Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:48 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: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 32 9 3321 1458 224 Max 58 33 11 3327 1487 229 Sum 2029 1159 337 119621 52825 8125 bravais-lattice index = 14 lattice parameter (alat) = 9.5053 a.u. unit-cell volume = 1215.4439 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.505322 celldm(2)= 1.000000 celldm(3)= 1.634195 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 1.634195 ) 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 0.611922 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( -0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( -0.8170974 ) 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 ) ( -0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( -0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( 0.8170974 ) 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 ) ( -0.8170974 ) 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 ) ( -0.8170974 ) 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0037175 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0037175 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0037175 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0037175 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0037175 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0037175 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0037175 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0037175 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0037175 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0037175 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0037175 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0037175 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0037175 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0037175 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0037175 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0037175 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0037175 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0037175 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0037175 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0037175 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0037175 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0037175 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0037175 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0037175 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0037175 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0037175 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0037175 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0037175 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0037175 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0037175 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 40) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0037175 k( 41) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0037175 k( 42) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0037175 k( 43) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0037175 k( 44) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0037175 k( 45) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0037175 k( 46) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037175 k( 47) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0037175 k( 48) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0037175 k( 49) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0037175 k( 50) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0037175 k( 51) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0037175 k( 52) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0037175 k( 53) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037175 k( 54) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0037175 k( 55) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0037175 k( 56) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0037175 k( 57) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0037175 k( 65) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0037175 k( 66) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0037175 k( 67) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0037175 k( 68) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0037175 k( 69) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0037175 k( 70) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0037175 k( 71) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0037175 k( 72) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0037175 k( 73) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0037175 k( 74) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0037175 k( 75) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0037175 k( 76) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0037175 k( 77) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0037175 k( 78) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0037175 k( 79) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0037175 k( 80) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0037175 k( 81) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0037175 k( 82) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037175 k( 83) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0037175 k( 84) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0037175 k( 85) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0037175 k( 86) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0037175 k( 87) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0037175 k( 88) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0037175 k( 89) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0037175 k( 90) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0037175 k( 91) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0037175 k( 92) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0037175 k( 93) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0037175 k( 94) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0037175 k( 95) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0037175 k( 96) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0037175 k( 97) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0037175 k( 98) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0037175 k( 99) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0037175 k( 100) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0037175 k( 101) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0037175 k( 102) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0037175 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 105) = ( 0.0000000 0.0000000 0.0152981), wk = 0.0037175 k( 106) = ( 0.0000000 0.0000000 0.0305961), wk = 0.0037175 k( 107) = ( 0.0000000 0.0000000 0.0458942), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.0611922), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.0764903), wk = 0.0037175 k( 110) = ( 0.0000000 0.0000000 0.0917883), wk = 0.0037175 k( 111) = ( 0.0000000 0.0000000 0.1070864), wk = 0.0037175 k( 112) = ( 0.0000000 0.0000000 0.1223844), wk = 0.0037175 k( 113) = ( 0.0000000 0.0000000 0.1376825), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.1529805), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.1682786), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.1835766), wk = 0.0037175 k( 117) = ( 0.0000000 0.0000000 0.1988747), wk = 0.0037175 k( 118) = ( 0.0000000 0.0000000 0.2141727), wk = 0.0037175 k( 119) = ( 0.0000000 0.0000000 0.2294708), wk = 0.0037175 k( 120) = ( 0.0000000 0.0000000 0.2447689), wk = 0.0037175 k( 121) = ( 0.0000000 0.0000000 0.2600669), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.2753650), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.2906630), wk = 0.0037175 k( 124) = ( 0.0000000 0.0000000 0.3059611), wk = 0.0037175 k( 125) = ( 0.0000000 0.0000000 0.3059611), wk = 0.0037175 k( 126) = ( 0.0135135 0.0078020 0.3059611), wk = 0.0037175 k( 127) = ( 0.0270270 0.0156041 0.3059611), wk = 0.0037175 k( 128) = ( 0.0405405 0.0234061 0.3059611), wk = 0.0037175 k( 129) = ( 0.0540540 0.0312081 0.3059611), wk = 0.0037175 k( 130) = ( 0.0675676 0.0390102 0.3059611), wk = 0.0037175 k( 131) = ( 0.0810811 0.0468122 0.3059611), wk = 0.0037175 k( 132) = ( 0.0945946 0.0546142 0.3059611), wk = 0.0037175 k( 133) = ( 0.1081081 0.0624162 0.3059611), wk = 0.0037175 k( 134) = ( 0.1216216 0.0702183 0.3059611), wk = 0.0037175 k( 135) = ( 0.1351351 0.0780203 0.3059611), wk = 0.0037175 k( 136) = ( 0.1486486 0.0858223 0.3059611), wk = 0.0037175 k( 137) = ( 0.1621622 0.0936244 0.3059611), wk = 0.0037175 k( 138) = ( 0.1756757 0.1014264 0.3059611), wk = 0.0037175 k( 139) = ( 0.1891892 0.1092284 0.3059611), wk = 0.0037175 k( 140) = ( 0.2027027 0.1170305 0.3059611), wk = 0.0037175 k( 141) = ( 0.2162162 0.1248325 0.3059611), wk = 0.0037175 k( 142) = ( 0.2297297 0.1326345 0.3059611), wk = 0.0037175 k( 143) = ( 0.2432432 0.1404366 0.3059611), wk = 0.0037175 k( 144) = ( 0.2567568 0.1482386 0.3059611), wk = 0.0037175 k( 145) = ( 0.2702703 0.1560406 0.3059611), wk = 0.0037175 k( 146) = ( 0.2837838 0.1638426 0.3059611), wk = 0.0037175 k( 147) = ( 0.2972973 0.1716447 0.3059611), wk = 0.0037175 k( 148) = ( 0.3108108 0.1794467 0.3059611), wk = 0.0037175 k( 149) = ( 0.3243243 0.1872487 0.3059611), wk = 0.0037175 k( 150) = ( 0.3378378 0.1950508 0.3059611), wk = 0.0037175 k( 151) = ( 0.3513514 0.2028528 0.3059611), wk = 0.0037175 k( 152) = ( 0.3648649 0.2106548 0.3059611), wk = 0.0037175 k( 153) = ( 0.3783784 0.2184569 0.3059611), wk = 0.0037175 k( 154) = ( 0.3918919 0.2262589 0.3059611), wk = 0.0037175 k( 155) = ( 0.4054054 0.2340609 0.3059611), wk = 0.0037175 k( 156) = ( 0.4189189 0.2418630 0.3059611), wk = 0.0037175 k( 157) = ( 0.4324324 0.2496650 0.3059611), wk = 0.0037175 k( 158) = ( 0.4459459 0.2574670 0.3059611), wk = 0.0037175 k( 159) = ( 0.4594595 0.2652690 0.3059611), wk = 0.0037175 k( 160) = ( 0.4729730 0.2730711 0.3059611), wk = 0.0037175 k( 161) = ( 0.4864865 0.2808731 0.3059611), wk = 0.0037175 k( 162) = ( 0.5000000 0.2886751 0.3059611), wk = 0.0037175 k( 163) = ( 0.5000000 0.2886751 0.3059611), wk = 0.0037175 k( 164) = ( 0.4920635 0.3024216 0.3059611), wk = 0.0037175 k( 165) = ( 0.4841270 0.3161680 0.3059611), wk = 0.0037175 k( 166) = ( 0.4761905 0.3299144 0.3059611), wk = 0.0037175 k( 167) = ( 0.4682540 0.3436609 0.3059611), wk = 0.0037175 k( 168) = ( 0.4603175 0.3574073 0.3059611), wk = 0.0037175 k( 169) = ( 0.4523810 0.3711537 0.3059611), wk = 0.0037175 k( 170) = ( 0.4444444 0.3849002 0.3059611), wk = 0.0037175 k( 171) = ( 0.4365079 0.3986466 0.3059611), wk = 0.0037175 k( 172) = ( 0.4285714 0.4123930 0.3059611), wk = 0.0037175 k( 173) = ( 0.4206349 0.4261395 0.3059611), wk = 0.0037175 k( 174) = ( 0.4126984 0.4398859 0.3059611), wk = 0.0037175 k( 175) = ( 0.4047619 0.4536324 0.3059611), wk = 0.0037175 k( 176) = ( 0.3968254 0.4673788 0.3059611), wk = 0.0037175 k( 177) = ( 0.3888889 0.4811252 0.3059611), wk = 0.0037175 k( 178) = ( 0.3809524 0.4948717 0.3059611), wk = 0.0037175 k( 179) = ( 0.3730159 0.5086181 0.3059611), wk = 0.0037175 k( 180) = ( 0.3650794 0.5223645 0.3059611), wk = 0.0037175 k( 181) = ( 0.3571429 0.5361110 0.3059611), wk = 0.0037175 k( 182) = ( 0.3492063 0.5498574 0.3059611), wk = 0.0037175 k( 183) = ( 0.3412698 0.5636038 0.3059611), wk = 0.0037175 k( 184) = ( 0.3333333 0.5773503 0.3059611), wk = 0.0037175 k( 185) = ( 0.3333333 0.5773503 0.3059611), wk = 0.0037175 k( 186) = ( 0.3253968 0.5636038 0.3059611), wk = 0.0037175 k( 187) = ( 0.3174603 0.5498574 0.3059611), wk = 0.0037175 k( 188) = ( 0.3095238 0.5361110 0.3059611), wk = 0.0037175 k( 189) = ( 0.3015873 0.5223645 0.3059611), wk = 0.0037175 k( 190) = ( 0.2936508 0.5086181 0.3059611), wk = 0.0037175 k( 191) = ( 0.2857143 0.4948717 0.3059611), wk = 0.0037175 k( 192) = ( 0.2777778 0.4811252 0.3059611), wk = 0.0037175 k( 193) = ( 0.2698413 0.4673788 0.3059611), wk = 0.0037175 k( 194) = ( 0.2619048 0.4536324 0.3059611), wk = 0.0037175 k( 195) = ( 0.2539683 0.4398859 0.3059611), wk = 0.0037175 k( 196) = ( 0.2460317 0.4261395 0.3059611), wk = 0.0037175 k( 197) = ( 0.2380952 0.4123931 0.3059611), wk = 0.0037175 k( 198) = ( 0.2301587 0.3986466 0.3059611), wk = 0.0037175 k( 199) = ( 0.2222222 0.3849002 0.3059611), wk = 0.0037175 k( 200) = ( 0.2142857 0.3711537 0.3059611), wk = 0.0037175 k( 201) = ( 0.2063492 0.3574073 0.3059611), wk = 0.0037175 k( 202) = ( 0.1984127 0.3436609 0.3059611), wk = 0.0037175 k( 203) = ( 0.1904762 0.3299144 0.3059611), wk = 0.0037175 k( 204) = ( 0.1825397 0.3161680 0.3059611), wk = 0.0037175 k( 205) = ( 0.1746032 0.3024216 0.3059611), wk = 0.0037175 k( 206) = ( 0.1666667 0.2886751 0.3059611), wk = 0.0037175 k( 207) = ( 0.1587302 0.2749287 0.3059611), wk = 0.0037175 k( 208) = ( 0.1507937 0.2611823 0.3059611), wk = 0.0037175 k( 209) = ( 0.1428571 0.2474358 0.3059611), wk = 0.0037175 k( 210) = ( 0.1349206 0.2336894 0.3059611), wk = 0.0037175 k( 211) = ( 0.1269841 0.2199430 0.3059611), wk = 0.0037175 k( 212) = ( 0.1190476 0.2061965 0.3059611), wk = 0.0037175 k( 213) = ( 0.1111111 0.1924501 0.3059611), wk = 0.0037175 k( 214) = ( 0.1031746 0.1787036 0.3059611), wk = 0.0037175 k( 215) = ( 0.0952381 0.1649572 0.3059611), wk = 0.0037175 k( 216) = ( 0.0873016 0.1512108 0.3059611), wk = 0.0037175 k( 217) = ( 0.0793651 0.1374644 0.3059611), wk = 0.0037175 k( 218) = ( 0.0714286 0.1237179 0.3059611), wk = 0.0037175 k( 219) = ( 0.0634921 0.1099715 0.3059611), wk = 0.0037175 k( 220) = ( 0.0555556 0.0962251 0.3059611), wk = 0.0037175 k( 221) = ( 0.0476191 0.0824786 0.3059611), wk = 0.0037175 k( 222) = ( 0.0396825 0.0687322 0.3059611), wk = 0.0037175 k( 223) = ( 0.0317460 0.0549857 0.3059611), wk = 0.0037175 k( 224) = ( 0.0238095 0.0412393 0.3059611), wk = 0.0037175 k( 225) = ( 0.0158730 0.0274929 0.3059611), wk = 0.0037175 k( 226) = ( 0.0079365 0.0137464 0.3059611), wk = 0.0037175 k( 227) = ( 0.0000000 0.0000000 0.3059611), wk = 0.0037175 k( 228) = ( 0.5000000 0.2886751 0.3059611), wk = 0.0037175 k( 229) = ( 0.5000000 0.2886751 0.2906630), wk = 0.0037175 k( 230) = ( 0.5000000 0.2886751 0.2753650), wk = 0.0037175 k( 231) = ( 0.5000000 0.2886751 0.2600669), wk = 0.0037175 k( 232) = ( 0.5000000 0.2886751 0.2447689), wk = 0.0037175 k( 233) = ( 0.5000000 0.2886751 0.2294708), wk = 0.0037175 k( 234) = ( 0.5000000 0.2886751 0.2141727), wk = 0.0037175 k( 235) = ( 0.5000000 0.2886751 0.1988747), wk = 0.0037175 k( 236) = ( 0.5000000 0.2886751 0.1835766), wk = 0.0037175 k( 237) = ( 0.5000000 0.2886751 0.1682786), wk = 0.0037175 k( 238) = ( 0.5000000 0.2886751 0.1529805), wk = 0.0037175 k( 239) = ( 0.5000000 0.2886751 0.1376825), wk = 0.0037175 k( 240) = ( 0.5000000 0.2886751 0.1223844), wk = 0.0037175 k( 241) = ( 0.5000000 0.2886751 0.1070864), wk = 0.0037175 k( 242) = ( 0.5000000 0.2886751 0.0917883), wk = 0.0037175 k( 243) = ( 0.5000000 0.2886751 0.0764903), wk = 0.0037175 k( 244) = ( 0.5000000 0.2886751 0.0611922), wk = 0.0037175 k( 245) = ( 0.5000000 0.2886751 0.0458942), wk = 0.0037175 k( 246) = ( 0.5000000 0.2886751 0.0305961), wk = 0.0037175 k( 247) = ( 0.5000000 0.2886751 0.0152981), wk = 0.0037175 k( 248) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 249) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 250) = ( 0.3333333 0.5773503 0.0152981), wk = 0.0037175 k( 251) = ( 0.3333333 0.5773503 0.0305961), wk = 0.0037175 k( 252) = ( 0.3333333 0.5773503 0.0458942), wk = 0.0037175 k( 253) = ( 0.3333333 0.5773503 0.0611922), wk = 0.0037175 k( 254) = ( 0.3333333 0.5773503 0.0764903), wk = 0.0037175 k( 255) = ( 0.3333333 0.5773503 0.0917883), wk = 0.0037175 k( 256) = ( 0.3333333 0.5773503 0.1070864), wk = 0.0037175 k( 257) = ( 0.3333333 0.5773503 0.1223844), wk = 0.0037175 k( 258) = ( 0.3333333 0.5773503 0.1376825), wk = 0.0037175 k( 259) = ( 0.3333333 0.5773503 0.1529805), wk = 0.0037175 k( 260) = ( 0.3333333 0.5773503 0.1682786), wk = 0.0037175 k( 261) = ( 0.3333333 0.5773503 0.1835766), wk = 0.0037175 k( 262) = ( 0.3333333 0.5773503 0.1988747), wk = 0.0037175 k( 263) = ( 0.3333333 0.5773503 0.2141727), wk = 0.0037175 k( 264) = ( 0.3333333 0.5773503 0.2294708), wk = 0.0037175 k( 265) = ( 0.3333333 0.5773503 0.2447689), wk = 0.0037175 k( 266) = ( 0.3333333 0.5773503 0.2600669), wk = 0.0037175 k( 267) = ( 0.3333333 0.5773503 0.2753650), wk = 0.0037175 k( 268) = ( 0.3333333 0.5773503 0.2906630), wk = 0.0037175 k( 269) = ( 0.3333333 0.5773503 0.3059611), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0037175 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0037175 k( 4) = ( 0.0405405 0.0000000 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0540540 0.0000000 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0675676 -0.0000000 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0810811 0.0000000 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0945946 -0.0000000 -0.0000000), wk = 0.0037175 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0037175 k( 10) = ( 0.1216216 0.0000000 -0.0000000), wk = 0.0037175 k( 11) = ( 0.1351351 -0.0000000 -0.0000000), wk = 0.0037175 k( 12) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0037175 k( 13) = ( 0.1621622 0.0000000 -0.0000000), wk = 0.0037175 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0037175 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0037175 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0037175 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0037175 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0037175 k( 19) = ( 0.2432432 0.0000000 -0.0000000), wk = 0.0037175 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0037175 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0037175 k( 22) = ( 0.2837838 -0.0000000 -0.0000000), wk = 0.0037175 k( 23) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0037175 k( 24) = ( 0.3108108 0.0000000 -0.0000000), wk = 0.0037175 k( 25) = ( 0.3243243 0.0000000 -0.0000000), wk = 0.0037175 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0037175 k( 27) = ( 0.3513514 0.0000000 -0.0000000), wk = 0.0037175 k( 28) = ( 0.3648649 0.0000000 -0.0000000), wk = 0.0037175 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0037175 k( 30) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0037175 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0037175 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0037175 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0037175 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0037175 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0037175 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0037175 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0037175 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037175 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037175 k( 40) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0037175 k( 41) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0037175 k( 42) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0037175 k( 43) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0037175 k( 44) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0037175 k( 45) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0037175 k( 46) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0037175 k( 47) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0037175 k( 48) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0037175 k( 49) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0037175 k( 50) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0037175 k( 51) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0037175 k( 52) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0037175 k( 53) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0037175 k( 54) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0037175 k( 55) = ( 0.3730159 0.2539683 0.0000000), wk = 0.0037175 k( 56) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0037175 k( 57) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0037175 k( 58) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0037175 k( 59) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0037175 k( 65) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0037175 k( 66) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0037175 k( 67) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037175 k( 68) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0037175 k( 69) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0037175 k( 70) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0037175 k( 71) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0037175 k( 72) = ( 0.2460317 0.2460318 0.0000000), wk = 0.0037175 k( 73) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0037175 k( 74) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0037175 k( 75) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0037175 k( 76) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037175 k( 77) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0037175 k( 78) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0037175 k( 79) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0037175 k( 80) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0037175 k( 81) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0037175 k( 82) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0037175 k( 83) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0037175 k( 84) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0037175 k( 85) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0037175 k( 86) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0037175 k( 87) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0037175 k( 88) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0037175 k( 89) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0037175 k( 90) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0037175 k( 91) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0037175 k( 92) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0037175 k( 93) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0037175 k( 94) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0037175 k( 95) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0037175 k( 96) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0037175 k( 97) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0037175 k( 98) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0037175 k( 99) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0037175 k( 100) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0037175 k( 101) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0037175 k( 102) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0037175 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 104) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 105) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0037175 k( 106) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0037175 k( 107) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0037175 k( 110) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0037175 k( 111) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0037175 k( 112) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0037175 k( 113) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0037175 k( 117) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0037175 k( 118) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0037175 k( 119) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0037175 k( 120) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0037175 k( 121) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0037175 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 126) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0037175 k( 127) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0037175 k( 128) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0037175 k( 129) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0037175 k( 130) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0037175 k( 131) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0037175 k( 132) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0037175 k( 133) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0037175 k( 134) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0037175 k( 135) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0037175 k( 136) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0037175 k( 137) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0037175 k( 138) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0037175 k( 139) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0037175 k( 140) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0037175 k( 141) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0037175 k( 142) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0037175 k( 143) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0037175 k( 144) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0037175 k( 145) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0037175 k( 146) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0037175 k( 147) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0037175 k( 148) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0037175 k( 149) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0037175 k( 150) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0037175 k( 151) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0037175 k( 152) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0037175 k( 153) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0037175 k( 154) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0037175 k( 155) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0037175 k( 156) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0037175 k( 157) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0037175 k( 158) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0037175 k( 159) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0037175 k( 160) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0037175 k( 161) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0037175 k( 162) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 163) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 164) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0037175 k( 165) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0037175 k( 166) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0037175 k( 167) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0037175 k( 168) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0037175 k( 169) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0037175 k( 170) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037175 k( 171) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0037175 k( 172) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0037175 k( 173) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0037175 k( 174) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0037175 k( 175) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0037175 k( 176) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0037175 k( 177) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037175 k( 178) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0037175 k( 179) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0037175 k( 180) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0037175 k( 181) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0037175 k( 182) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0037175 k( 183) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0037175 k( 184) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 k( 185) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 k( 186) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0037175 k( 187) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0037175 k( 188) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0037175 k( 189) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0037175 k( 190) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0037175 k( 191) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0037175 k( 192) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0037175 k( 193) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0037175 k( 194) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0037175 k( 195) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0037175 k( 196) = ( 0.2460317 0.2460318 0.5000000), wk = 0.0037175 k( 197) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0037175 k( 198) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0037175 k( 199) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0037175 k( 200) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0037175 k( 201) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0037175 k( 202) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0037175 k( 203) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0037175 k( 204) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0037175 k( 205) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0037175 k( 206) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037175 k( 207) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0037175 k( 208) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0037175 k( 209) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0037175 k( 210) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0037175 k( 211) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0037175 k( 212) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0037175 k( 213) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0037175 k( 214) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0037175 k( 215) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0037175 k( 216) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0037175 k( 217) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0037175 k( 218) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0037175 k( 219) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0037175 k( 220) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0037175 k( 221) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0037175 k( 222) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0037175 k( 223) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0037175 k( 224) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0037175 k( 225) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0037175 k( 226) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0037175 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 229) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0037175 k( 230) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0037175 k( 231) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0037175 k( 232) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0037175 k( 233) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0037175 k( 234) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0037175 k( 235) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0037175 k( 236) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0037175 k( 237) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0037175 k( 238) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0037175 k( 239) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0037175 k( 240) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0037175 k( 241) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0037175 k( 242) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0037175 k( 243) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0037175 k( 244) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0037175 k( 245) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0037175 k( 246) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0037175 k( 247) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0037175 k( 248) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0037175 k( 249) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 250) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0037175 k( 251) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0037175 k( 252) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0037175 k( 253) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0037175 k( 254) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0037175 k( 255) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0037175 k( 256) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0037175 k( 257) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0037175 k( 258) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0037175 k( 259) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0037175 k( 260) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0037175 k( 261) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0037175 k( 262) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0037175 k( 263) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0037175 k( 264) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0037175 k( 265) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0037175 k( 266) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0037175 k( 267) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0037175 k( 268) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0037175 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 Dense grid: 119621 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 52825 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 370, 76) NL pseudopotentials 0.70 Mb ( 185, 248) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3324) G-vector shells 0.01 Mb ( 1521) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.72 Mb ( 370, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.58 Mb ( 248, 2, 76) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.4 secs Computing kpt #: 9 total cpu time spent up to now is 11.4 secs Computing kpt #: 10 total cpu time spent up to now is 12.4 secs Computing kpt #: 11 total cpu time spent up to now is 13.6 secs Computing kpt #: 12 total cpu time spent up to now is 14.7 secs Computing kpt #: 13 total cpu time spent up to now is 15.9 secs Computing kpt #: 14 total cpu time spent up to now is 16.9 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 23.1 secs Computing kpt #: 18 total cpu time spent up to now is 26.0 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 20 total cpu time spent up to now is 31.1 secs Computing kpt #: 21 total cpu time spent up to now is 33.4 secs Computing kpt #: 22 total cpu time spent up to now is 35.7 secs Computing kpt #: 23 total cpu time spent up to now is 37.8 secs Computing kpt #: 24 total cpu time spent up to now is 39.5 secs Computing kpt #: 25 total cpu time spent up to now is 41.4 secs Computing kpt #: 26 total cpu time spent up to now is 43.0 secs Computing kpt #: 27 total cpu time spent up to now is 44.7 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 47.9 secs Computing kpt #: 30 total cpu time spent up to now is 49.6 secs Computing kpt #: 31 total cpu time spent up to now is 51.1 secs Computing kpt #: 32 total cpu time spent up to now is 52.5 secs Computing kpt #: 33 total cpu time spent up to now is 54.0 secs Computing kpt #: 34 total cpu time spent up to now is 55.4 secs Computing kpt #: 35 total cpu time spent up to now is 56.8 secs Computing kpt #: 36 total cpu time spent up to now is 58.1 secs Computing kpt #: 37 total cpu time spent up to now is 59.4 secs Computing kpt #: 38 total cpu time spent up to now is 60.7 secs Computing kpt #: 39 total cpu time spent up to now is 62.0 secs Computing kpt #: 40 total cpu time spent up to now is 63.3 secs Computing kpt #: 41 total cpu time spent up to now is 64.6 secs Computing kpt #: 42 total cpu time spent up to now is 65.9 secs Computing kpt #: 43 total cpu time spent up to now is 67.3 secs Computing kpt #: 44 total cpu time spent up to now is 68.7 secs Computing kpt #: 45 total cpu time spent up to now is 70.2 secs Computing kpt #: 46 total cpu time spent up to now is 71.6 secs Computing kpt #: 47 total cpu time spent up to now is 73.1 secs Computing kpt #: 48 total cpu time spent up to now is 74.6 secs Computing kpt #: 49 total cpu time spent up to now is 76.1 secs Computing kpt #: 50 total cpu time spent up to now is 77.6 secs Computing kpt #: 51 total cpu time spent up to now is 79.2 secs Computing kpt #: 52 total cpu time spent up to now is 80.8 secs Computing kpt #: 53 total cpu time spent up to now is 82.4 secs Computing kpt #: 54 total cpu time spent up to now is 84.9 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.9 secs Computing kpt #: 56 total cpu time spent up to now is 90.8 secs Computing kpt #: 57 total cpu time spent up to now is 92.9 secs Computing kpt #: 58 total cpu time spent up to now is 94.7 secs Computing kpt #: 59 total cpu time spent up to now is 96.5 secs Computing kpt #: 60 total cpu time spent up to now is 98.6 secs Computing kpt #: 61 total cpu time spent up to now is 100.8 secs Computing kpt #: 62 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.8 secs Computing kpt #: 63 total cpu time spent up to now is 106.6 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.6 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 66 total cpu time spent up to now is 114.4 secs Computing kpt #: 67 total cpu time spent up to now is 116.2 secs Computing kpt #: 68 total cpu time spent up to now is 118.0 secs Computing kpt #: 69 total cpu time spent up to now is 119.6 secs Computing kpt #: 70 total cpu time spent up to now is 121.4 secs Computing kpt #: 71 total cpu time spent up to now is 123.0 secs Computing kpt #: 72 total cpu time spent up to now is 124.5 secs Computing kpt #: 73 total cpu time spent up to now is 126.0 secs Computing kpt #: 74 total cpu time spent up to now is 127.6 secs Computing kpt #: 75 total cpu time spent up to now is 129.2 secs Computing kpt #: 76 total cpu time spent up to now is 130.7 secs Computing kpt #: 77 total cpu time spent up to now is 132.2 secs Computing kpt #: 78 total cpu time spent up to now is 133.8 secs Computing kpt #: 79 total cpu time spent up to now is 135.4 secs Computing kpt #: 80 total cpu time spent up to now is 137.0 secs Computing kpt #: 81 total cpu time spent up to now is 139.2 secs Computing kpt #: 82 total cpu time spent up to now is 140.9 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.8 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.9 secs Computing kpt #: 85 total cpu time spent up to now is 150.2 secs Computing kpt #: 86 total cpu time spent up to now is 152.6 secs Computing kpt #: 87 total cpu time spent up to now is 154.6 secs Computing kpt #: 88 total cpu time spent up to now is 156.3 secs Computing kpt #: 89 total cpu time spent up to now is 157.9 secs Computing kpt #: 90 total cpu time spent up to now is 159.6 secs Computing kpt #: 91 total cpu time spent up to now is 161.5 secs Computing kpt #: 92 total cpu time spent up to now is 163.0 secs Computing kpt #: 93 total cpu time spent up to now is 164.5 secs Computing kpt #: 94 total cpu time spent up to now is 165.9 secs Computing kpt #: 95 total cpu time spent up to now is 167.2 secs Computing kpt #: 96 total cpu time spent up to now is 168.4 secs Computing kpt #: 97 total cpu time spent up to now is 169.5 secs Computing kpt #: 98 total cpu time spent up to now is 170.7 secs Computing kpt #: 99 total cpu time spent up to now is 171.7 secs Computing kpt #: 100 total cpu time spent up to now is 172.7 secs Computing kpt #: 101 total cpu time spent up to now is 173.7 secs Computing kpt #: 102 total cpu time spent up to now is 174.8 secs Computing kpt #: 103 total cpu time spent up to now is 175.8 secs Computing kpt #: 104 total cpu time spent up to now is 176.8 secs Computing kpt #: 105 total cpu time spent up to now is 177.8 secs Computing kpt #: 106 total cpu time spent up to now is 178.8 secs Computing kpt #: 107 total cpu time spent up to now is 179.8 secs Computing kpt #: 108 total cpu time spent up to now is 181.2 secs Computing kpt #: 109 total cpu time spent up to now is 182.5 secs Computing kpt #: 110 total cpu time spent up to now is 183.9 secs Computing kpt #: 111 total cpu time spent up to now is 185.1 secs Computing kpt #: 112 total cpu time spent up to now is 186.5 secs Computing kpt #: 113 total cpu time spent up to now is 187.9 secs Computing kpt #: 114 total cpu time spent up to now is 189.2 secs Computing kpt #: 115 total cpu time spent up to now is 190.6 secs Computing kpt #: 116 total cpu time spent up to now is 191.9 secs Computing kpt #: 117 total cpu time spent up to now is 193.3 secs Computing kpt #: 118 total cpu time spent up to now is 194.8 secs Computing kpt #: 119 total cpu time spent up to now is 196.2 secs Computing kpt #: 120 total cpu time spent up to now is 197.6 secs Computing kpt #: 121 total cpu time spent up to now is 199.2 secs Computing kpt #: 122 total cpu time spent up to now is 200.9 secs Computing kpt #: 123 total cpu time spent up to now is 203.0 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.1 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.1 secs Computing kpt #: 127 total cpu time spent up to now is 214.3 secs Computing kpt #: 128 total cpu time spent up to now is 216.4 secs Computing kpt #: 129 total cpu time spent up to now is 218.4 secs Computing kpt #: 130 total cpu time spent up to now is 220.3 secs Computing kpt #: 131 total cpu time spent up to now is 222.2 secs Computing kpt #: 132 total cpu time spent up to now is 223.8 secs Computing kpt #: 133 total cpu time spent up to now is 225.5 secs Computing kpt #: 134 total cpu time spent up to now is 227.1 secs Computing kpt #: 135 total cpu time spent up to now is 228.8 secs Computing kpt #: 136 total cpu time spent up to now is 230.3 secs Computing kpt #: 137 total cpu time spent up to now is 231.9 secs Computing kpt #: 138 total cpu time spent up to now is 233.4 secs Computing kpt #: 139 total cpu time spent up to now is 234.9 secs Computing kpt #: 140 total cpu time spent up to now is 236.4 secs Computing kpt #: 141 total cpu time spent up to now is 237.9 secs Computing kpt #: 142 total cpu time spent up to now is 239.3 secs Computing kpt #: 143 total cpu time spent up to now is 240.7 secs Computing kpt #: 144 total cpu time spent up to now is 242.1 secs Computing kpt #: 145 total cpu time spent up to now is 243.6 secs Computing kpt #: 146 total cpu time spent up to now is 245.0 secs Computing kpt #: 147 total cpu time spent up to now is 246.5 secs Computing kpt #: 148 total cpu time spent up to now is 247.9 secs Computing kpt #: 149 total cpu time spent up to now is 249.4 secs Computing kpt #: 150 total cpu time spent up to now is 250.9 secs Computing kpt #: 151 total cpu time spent up to now is 252.4 secs Computing kpt #: 152 total cpu time spent up to now is 253.9 secs Computing kpt #: 153 total cpu time spent up to now is 255.4 secs Computing kpt #: 154 total cpu time spent up to now is 256.9 secs Computing kpt #: 155 total cpu time spent up to now is 258.4 secs Computing kpt #: 156 total cpu time spent up to now is 259.8 secs Computing kpt #: 157 total cpu time spent up to now is 261.3 secs Computing kpt #: 158 total cpu time spent up to now is 262.7 secs Computing kpt #: 159 total cpu time spent up to now is 264.1 secs Computing kpt #: 160 total cpu time spent up to now is 265.5 secs Computing kpt #: 161 total cpu time spent up to now is 266.9 secs Computing kpt #: 162 total cpu time spent up to now is 268.3 secs Computing kpt #: 163 total cpu time spent up to now is 269.7 secs Computing kpt #: 164 total cpu time spent up to now is 271.1 secs Computing kpt #: 165 total cpu time spent up to now is 272.6 secs Computing kpt #: 166 total cpu time spent up to now is 274.0 secs Computing kpt #: 167 total cpu time spent up to now is 275.5 secs Computing kpt #: 168 total cpu time spent up to now is 276.9 secs Computing kpt #: 169 total cpu time spent up to now is 278.3 secs Computing kpt #: 170 total cpu time spent up to now is 279.8 secs Computing kpt #: 171 total cpu time spent up to now is 281.2 secs Computing kpt #: 172 total cpu time spent up to now is 282.6 secs Computing kpt #: 173 total cpu time spent up to now is 284.1 secs Computing kpt #: 174 total cpu time spent up to now is 285.5 secs Computing kpt #: 175 total cpu time spent up to now is 287.0 secs Computing kpt #: 176 total cpu time spent up to now is 288.4 secs Computing kpt #: 177 total cpu time spent up to now is 289.9 secs Computing kpt #: 178 total cpu time spent up to now is 291.3 secs Computing kpt #: 179 total cpu time spent up to now is 292.7 secs Computing kpt #: 180 total cpu time spent up to now is 294.1 secs Computing kpt #: 181 total cpu time spent up to now is 295.4 secs Computing kpt #: 182 total cpu time spent up to now is 296.7 secs Computing kpt #: 183 total cpu time spent up to now is 297.8 secs Computing kpt #: 184 total cpu time spent up to now is 299.0 secs Computing kpt #: 185 total cpu time spent up to now is 300.1 secs Computing kpt #: 186 total cpu time spent up to now is 301.3 secs Computing kpt #: 187 total cpu time spent up to now is 302.4 secs Computing kpt #: 188 total cpu time spent up to now is 303.7 secs Computing kpt #: 189 total cpu time spent up to now is 305.1 secs Computing kpt #: 190 total cpu time spent up to now is 306.4 secs Computing kpt #: 191 total cpu time spent up to now is 307.8 secs Computing kpt #: 192 total cpu time spent up to now is 309.3 secs Computing kpt #: 193 total cpu time spent up to now is 310.8 secs Computing kpt #: 194 total cpu time spent up to now is 312.3 secs Computing kpt #: 195 total cpu time spent up to now is 313.7 secs Computing kpt #: 196 total cpu time spent up to now is 315.2 secs Computing kpt #: 197 total cpu time spent up to now is 316.6 secs Computing kpt #: 198 total cpu time spent up to now is 318.1 secs Computing kpt #: 199 total cpu time spent up to now is 319.6 secs Computing kpt #: 200 total cpu time spent up to now is 321.0 secs Computing kpt #: 201 total cpu time spent up to now is 322.5 secs Computing kpt #: 202 total cpu time spent up to now is 323.9 secs Computing kpt #: 203 total cpu time spent up to now is 325.4 secs Computing kpt #: 204 total cpu time spent up to now is 326.8 secs Computing kpt #: 205 total cpu time spent up to now is 328.3 secs Computing kpt #: 206 total cpu time spent up to now is 329.8 secs Computing kpt #: 207 total cpu time spent up to now is 331.3 secs Computing kpt #: 208 total cpu time spent up to now is 332.8 secs Computing kpt #: 209 total cpu time spent up to now is 334.3 secs Computing kpt #: 210 total cpu time spent up to now is 335.7 secs Computing kpt #: 211 total cpu time spent up to now is 337.2 secs Computing kpt #: 212 total cpu time spent up to now is 338.7 secs Computing kpt #: 213 total cpu time spent up to now is 340.2 secs Computing kpt #: 214 total cpu time spent up to now is 341.8 secs Computing kpt #: 215 total cpu time spent up to now is 343.3 secs Computing kpt #: 216 total cpu time spent up to now is 344.9 secs Computing kpt #: 217 total cpu time spent up to now is 346.6 secs Computing kpt #: 218 total cpu time spent up to now is 348.2 secs Computing kpt #: 219 total cpu time spent up to now is 349.9 secs Computing kpt #: 220 total cpu time spent up to now is 351.6 secs Computing kpt #: 221 total cpu time spent up to now is 353.3 secs Computing kpt #: 222 total cpu time spent up to now is 355.1 secs Computing kpt #: 223 total cpu time spent up to now is 356.9 secs Computing kpt #: 224 total cpu time spent up to now is 359.0 secs Computing kpt #: 225 total cpu time spent up to now is 361.2 secs Computing kpt #: 226 total cpu time spent up to now is 364.1 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.1 secs Computing kpt #: 228 total cpu time spent up to now is 368.5 secs Computing kpt #: 229 total cpu time spent up to now is 369.9 secs Computing kpt #: 230 total cpu time spent up to now is 371.3 secs Computing kpt #: 231 total cpu time spent up to now is 372.8 secs Computing kpt #: 232 total cpu time spent up to now is 374.2 secs Computing kpt #: 233 total cpu time spent up to now is 375.6 secs Computing kpt #: 234 total cpu time spent up to now is 377.1 secs Computing kpt #: 235 total cpu time spent up to now is 378.6 secs Computing kpt #: 236 total cpu time spent up to now is 380.1 secs Computing kpt #: 237 total cpu time spent up to now is 381.7 secs Computing kpt #: 238 total cpu time spent up to now is 383.3 secs Computing kpt #: 239 total cpu time spent up to now is 384.7 secs Computing kpt #: 240 total cpu time spent up to now is 386.3 secs Computing kpt #: 241 total cpu time spent up to now is 387.9 secs Computing kpt #: 242 total cpu time spent up to now is 389.3 secs Computing kpt #: 243 total cpu time spent up to now is 390.8 secs Computing kpt #: 244 total cpu time spent up to now is 392.3 secs Computing kpt #: 245 total cpu time spent up to now is 393.8 secs Computing kpt #: 246 total cpu time spent up to now is 395.2 secs Computing kpt #: 247 total cpu time spent up to now is 396.5 secs Computing kpt #: 248 total cpu time spent up to now is 397.8 secs Computing kpt #: 249 total cpu time spent up to now is 399.7 secs Computing kpt #: 250 total cpu time spent up to now is 401.8 secs Computing kpt #: 251 total cpu time spent up to now is 404.3 secs Computing kpt #: 252 total cpu time spent up to now is 406.2 secs Computing kpt #: 253 total cpu time spent up to now is 408.4 secs Computing kpt #: 254 total cpu time spent up to now is 410.3 secs Computing kpt #: 255 total cpu time spent up to now is 412.2 secs Computing kpt #: 256 total cpu time spent up to now is 413.9 secs Computing kpt #: 257 total cpu time spent up to now is 415.6 secs Computing kpt #: 258 total cpu time spent up to now is 417.2 secs Computing kpt #: 259 total cpu time spent up to now is 418.6 secs Computing kpt #: 260 total cpu time spent up to now is 420.0 secs Computing kpt #: 261 total cpu time spent up to now is 421.3 secs Computing kpt #: 262 total cpu time spent up to now is 422.7 secs Computing kpt #: 263 total cpu time spent up to now is 423.9 secs Computing kpt #: 264 total cpu time spent up to now is 425.1 secs Computing kpt #: 265 total cpu time spent up to now is 426.2 secs Computing kpt #: 266 total cpu time spent up to now is 427.4 secs Computing kpt #: 267 total cpu time spent up to now is 428.6 secs Computing kpt #: 268 total cpu time spent up to now is 429.7 secs Computing kpt #: 269 total cpu time spent up to now is 430.8 secs ethr = 1.56E-08, avg # of iterations = 43.9 total cpu time spent up to now is 430.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6627 PWs) bands (ev): -18.9648 -18.9648 -18.4999 -18.4999 -17.3945 -17.3945 -16.6390 -16.6390 -16.6259 -16.6259 -16.6257 -16.6257 -16.6069 -16.6069 -16.6047 -16.6047 -9.3469 -9.3469 -8.1469 -8.1469 -5.6450 -5.6450 -5.2192 -5.2192 -5.2014 -5.2014 -5.1946 -5.1946 -4.9013 -4.9013 -4.8906 -4.8906 -2.3921 -2.3921 -1.9312 -1.9312 -1.9312 -1.9312 -1.5865 -1.5865 -1.5785 -1.5785 -1.2177 -1.2177 -1.1917 -1.1917 -1.1760 -1.1760 -1.1625 -1.1625 -1.1561 -1.1561 -0.0120 -0.0120 -0.0030 -0.0030 1.0955 1.0955 1.1102 1.1102 1.1298 1.1298 1.1391 1.1391 6.8092 6.8092 9.3783 9.3783 9.5936 9.5936 9.9169 9.9169 10.8259 10.8259 10.8474 10.8474 k = 0.0135 0.0078-0.0000 ( 6627 PWs) bands (ev): -18.9643 -18.9643 -18.4993 -18.4993 -17.3952 -17.3952 -16.6391 -16.6391 -16.6262 -16.6262 -16.6257 -16.6257 -16.6072 -16.6072 -16.6052 -16.6052 -9.3452 -9.3452 -8.1454 -8.1454 -5.6473 -5.6473 -5.2191 -5.2191 -5.2014 -5.2014 -5.1942 -5.1942 -4.9003 -4.9003 -4.8895 -4.8895 -2.3922 -2.3922 -1.9316 -1.9316 -1.9311 -1.9311 -1.5866 -1.5866 -1.5786 -1.5786 -1.2204 -1.2204 -1.1984 -1.1984 -1.1694 -1.1694 -1.1636 -1.1636 -1.1524 -1.1524 -0.0131 -0.0131 -0.0039 -0.0039 1.0947 1.0947 1.1095 1.1095 1.1283 1.1283 1.1374 1.1374 6.8115 6.8115 9.3790 9.3790 9.5959 9.5959 9.9186 9.9186 10.8272 10.8272 10.8488 10.8488 k = 0.0270 0.0156-0.0000 ( 6640 PWs) bands (ev): -18.9627 -18.9627 -18.4975 -18.4975 -17.3974 -17.3974 -16.6392 -16.6392 -16.6274 -16.6274 -16.6259 -16.6259 -16.6087 -16.6087 -16.6059 -16.6059 -9.3402 -9.3402 -8.1408 -8.1408 -5.6544 -5.6544 -5.2192 -5.2192 -5.2014 -5.2014 -5.1930 -5.1930 -4.8975 -4.8975 -4.8863 -4.8863 -2.3927 -2.3927 -1.9331 -1.9331 -1.9309 -1.9309 -1.5870 -1.5870 -1.5784 -1.5784 -1.2280 -1.2280 -1.2096 -1.2096 -1.1647 -1.1647 -1.1583 -1.1583 -1.1443 -1.1443 -0.0167 -0.0167 -0.0060 -0.0060 1.0920 1.0920 1.1074 1.1074 1.1239 1.1239 1.1325 1.1325 6.8184 6.8184 9.3812 9.3812 9.6026 9.6026 9.9239 9.9239 10.8307 10.8307 10.8531 10.8531 k = 0.0405 0.0234-0.0000 ( 6638 PWs) bands (ev): -18.9601 -18.9601 -18.4947 -18.4947 -17.4011 -17.4011 -16.6395 -16.6395 -16.6298 -16.6298 -16.6263 -16.6263 -16.6115 -16.6115 -16.6063 -16.6063 -9.3320 -9.3320 -8.1331 -8.1331 -5.6659 -5.6659 -5.2198 -5.2198 -5.2008 -5.2008 -5.1908 -5.1908 -4.8935 -4.8935 -4.8805 -4.8805 -2.3935 -2.3935 -1.9356 -1.9356 -1.9305 -1.9305 -1.5884 -1.5884 -1.5776 -1.5776 -1.2392 -1.2392 -1.2213 -1.2213 -1.1652 -1.1652 -1.1463 -1.1463 -1.1339 -1.1339 -0.0240 -0.0240 -0.0082 -0.0082 1.0867 1.0867 1.1034 1.1034 1.1175 1.1175 1.1246 1.1246 6.8298 6.8298 9.3848 9.3848 9.6137 9.6137 9.9326 9.9326 10.8355 10.8355 10.8614 10.8614 k = 0.0541 0.0312-0.0000 ( 6634 PWs) bands (ev): -18.9565 -18.9565 -18.4906 -18.4906 -17.4062 -17.4062 -16.6398 -16.6398 -16.6344 -16.6344 -16.6267 -16.6267 -16.6144 -16.6144 -16.6066 -16.6066 -9.3204 -9.3204 -8.1223 -8.1223 -5.6818 -5.6818 -5.2218 -5.2218 -5.1991 -5.1991 -5.1876 -5.1876 -4.8886 -4.8886 -4.8720 -4.8720 -2.3947 -2.3947 -1.9389 -1.9389 -1.9300 -1.9300 -1.5910 -1.5910 -1.5757 -1.5757 -1.2537 -1.2537 -1.2329 -1.2329 -1.1654 -1.1654 -1.1338 -1.1338 -1.1217 -1.1217 -0.0349 -0.0349 -0.0104 -0.0104 1.0785 1.0785 1.0955 1.0955 1.1098 1.1098 1.1157 1.1157 6.8457 6.8457 9.3898 9.3898 9.6292 9.6292 9.9446 9.9446 10.8406 10.8406 10.8743 10.8743 k = 0.0676 0.0390-0.0000 ( 6624 PWs) bands (ev): -18.9518 -18.9518 -18.4855 -18.4855 -17.4128 -17.4128 -16.6418 -16.6418 -16.6403 -16.6403 -16.6273 -16.6273 -16.6167 -16.6167 -16.6069 -16.6069 -9.3057 -9.3057 -8.1086 -8.1086 -5.7015 -5.7015 -5.2255 -5.2255 -5.1959 -5.1959 -5.1835 -5.1835 -4.8830 -4.8830 -4.8610 -4.8610 -2.3961 -2.3961 -1.9432 -1.9432 -1.9292 -1.9292 -1.5947 -1.5947 -1.5728 -1.5728 -1.2709 -1.2709 -1.2442 -1.2442 -1.1655 -1.1655 -1.1208 -1.1208 -1.1081 -1.1081 -0.0493 -0.0493 -0.0129 -0.0129 1.0672 1.0672 1.0823 1.0823 1.0966 1.0966 1.1118 1.1118 6.8660 6.8660 9.3962 9.3962 9.6490 9.6490 9.9600 9.9600 10.8460 10.8460 10.8919 10.8919 k = 0.0811 0.0468-0.0000 ( 6630 PWs) bands (ev): -18.9461 -18.9461 -18.4791 -18.4791 -17.4207 -17.4207 -16.6520 -16.6520 -16.6409 -16.6409 -16.6279 -16.6279 -16.6182 -16.6182 -16.6072 -16.6072 -9.2878 -9.2878 -8.0919 -8.0919 -5.7248 -5.7248 -5.2308 -5.2308 -5.1914 -5.1914 -5.1784 -5.1784 -4.8765 -4.8765 -4.8480 -4.8480 -2.3978 -2.3978 -1.9481 -1.9481 -1.9283 -1.9283 -1.5995 -1.5995 -1.5691 -1.5691 -1.2907 -1.2907 -1.2553 -1.2553 -1.1654 -1.1654 -1.1075 -1.1075 -1.0931 -1.0931 -0.0668 -0.0668 -0.0157 -0.0157 1.0530 1.0530 1.0649 1.0649 1.0793 1.0793 1.1104 1.1104 6.8908 6.8908 9.4040 9.4040 9.6729 9.6729 9.9784 9.9784 10.8518 10.8518 10.9140 10.9140 k = 0.0946 0.0546-0.0000 ( 6624 PWs) bands (ev): -18.9394 -18.9394 -18.4717 -18.4717 -17.4301 -17.4301 -16.6647 -16.6647 -16.6415 -16.6415 -16.6287 -16.6287 -16.6193 -16.6193 -16.6076 -16.6076 -9.2668 -9.2668 -8.0723 -8.0723 -5.7514 -5.7514 -5.2376 -5.2376 -5.1855 -5.1855 -5.1724 -5.1724 -4.8692 -4.8692 -4.8335 -4.8335 -2.3998 -2.3998 -1.9539 -1.9539 -1.9272 -1.9272 -1.6053 -1.6053 -1.5645 -1.5645 -1.3129 -1.3129 -1.2664 -1.2664 -1.1652 -1.1652 -1.0937 -1.0937 -1.0767 -1.0767 -0.0872 -0.0872 -0.0191 -0.0191 1.0358 1.0358 1.0443 1.0443 1.0590 1.0590 1.1098 1.1098 6.9199 6.9199 9.4130 9.4130 9.7009 9.7009 9.9997 9.9997 10.8581 10.8581 10.9402 10.9402 k = 0.1081 0.0624-0.0000 ( 6614 PWs) bands (ev): -18.9316 -18.9316 -18.4632 -18.4632 -17.4409 -17.4409 -16.6796 -16.6796 -16.6423 -16.6423 -16.6295 -16.6295 -16.6202 -16.6202 -16.6080 -16.6080 -9.2429 -9.2429 -8.0499 -8.0499 -5.7808 -5.7808 -5.2458 -5.2458 -5.1787 -5.1787 -5.1655 -5.1655 -4.8609 -4.8609 -4.8178 -4.8178 -2.4020 -2.4020 -1.9602 -1.9602 -1.9259 -1.9259 -1.6121 -1.6121 -1.5591 -1.5591 -1.3373 -1.3373 -1.2774 -1.2774 -1.1649 -1.1649 -1.0796 -1.0796 -1.0589 -1.0589 -0.1102 -0.1102 -0.0230 -0.0230 1.0147 1.0147 1.0219 1.0219 1.0362 1.0362 1.1096 1.1096 6.9532 6.9532 9.4233 9.4233 9.7327 9.7327 10.0237 10.0237 10.8650 10.8650 10.9704 10.9704 k = 0.1216 0.0702-0.0000 ( 6614 PWs) bands (ev): -18.9229 -18.9229 -18.4535 -18.4535 -17.4530 -17.4530 -16.6964 -16.6964 -16.6431 -16.6431 -16.6303 -16.6303 -16.6209 -16.6209 -16.6084 -16.6084 -9.2160 -9.2160 -8.0247 -8.0247 -5.8129 -5.8129 -5.2552 -5.2552 -5.1708 -5.1708 -5.1578 -5.1578 -4.8517 -4.8517 -4.8012 -4.8012 -2.4044 -2.4044 -1.9670 -1.9670 -1.9242 -1.9242 -1.6197 -1.6197 -1.5530 -1.5530 -1.3639 -1.3639 -1.2886 -1.2886 -1.1646 -1.1646 -1.0651 -1.0651 -1.0396 -1.0396 -0.1357 -0.1357 -0.0276 -0.0276 0.9890 0.9890 0.9985 0.9985 1.0113 1.0113 1.1096 1.1096 6.9907 6.9907 9.4348 9.4348 9.7681 9.7681 10.0501 10.0501 10.8725 10.8725 11.0043 11.0043 k = 0.1351 0.0780-0.0000 ( 6592 PWs) bands (ev): -18.9132 -18.9132 -18.4428 -18.4428 -17.4665 -17.4665 -16.7151 -16.7151 -16.6440 -16.6440 -16.6312 -16.6312 -16.6216 -16.6216 -16.6089 -16.6089 -9.1863 -9.1863 -7.9969 -7.9969 -5.8473 -5.8473 -5.2659 -5.2659 -5.1622 -5.1622 -5.1493 -5.1493 -4.8417 -4.8417 -4.7840 -4.7840 -2.4069 -2.4069 -1.9744 -1.9744 -1.9223 -1.9223 -1.6283 -1.6283 -1.5460 -1.5460 -1.3925 -1.3925 -1.2998 -1.2998 -1.1641 -1.1641 -1.0502 -1.0502 -1.0190 -1.0190 -0.1634 -0.1634 -0.0329 -0.0329 0.9595 0.9595 0.9732 0.9732 0.9850 0.9850 1.1097 1.1097 7.0322 7.0322 9.4474 9.4474 9.8071 9.8071 10.0787 10.0787 10.8806 10.8806 11.0418 11.0418 k = 0.1486 0.0858-0.0000 ( 6596 PWs) bands (ev): -18.9026 -18.9026 -18.4310 -18.4310 -17.4812 -17.4812 -16.7355 -16.7355 -16.6449 -16.6449 -16.6321 -16.6321 -16.6222 -16.6222 -16.6095 -16.6095 -9.1540 -9.1540 -7.9667 -7.9667 -5.8837 -5.8837 -5.2778 -5.2778 -5.1527 -5.1527 -5.1400 -5.1400 -4.8308 -4.8308 -4.7665 -4.7665 -2.4096 -2.4096 -1.9821 -1.9821 -1.9201 -1.9201 -1.6377 -1.6377 -1.5382 -1.5382 -1.4230 -1.4230 -1.3111 -1.3111 -1.1635 -1.1635 -1.0349 -1.0349 -0.9970 -0.9970 -0.1932 -0.1932 -0.0389 -0.0389 0.9271 0.9271 0.9451 0.9451 0.9579 0.9579 1.1100 1.1100 7.0777 7.0777 9.4611 9.4611 9.8493 9.8493 10.1090 10.1090 10.8894 10.8894 11.0826 11.0826 k = 0.1622 0.0936-0.0000 ( 6594 PWs) bands (ev): -18.8910 -18.8910 -18.4182 -18.4182 -17.4972 -17.4972 -16.7576 -16.7576 -16.6458 -16.6458 -16.6330 -16.6330 -16.6229 -16.6229 -16.6100 -16.6100 -9.1191 -9.1191 -7.9340 -7.9340 -5.9220 -5.9220 -5.2909 -5.2909 -5.1426 -5.1426 -5.1300 -5.1300 -4.8192 -4.8192 -4.7488 -4.7488 -2.4124 -2.4124 -1.9901 -1.9901 -1.9175 -1.9175 -1.6479 -1.6479 -1.5295 -1.5295 -1.4553 -1.4553 -1.3226 -1.3226 -1.1628 -1.1628 -1.0192 -1.0192 -0.9737 -0.9737 -0.2247 -0.2247 -0.0458 -0.0458 0.8922 0.8922 0.9143 0.9143 0.9300 0.9300 1.1102 1.1102 7.1271 7.1271 9.4757 9.4757 9.8946 9.8946 10.1407 10.1407 10.8987 10.8987 11.1266 11.1266 k = 0.1757 0.1014-0.0000 ( 6612 PWs) bands (ev): -18.8785 -18.8785 -18.4043 -18.4043 -17.5144 -17.5144 -16.7811 -16.7811 -16.6468 -16.6468 -16.6339 -16.6339 -16.6235 -16.6235 -16.6106 -16.6106 -9.0819 -9.0819 -7.8990 -7.8990 -5.9620 -5.9620 -5.3052 -5.3052 -5.1318 -5.1318 -5.1194 -5.1194 -4.8070 -4.8070 -4.7311 -4.7311 -2.4153 -2.4153 -1.9983 -1.9983 -1.9146 -1.9146 -1.6590 -1.6590 -1.5201 -1.5201 -1.4892 -1.4892 -1.3342 -1.3342 -1.1620 -1.1620 -1.0031 -1.0031 -0.9493 -0.9493 -0.2576 -0.2576 -0.0536 -0.0536 0.8550 0.8550 0.8816 0.8816 0.9010 0.9010 1.1106 1.1106 7.1801 7.1801 9.4912 9.4912 9.9426 9.9426 10.1733 10.1733 10.9085 10.9085 11.1736 11.1736 k = 0.1892 0.1092-0.0000 ( 6610 PWs) bands (ev): -18.8652 -18.8652 -18.3894 -18.3894 -17.5327 -17.5327 -16.8060 -16.8060 -16.6478 -16.6478 -16.6348 -16.6348 -16.6242 -16.6242 -16.6112 -16.6112 -9.0423 -9.0423 -7.8619 -7.8619 -6.0034 -6.0034 -5.3206 -5.3206 -5.1204 -5.1204 -5.1082 -5.1082 -4.7941 -4.7941 -4.7135 -4.7135 -2.4182 -2.4182 -2.0066 -2.0066 -1.9112 -1.9112 -1.6709 -1.6709 -1.5247 -1.5247 -1.5097 -1.5097 -1.3460 -1.3460 -1.1610 -1.1610 -0.9865 -0.9865 -0.9236 -0.9236 -0.2918 -0.2918 -0.0625 -0.0625 0.8159 0.8159 0.8475 0.8475 0.8708 0.8708 1.1109 1.1109 7.2368 7.2368 9.5075 9.5075 9.9932 9.9932 10.2062 10.2062 10.9189 10.9189 11.2233 11.2233 k = 0.2027 0.1170-0.0000 ( 6614 PWs) bands (ev): -18.8509 -18.8509 -18.3736 -18.3736 -17.5521 -17.5521 -16.8321 -16.8321 -16.6488 -16.6488 -16.6358 -16.6358 -16.6248 -16.6248 -16.6119 -16.6119 -9.0007 -9.0007 -7.8228 -7.8228 -6.0462 -6.0462 -5.3373 -5.3373 -5.1086 -5.1086 -5.0964 -5.0964 -4.7807 -4.7807 -4.6963 -4.6963 -2.4211 -2.4211 -2.0151 -2.0151 -1.9074 -1.9074 -1.6835 -1.6835 -1.5611 -1.5611 -1.4985 -1.4985 -1.3580 -1.3580 -1.1598 -1.1598 -0.9693 -0.9693 -0.8969 -0.8969 -0.3269 -0.3269 -0.0725 -0.0725 0.7750 0.7750 0.8124 0.8124 0.8393 0.8393 1.1113 1.1113 7.2969 7.2969 9.5245 9.5245 10.0460 10.0460 10.2389 10.2389 10.9296 10.9296 11.2757 11.2757 k = 0.2162 0.1248-0.0000 ( 6614 PWs) bands (ev): -18.8359 -18.8359 -18.3569 -18.3569 -17.5725 -17.5725 -16.8595 -16.8595 -16.6497 -16.6497 -16.6367 -16.6367 -16.6255 -16.6255 -16.6126 -16.6126 -8.9571 -8.9571 -7.7819 -7.7819 -6.0902 -6.0902 -5.3551 -5.3551 -5.0962 -5.0962 -5.0842 -5.0842 -4.7669 -4.7669 -4.6794 -4.6794 -2.4239 -2.4239 -2.0235 -2.0235 -1.9031 -1.9031 -1.6969 -1.6969 -1.5986 -1.5986 -1.4865 -1.4865 -1.3702 -1.3702 -1.1585 -1.1585 -0.9517 -0.9517 -0.8692 -0.8692 -0.3627 -0.3627 -0.0838 -0.0838 0.7326 0.7326 0.7768 0.7768 0.8067 0.8067 1.1117 1.1117 7.3604 7.3604 9.5419 9.5419 10.1009 10.1009 10.2706 10.2706 10.9408 10.9408 11.3304 11.3304 k = 0.2297 0.1326-0.0000 ( 6626 PWs) bands (ev): -18.8201 -18.8201 -18.3392 -18.3392 -17.5938 -17.5938 -16.8878 -16.8878 -16.6506 -16.6506 -16.6376 -16.6376 -16.6262 -16.6262 -16.6133 -16.6133 -8.9118 -8.9118 -7.7393 -7.7393 -6.1352 -6.1352 -5.3741 -5.3741 -5.0836 -5.0836 -5.0716 -5.0716 -4.7527 -4.7527 -4.6630 -4.6630 -2.4267 -2.4267 -2.0320 -2.0320 -1.8983 -1.8983 -1.7108 -1.7108 -1.6368 -1.6368 -1.4735 -1.4735 -1.3826 -1.3826 -1.1570 -1.1570 -0.9336 -0.9336 -0.8405 -0.8405 -0.3989 -0.3989 -0.0965 -0.0965 0.6887 0.6887 0.7410 0.7410 0.7730 0.7730 1.1122 1.1122 7.4271 7.4271 9.5598 9.5598 10.1574 10.1574 10.3004 10.3004 10.9522 10.9522 11.3873 11.3873 k = 0.2432 0.1404-0.0000 ( 6636 PWs) bands (ev): -18.8035 -18.8035 -18.3207 -18.3207 -17.6160 -17.6160 -16.9170 -16.9170 -16.6514 -16.6514 -16.6385 -16.6385 -16.6269 -16.6269 -16.6140 -16.6140 -8.8649 -8.8649 -7.6953 -7.6953 -6.1811 -6.1811 -5.3941 -5.3941 -5.0706 -5.0706 -5.0588 -5.0588 -4.7383 -4.7383 -4.6471 -4.6471 -2.4293 -2.4293 -2.0403 -2.0403 -1.8930 -1.8930 -1.7254 -1.7254 -1.6755 -1.6755 -1.4596 -1.4596 -1.3953 -1.3953 -1.1553 -1.1553 -0.9150 -0.9150 -0.8110 -0.8110 -0.4352 -0.4352 -0.1107 -0.1107 0.6438 0.6438 0.7055 0.7055 0.7383 0.7383 1.1126 1.1126 7.4969 7.4969 9.5780 9.5780 10.2153 10.2153 10.3272 10.3272 10.9639 10.9639 11.4462 11.4463 k = 0.2568 0.1482-0.0000 ( 6634 PWs) bands (ev): -18.7862 -18.7862 -18.3015 -18.3015 -17.6389 -17.6389 -16.9471 -16.9471 -16.6522 -16.6522 -16.6394 -16.6394 -16.6276 -16.6276 -16.6147 -16.6147 -8.8167 -8.8167 -7.6500 -7.6500 -6.2277 -6.2277 -5.4153 -5.4153 -5.0575 -5.0575 -5.0457 -5.0457 -4.7238 -4.7238 -4.6319 -4.6319 -2.4317 -2.4317 -2.0486 -2.0486 -1.8871 -1.8871 -1.7405 -1.7405 -1.7145 -1.7145 -1.4449 -1.4449 -1.4082 -1.4082 -1.1534 -1.1534 -0.8959 -0.8959 -0.7806 -0.7806 -0.4713 -0.4713 -0.1265 -0.1265 0.5980 0.5980 0.6707 0.6707 0.7028 0.7028 1.1131 1.1131 7.5697 7.5697 9.5964 9.5964 10.2743 10.2743 10.3498 10.3498 10.9758 10.9758 11.4544 11.4544 k = 0.2703 0.1560-0.0000 ( 6630 PWs) bands (ev): -18.7683 -18.7683 -18.2814 -18.2814 -17.6624 -17.6624 -16.9777 -16.9777 -16.6529 -16.6529 -16.6402 -16.6402 -16.6284 -16.6284 -16.6154 -16.6154 -8.7673 -8.7673 -7.6038 -7.6038 -6.2750 -6.2750 -5.4375 -5.4375 -5.0442 -5.0442 -5.0326 -5.0326 -4.7092 -4.7092 -4.6173 -4.6173 -2.4340 -2.4340 -2.0567 -2.0567 -1.8807 -1.8807 -1.7563 -1.7563 -1.7532 -1.7532 -1.4292 -1.4292 -1.4214 -1.4214 -1.1512 -1.1512 -0.8762 -0.8762 -0.7495 -0.7495 -0.5072 -0.5072 -0.1440 -0.1440 0.5516 0.5516 0.6368 0.6368 0.6666 0.6666 1.1135 1.1135 7.6452 7.6452 9.6148 9.6148 10.3339 10.3339 10.3666 10.3666 10.9878 10.9878 11.4102 11.4102 k = 0.2838 0.1638-0.0000 ( 6628 PWs) bands (ev): -18.7499 -18.7499 -18.2608 -18.2608 -17.6865 -17.6865 -17.0088 -17.0088 -16.6535 -16.6535 -16.6411 -16.6411 -16.6291 -16.6291 -16.6161 -16.6161 -8.7170 -8.7170 -7.5567 -7.5567 -6.3227 -6.3227 -5.4606 -5.4606 -5.0309 -5.0309 -5.0194 -5.0194 -4.6946 -4.6946 -4.6034 -4.6034 -2.4360 -2.4360 -2.0645 -2.0645 -1.8736 -1.8736 -1.7922 -1.7922 -1.7719 -1.7719 -1.4349 -1.4349 -1.4127 -1.4127 -1.1488 -1.1488 -0.8561 -0.8561 -0.7178 -0.7178 -0.5424 -0.5424 -0.1634 -0.1634 0.5047 0.5047 0.6042 0.6042 0.6299 0.6299 1.1140 1.1140 7.7234 7.7234 9.6330 9.6330 10.3758 10.3758 10.3939 10.3939 10.9999 10.9999 11.3604 11.3604 k = 0.2973 0.1716-0.0000 ( 6624 PWs) bands (ev): -18.7309 -18.7309 -18.2395 -18.2395 -17.7111 -17.7111 -17.0403 -17.0403 -16.6541 -16.6541 -16.6419 -16.6419 -16.6298 -16.6298 -16.6168 -16.6168 -8.6660 -8.6660 -7.5091 -7.5091 -6.3707 -6.3707 -5.4846 -5.4846 -5.0177 -5.0177 -5.0063 -5.0063 -4.6803 -4.6803 -4.5902 -4.5902 -2.4376 -2.4376 -2.0722 -2.0722 -1.8659 -1.8659 -1.8303 -1.8303 -1.7880 -1.7880 -1.4486 -1.4486 -1.3953 -1.3953 -1.1461 -1.1461 -0.8354 -0.8354 -0.6854 -0.6854 -0.5768 -0.5768 -0.1845 -0.1845 0.4576 0.4576 0.5730 0.5730 0.5928 0.5928 1.1145 1.1145 7.8042 7.8042 9.6510 9.6510 10.3755 10.3755 10.4538 10.4538 11.0119 11.0119 11.3088 11.3088 k = 0.3108 0.1794-0.0000 ( 6620 PWs) bands (ev): -18.7115 -18.7115 -18.2177 -18.2177 -17.7359 -17.7359 -17.0720 -17.0720 -16.6545 -16.6545 -16.6427 -16.6427 -16.6305 -16.6305 -16.6175 -16.6175 -8.6147 -8.6147 -7.4614 -7.4614 -6.4188 -6.4188 -5.5094 -5.5094 -5.0047 -5.0047 -4.9934 -4.9934 -4.6662 -4.6662 -4.5779 -4.5779 -2.4390 -2.4390 -2.0796 -2.0796 -1.8677 -1.8677 -1.8577 -1.8577 -1.8042 -1.8042 -1.4626 -1.4626 -1.3772 -1.3772 -1.1431 -1.1431 -0.8143 -0.8143 -0.6526 -0.6526 -0.6101 -0.6101 -0.2075 -0.2075 0.4106 0.4106 0.5431 0.5431 0.5561 0.5561 1.1149 1.1149 7.8873 7.8873 9.6686 9.6686 10.3640 10.3640 10.5132 10.5132 11.0238 11.0238 11.2598 11.2598 k = 0.3243 0.1872-0.0000 ( 6604 PWs) bands (ev): -18.6918 -18.6918 -18.1956 -18.1956 -17.7609 -17.7609 -17.1036 -17.1036 -16.6549 -16.6549 -16.6434 -16.6434 -16.6312 -16.6312 -16.6182 -16.6182 -8.5632 -8.5632 -7.4136 -7.4136 -6.4668 -6.4668 -5.5348 -5.5348 -4.9920 -4.9920 -4.9807 -4.9807 -4.6524 -4.6524 -4.5663 -4.5663 -2.4400 -2.4400 -2.0868 -2.0868 -1.9040 -1.9040 -1.8488 -1.8488 -1.8203 -1.8203 -1.4769 -1.4769 -1.3582 -1.3582 -1.1399 -1.1399 -0.7927 -0.7927 -0.6427 -0.6427 -0.6190 -0.6190 -0.2321 -0.2321 0.3639 0.3639 0.5118 0.5118 0.5226 0.5226 1.1154 1.1154 7.9727 7.9727 9.6857 9.6857 10.3398 10.3398 10.5717 10.5717 11.0356 11.0356 11.2165 11.2165 k = 0.3378 0.1951-0.0000 ( 6606 PWs) bands (ev): -18.6719 -18.6719 -18.1731 -18.1731 -17.7858 -17.7858 -17.1351 -17.1351 -16.6552 -16.6552 -16.6442 -16.6442 -16.6319 -16.6319 -16.6189 -16.6189 -8.5120 -8.5120 -7.3663 -7.3663 -6.5145 -6.5145 -5.5606 -5.5606 -4.9798 -4.9798 -4.9684 -4.9684 -4.6392 -4.6392 -4.5555 -4.5555 -2.4407 -2.4407 -2.0937 -2.0937 -1.9389 -1.9389 -1.8394 -1.8394 -1.8361 -1.8361 -1.4914 -1.4914 -1.3387 -1.3387 -1.1364 -1.1364 -0.7708 -0.7708 -0.6734 -0.6734 -0.5856 -0.5856 -0.2582 -0.2582 0.3177 0.3177 0.4759 0.4759 0.4958 0.4958 1.1158 1.1158 8.0601 8.0601 9.7020 9.7020 10.3024 10.3024 10.6287 10.6287 11.0471 11.0471 11.1806 11.1806 k = 0.3514 0.2029-0.0000 ( 6604 PWs) bands (ev): -18.6519 -18.6519 -18.1506 -18.1506 -17.8106 -17.8106 -17.1661 -17.1661 -16.6554 -16.6554 -16.6449 -16.6449 -16.6326 -16.6326 -16.6195 -16.6195 -8.4613 -8.4613 -7.3198 -7.3198 -6.5614 -6.5614 -5.5867 -5.5867 -4.9680 -4.9680 -4.9565 -4.9565 -4.6266 -4.6266 -4.5456 -4.5456 -2.4409 -2.4409 -2.1003 -2.1003 -1.9722 -1.9722 -1.8519 -1.8519 -1.8291 -1.8291 -1.5061 -1.5061 -1.3186 -1.3186 -1.1326 -1.1326 -0.7485 -0.7485 -0.7027 -0.7027 -0.5519 -0.5519 -0.2856 -0.2856 0.2723 0.2723 0.4385 0.4385 0.4730 0.4730 1.1162 1.1162 8.1495 8.1495 9.7175 9.7175 10.2523 10.2523 10.6837 10.6837 11.0585 11.0585 11.1522 11.1522 k = 0.3649 0.2107-0.0000 ( 6612 PWs) bands (ev): -18.6321 -18.6321 -18.1282 -18.1282 -17.8350 -17.8350 -17.1966 -17.1966 -16.6556 -16.6556 -16.6456 -16.6456 -16.6332 -16.6332 -16.6201 -16.6201 -8.4117 -8.4117 -7.2746 -7.2746 -6.6074 -6.6074 -5.6127 -5.6127 -4.9570 -4.9570 -4.9452 -4.9452 -4.6147 -4.6147 -4.5365 -4.5365 -2.4408 -2.4408 -2.1069 -2.1069 -2.0035 -2.0035 -1.8670 -1.8670 -1.8183 -1.8183 -1.5211 -1.5211 -1.2982 -1.2982 -1.1286 -1.1286 -0.7309 -0.7309 -0.7256 -0.7256 -0.5181 -0.5181 -0.3139 -0.3139 0.2281 0.2281 0.4009 0.4009 0.4529 0.4529 1.1165 1.1165 8.2405 8.2405 9.7320 9.7320 10.1909 10.1909 10.7363 10.7363 11.0695 11.0695 11.1305 11.1305 k = 0.3784 0.2185-0.0000 ( 6602 PWs) bands (ev): -18.6125 -18.6125 -18.1060 -18.1060 -17.8588 -17.8588 -17.2261 -17.2261 -16.6557 -16.6557 -16.6462 -16.6462 -16.6338 -16.6338 -16.6207 -16.6207 -8.3635 -8.3635 -7.2310 -7.2310 -6.6520 -6.6520 -5.6384 -5.6384 -4.9467 -4.9467 -4.9344 -4.9344 -4.6036 -4.6036 -4.5283 -4.5283 -2.4402 -2.4402 -2.1135 -2.1135 -2.0324 -2.0324 -1.8813 -1.8813 -1.8070 -1.8070 -1.5362 -1.5362 -1.2776 -1.2776 -1.1243 -1.1243 -0.7564 -0.7564 -0.7035 -0.7035 -0.4845 -0.4845 -0.3426 -0.3426 0.1853 0.1853 0.3636 0.3636 0.4352 0.4352 1.1169 1.1169 8.3331 8.3331 9.7454 9.7454 10.1201 10.1201 10.7857 10.7857 11.0801 11.0801 11.1142 11.1142 k = 0.3919 0.2263-0.0000 ( 6610 PWs) bands (ev): -18.5934 -18.5934 -18.0844 -18.0844 -17.8818 -17.8818 -17.2544 -17.2544 -16.6557 -16.6557 -16.6468 -16.6468 -16.6344 -16.6344 -16.6212 -16.6212 -8.3174 -8.3174 -7.1895 -7.1895 -6.6948 -6.6948 -5.6634 -5.6634 -4.9372 -4.9372 -4.9245 -4.9245 -4.5933 -4.5933 -4.5210 -4.5210 -2.4392 -2.4392 -2.1206 -2.1206 -2.0582 -2.0582 -1.8948 -1.8948 -1.7951 -1.7951 -1.5515 -1.5515 -1.2570 -1.2570 -1.1199 -1.1199 -0.7804 -0.7804 -0.6811 -0.6811 -0.4514 -0.4514 -0.3713 -0.3713 0.1444 0.1444 0.3270 0.3270 0.4199 0.4199 1.1172 1.1172 8.4270 8.4270 9.7573 9.7573 10.0420 10.0420 10.8314 10.8314 11.0899 11.0899 11.1025 11.1025 k = 0.4054 0.2341-0.0000 ( 6612 PWs) bands (ev): -18.5752 -18.5752 -18.0637 -18.0637 -17.9035 -17.9035 -17.2812 -17.2812 -16.6557 -16.6557 -16.6473 -16.6473 -16.6349 -16.6349 -16.6216 -16.6216 -8.2740 -8.2740 -7.1508 -7.1508 -6.7352 -6.7352 -5.6874 -5.6874 -4.9287 -4.9287 -4.9153 -4.9153 -4.5841 -4.5841 -4.5145 -4.5145 -2.4379 -2.4379 -2.1289 -2.1289 -2.0798 -2.0798 -1.9071 -1.9071 -1.7828 -1.7828 -1.5669 -1.5669 -1.2370 -1.2370 -1.1154 -1.1154 -0.8023 -0.8023 -0.6592 -0.6592 -0.4190 -0.4190 -0.3991 -0.3991 0.1057 0.1057 0.2915 0.2915 0.4066 0.4066 1.1175 1.1175 8.5218 8.5218 9.7673 9.7673 9.9589 9.9589 10.8727 10.8727 11.0906 11.0906 11.1024 11.1024 k = 0.4189 0.2419-0.0000 ( 6610 PWs) bands (ev): -18.5581 -18.5581 -18.0442 -18.0442 -17.9237 -17.9237 -17.3060 -17.3060 -16.6557 -16.6557 -16.6478 -16.6478 -16.6354 -16.6354 -16.6221 -16.6221 -8.2338 -8.2338 -7.1154 -7.1154 -6.7725 -6.7725 -5.7097 -5.7097 -4.9212 -4.9212 -4.9072 -4.9072 -4.5759 -4.5759 -4.5089 -4.5089 -2.4363 -2.4363 -2.1395 -2.1395 -2.0962 -2.0962 -1.9182 -1.9182 -1.7700 -1.7700 -1.5823 -1.5823 -1.2177 -1.2177 -1.1109 -1.1109 -0.8220 -0.8220 -0.6381 -0.6381 -0.4262 -0.4262 -0.3873 -0.3873 0.0697 0.0697 0.2574 0.2574 0.3955 0.3955 1.1177 1.1177 8.6173 8.6173 9.7732 9.7732 9.8745 9.8745 10.9091 10.9091 11.0838 11.0838 11.1115 11.1115 k = 0.4324 0.2497-0.0000 ( 6606 PWs) bands (ev): -18.5425 -18.5425 -18.0264 -18.0264 -17.9419 -17.9419 -17.3283 -17.3283 -16.6556 -16.6556 -16.6482 -16.6482 -16.6358 -16.6358 -16.6224 -16.6224 -8.1978 -8.1978 -7.0839 -7.0839 -6.8061 -6.8061 -5.7299 -5.7299 -4.9147 -4.9147 -4.9000 -4.9000 -4.5689 -4.5689 -4.5042 -4.5042 -2.4346 -2.4346 -2.1521 -2.1521 -2.1070 -2.1070 -1.9280 -1.9280 -1.7568 -1.7568 -1.5977 -1.5977 -1.1998 -1.1998 -1.1065 -1.1065 -0.8393 -0.8393 -0.6183 -0.6183 -0.4508 -0.4508 -0.3578 -0.3578 0.0372 0.0372 0.2255 0.2255 0.3863 0.3863 1.1179 1.1179 8.7128 8.7128 9.7544 9.7544 9.8111 9.8111 10.9400 10.9400 11.0780 11.0780 11.1208 11.1208 k = 0.4459 0.2575-0.0000 ( 6604 PWs) bands (ev): -18.5288 -18.5288 -18.0108 -18.0108 -17.9578 -17.9578 -17.3477 -17.3477 -16.6555 -16.6555 -16.6486 -16.6486 -16.6361 -16.6361 -16.6227 -16.6227 -8.1666 -8.1666 -7.0571 -7.0571 -6.8351 -6.8351 -5.7475 -5.7475 -4.9093 -4.9093 -4.8941 -4.8941 -4.5630 -4.5630 -4.5003 -4.5003 -2.4328 -2.4328 -2.1651 -2.1651 -2.1137 -2.1137 -1.9361 -1.9361 -1.7434 -1.7434 -1.6129 -1.6129 -1.1839 -1.1839 -1.1024 -1.1024 -0.8539 -0.8539 -0.6004 -0.6004 -0.4725 -0.4725 -0.3308 -0.3308 0.0087 0.0087 0.1965 0.1965 0.3789 0.3789 1.1181 1.1181 8.8074 8.8074 9.6775 9.6775 9.8033 9.8033 10.9651 10.9651 11.0734 11.0734 11.1295 11.1295 k = 0.4595 0.2653-0.0000 ( 6604 PWs) bands (ev): -18.5176 -18.5176 -17.9979 -17.9979 -17.9708 -17.9708 -17.3635 -17.3635 -16.6554 -16.6554 -16.6489 -16.6489 -16.6364 -16.6364 -16.6229 -16.6229 -8.1412 -8.1412 -7.0353 -7.0353 -6.8588 -6.8588 -5.7618 -5.7618 -4.9051 -4.9051 -4.8894 -4.8894 -4.5584 -4.5584 -4.4973 -4.4973 -2.4311 -2.4311 -2.1766 -2.1766 -2.1180 -2.1180 -1.9426 -1.9426 -1.7300 -1.7300 -1.6277 -1.6277 -1.1705 -1.1705 -1.0988 -1.0988 -0.8657 -0.8657 -0.5852 -0.5852 -0.4907 -0.4907 -0.3074 -0.3074 -0.0149 -0.0149 0.1716 0.1716 0.3733 0.3733 1.1182 1.1182 8.8993 8.8993 9.5900 9.5900 9.8062 9.8062 10.9844 10.9844 11.0699 11.0699 11.1373 11.1373 k = 0.4730 0.2731-0.0000 ( 6604 PWs) bands (ev): -18.5091 -18.5091 -17.9882 -17.9882 -17.9805 -17.9805 -17.3753 -17.3753 -16.6553 -16.6553 -16.6491 -16.6491 -16.6366 -16.6366 -16.6231 -16.6231 -8.1224 -8.1224 -7.0194 -7.0194 -6.8764 -6.8764 -5.7725 -5.7725 -4.9021 -4.9021 -4.8859 -4.8859 -4.5550 -4.5550 -4.4952 -4.4952 -2.4297 -2.4297 -2.1855 -2.1855 -2.1206 -2.1206 -1.9473 -1.9473 -1.7172 -1.7172 -1.6416 -1.6416 -1.1603 -1.1603 -1.0961 -1.0961 -0.8744 -0.8744 -0.5735 -0.5735 -0.5043 -0.5043 -0.2890 -0.2890 -0.0326 -0.0326 0.1521 0.1521 0.3693 0.3693 1.1183 1.1183 8.9848 8.9848 9.5065 9.5065 9.8093 9.8093 10.9978 10.9978 11.0674 11.0674 11.1434 11.1434 k = 0.4865 0.2809-0.0000 ( 6600 PWs) bands (ev): -18.5039 -18.5039 -17.9866 -17.9866 -17.9821 -17.9821 -17.3826 -17.3826 -16.6553 -16.6553 -16.6492 -16.6492 -16.6367 -16.6367 -16.6232 -16.6232 -8.1108 -8.1108 -7.0096 -7.0096 -6.8873 -6.8873 -5.7791 -5.7791 -4.9002 -4.9002 -4.8839 -4.8839 -4.5530 -4.5530 -4.4939 -4.4939 -2.4288 -2.4288 -2.1910 -2.1910 -2.1221 -2.1221 -1.9502 -1.9502 -1.7063 -1.7063 -1.6531 -1.6531 -1.1540 -1.1540 -1.0943 -1.0943 -0.8797 -0.8797 -0.5660 -0.5660 -0.5128 -0.5128 -0.2771 -0.2771 -0.0436 -0.0436 0.1396 0.1396 0.3669 0.3669 1.1184 1.1184 9.0539 9.0539 9.4384 9.4384 9.8113 9.8113 11.0057 11.0057 11.0659 11.0659 11.1473 11.1473 k = 0.5000 0.2887-0.0000 ( 6580 PWs) bands (ev): -18.5021 -18.5021 -17.9886 -17.9886 -17.9801 -17.9801 -17.3851 -17.3851 -16.6553 -16.6553 -16.6493 -16.6493 -16.6368 -16.6368 -16.6232 -16.6232 -8.1069 -8.1069 -7.0063 -7.0063 -6.8910 -6.8910 -5.7813 -5.7813 -4.8996 -4.8996 -4.8832 -4.8832 -4.5524 -4.5524 -4.4934 -4.4934 -2.4285 -2.4285 -2.1928 -2.1928 -2.1226 -2.1226 -1.9511 -1.9511 -1.7014 -1.7014 -1.6582 -1.6582 -1.1518 -1.1518 -1.0937 -1.0937 -0.8815 -0.8815 -0.5635 -0.5635 -0.5157 -0.5157 -0.2730 -0.2730 -0.0474 -0.0474 0.1352 0.1352 0.3661 0.3661 1.1184 1.1184 9.0833 9.0833 9.4092 9.4092 9.8120 9.8120 11.0083 11.0083 11.0654 11.0654 11.1487 11.1487 k = 0.5000 0.2887-0.0000 ( 6580 PWs) bands (ev): -18.5021 -18.5021 -17.9886 -17.9886 -17.9801 -17.9801 -17.3851 -17.3851 -16.6553 -16.6553 -16.6493 -16.6493 -16.6368 -16.6368 -16.6232 -16.6232 -8.1069 -8.1069 -7.0063 -7.0063 -6.8910 -6.8910 -5.7813 -5.7813 -4.8996 -4.8996 -4.8832 -4.8832 -4.5524 -4.5524 -4.4934 -4.4934 -2.4285 -2.4285 -2.1928 -2.1928 -2.1226 -2.1226 -1.9511 -1.9511 -1.7014 -1.7014 -1.6582 -1.6582 -1.1518 -1.1518 -1.0937 -1.0937 -0.8815 -0.8815 -0.5635 -0.5635 -0.5157 -0.5157 -0.2730 -0.2730 -0.0474 -0.0474 0.1352 0.1352 0.3661 0.3661 1.1184 1.1184 9.0833 9.0833 9.4092 9.4092 9.8120 9.8120 11.0083 11.0083 11.0654 11.0654 11.1487 11.1487 k = 0.4921 0.3024-0.0000 ( 6596 PWs) bands (ev): -18.5015 -18.5015 -17.9892 -17.9892 -17.9794 -17.9794 -17.3859 -17.3859 -16.6553 -16.6553 -16.6493 -16.6493 -16.6368 -16.6368 -16.6233 -16.6233 -8.1053 -8.1053 -7.0047 -7.0047 -6.8925 -6.8925 -5.7831 -5.7831 -4.8990 -4.8990 -4.8826 -4.8826 -4.5524 -4.5524 -4.4934 -4.4934 -2.4283 -2.4283 -2.1930 -2.1930 -2.1258 -2.1258 -1.9524 -1.9524 -1.6969 -1.6969 -1.6582 -1.6582 -1.1498 -1.1498 -1.0934 -1.0934 -0.8820 -0.8820 -0.5648 -0.5648 -0.5152 -0.5152 -0.2712 -0.2712 -0.0528 -0.0528 0.1390 0.1390 0.3637 0.3637 1.1171 1.1171 9.0846 9.0846 9.4114 9.4114 9.8122 9.8122 11.0111 11.0111 11.0651 11.0651 11.1495 11.1495 k = 0.4841 0.3162-0.0000 ( 6596 PWs) bands (ev): -18.4997 -18.4997 -17.9912 -17.9912 -17.9774 -17.9774 -17.3882 -17.3882 -16.6553 -16.6553 -16.6493 -16.6493 -16.6369 -16.6369 -16.6235 -16.6235 -8.1006 -8.1006 -6.9999 -6.9999 -6.8973 -6.8973 -5.7885 -5.7885 -4.8972 -4.8972 -4.8809 -4.8809 -4.5524 -4.5524 -4.4933 -4.4933 -2.4279 -2.4279 -2.1935 -2.1935 -2.1349 -2.1349 -1.9559 -1.9559 -1.6838 -1.6838 -1.6585 -1.6585 -1.1439 -1.1439 -1.0923 -1.0923 -0.8837 -0.8837 -0.5687 -0.5687 -0.5135 -0.5135 -0.2659 -0.2659 -0.0678 -0.0678 0.1493 0.1493 0.3563 0.3563 1.1130 1.1130 9.0883 9.0883 9.4180 9.4180 9.8128 9.8128 11.0195 11.0195 11.0640 11.0640 11.1519 11.1519 k = 0.4762 0.3299-0.0000 ( 6606 PWs) bands (ev): -18.4967 -18.4967 -17.9946 -17.9946 -17.9740 -17.9740 -17.3921 -17.3921 -16.6553 -16.6553 -16.6494 -16.6494 -16.6371 -16.6371 -16.6237 -16.6237 -8.0928 -8.0928 -6.9918 -6.9918 -6.9052 -6.9052 -5.7975 -5.7975 -4.8942 -4.8942 -4.8781 -4.8781 -4.5526 -4.5526 -4.4931 -4.4931 -2.4273 -2.4273 -2.1944 -2.1944 -2.1488 -2.1488 -1.9617 -1.9617 -1.6632 -1.6632 -1.6588 -1.6588 -1.1345 -1.1345 -1.0903 -1.0903 -0.8863 -0.8863 -0.5750 -0.5750 -0.5107 -0.5107 -0.2575 -0.2575 -0.0900 -0.0900 0.1635 0.1635 0.3442 0.3442 1.1063 1.1063 9.0946 9.0946 9.4289 9.4289 9.8139 9.8139 11.0334 11.0334 11.0620 11.0620 11.1559 11.1559 k = 0.4683 0.3437-0.0000 ( 6606 PWs) bands (ev): -18.4925 -18.4925 -17.9993 -17.9993 -17.9693 -17.9693 -17.3976 -17.3976 -16.6553 -16.6553 -16.6496 -16.6496 -16.6373 -16.6373 -16.6241 -16.6241 -8.0818 -8.0818 -6.9806 -6.9806 -6.9162 -6.9162 -5.8098 -5.8098 -4.8902 -4.8902 -4.8742 -4.8742 -4.5531 -4.5531 -4.4926 -4.4926 -2.4264 -2.4264 -2.1957 -2.1957 -2.1663 -2.1663 -1.9695 -1.9695 -1.6593 -1.6593 -1.6363 -1.6363 -1.1228 -1.1228 -1.0863 -1.0863 -0.8900 -0.8900 -0.5832 -0.5832 -0.5069 -0.5069 -0.2462 -0.2462 -0.1173 -0.1173 0.1796 0.1796 0.3273 0.3273 1.0971 1.0971 9.1033 9.1033 9.4442 9.4442 9.8153 9.8153 11.0526 11.0526 11.0589 11.0589 11.1614 11.1614 k = 0.4603 0.3574-0.0000 ( 6602 PWs) bands (ev): -18.4872 -18.4872 -18.0052 -18.0052 -17.9632 -17.9632 -17.4046 -17.4046 -16.6553 -16.6553 -16.6497 -16.6497 -16.6376 -16.6376 -16.6245 -16.6245 -8.0678 -8.0678 -6.9663 -6.9663 -6.9303 -6.9303 -5.8254 -5.8254 -4.8852 -4.8852 -4.8692 -4.8692 -4.5541 -4.5541 -4.4917 -4.4917 -2.4254 -2.4254 -2.1976 -2.1976 -2.1857 -2.1857 -1.9789 -1.9789 -1.6598 -1.6598 -1.6044 -1.6044 -1.1113 -1.1113 -1.0781 -1.0781 -0.8946 -0.8946 -0.5929 -0.5929 -0.5021 -0.5021 -0.2325 -0.2325 -0.1482 -0.1482 0.1960 0.1960 0.3059 0.3059 1.0856 1.0856 9.1145 9.1145 9.4637 9.4637 9.8171 9.8171 11.0541 11.0541 11.0772 11.0772 11.1683 11.1683 k = 0.4524 0.3712-0.0000 ( 6594 PWs) bands (ev): -18.4806 -18.4806 -18.0125 -18.0125 -17.9557 -17.9557 -17.4131 -17.4131 -16.6553 -16.6553 -16.6498 -16.6498 -16.6379 -16.6379 -16.6250 -16.6250 -8.0508 -8.0508 -6.9495 -6.9495 -6.9467 -6.9467 -5.8442 -5.8442 -4.8794 -4.8794 -4.8632 -4.8632 -4.5559 -4.5559 -4.4902 -4.4902 -2.4243 -2.4243 -2.2075 -2.2075 -2.1985 -2.1985 -1.9897 -1.9897 -1.6604 -1.6604 -1.5686 -1.5686 -1.1031 -1.1031 -1.0629 -1.0629 -0.9001 -0.9001 -0.6039 -0.6039 -0.4965 -0.4965 -0.2167 -0.2167 -0.1819 -0.1819 0.2119 0.2119 0.2801 0.2801 1.0721 1.0721 9.1280 9.1280 9.4873 9.4873 9.8192 9.8192 11.0471 11.0471 11.1068 11.1068 11.1766 11.1766 k = 0.4444 0.3849-0.0000 ( 6586 PWs) bands (ev): -18.4729 -18.4729 -18.0210 -18.0210 -17.9470 -17.9470 -17.4230 -17.4230 -16.6554 -16.6554 -16.6499 -16.6499 -16.6383 -16.6383 -16.6256 -16.6256 -8.0308 -8.0308 -6.9674 -6.9674 -6.9285 -6.9285 -5.8659 -5.8659 -4.8730 -4.8730 -4.8562 -4.8562 -4.5585 -4.5585 -4.4881 -4.4881 -2.4233 -2.4233 -2.2279 -2.2279 -2.2013 -2.2013 -2.0015 -2.0015 -1.6611 -1.6611 -1.5297 -1.5297 -1.0980 -1.0980 -1.0412 -1.0412 -0.9062 -0.9062 -0.6158 -0.6158 -0.4901 -0.4901 -0.2183 -0.2183 -0.1987 -0.1987 0.2266 0.2266 0.2502 0.2502 1.0568 1.0568 9.1438 9.1438 9.5149 9.5149 9.8216 9.8216 11.0372 11.0372 11.1413 11.1413 11.1862 11.1862 k = 0.4365 0.3986-0.0000 ( 6598 PWs) bands (ev): -18.4641 -18.4641 -18.0308 -18.0308 -17.9369 -17.9369 -17.4345 -17.4345 -16.6556 -16.6556 -16.6499 -16.6499 -16.6388 -16.6388 -16.6263 -16.6263 -8.0080 -8.0080 -6.9901 -6.9901 -6.9052 -6.9052 -5.8905 -5.8905 -4.8661 -4.8661 -4.8482 -4.8482 -4.5621 -4.5621 -4.4853 -4.4853 -2.4225 -2.4225 -2.2481 -2.2481 -2.2042 -2.2042 -2.0141 -2.0141 -1.6618 -1.6618 -1.4881 -1.4881 -1.0942 -1.0942 -1.0150 -1.0150 -0.9131 -0.9131 -0.6283 -0.6283 -0.4830 -0.4830 -0.2561 -0.2561 -0.1799 -0.1799 0.2159 0.2159 0.2402 0.2402 1.0401 1.0401 9.1619 9.1619 9.5464 9.5464 9.8243 9.8243 11.0232 11.0232 11.1803 11.1803 11.1969 11.1969 k = 0.4286 0.4124-0.0000 ( 6610 PWs) bands (ev): -18.4541 -18.4541 -18.0418 -18.0418 -17.9255 -17.9255 -17.4473 -17.4473 -16.6558 -16.6558 -16.6498 -16.6498 -16.6392 -16.6392 -16.6269 -16.6269 -7.9823 -7.9823 -7.0157 -7.0157 -6.8792 -6.8792 -5.9177 -5.9177 -4.8589 -4.8589 -4.8394 -4.8394 -4.5668 -4.5668 -4.4818 -4.4818 -2.4222 -2.4222 -2.2669 -2.2669 -2.2076 -2.2076 -2.0270 -2.0270 -1.6624 -1.6624 -1.4445 -1.4445 -1.0910 -1.0910 -0.9855 -0.9855 -0.9204 -0.9204 -0.6412 -0.6412 -0.4754 -0.4754 -0.2957 -0.2957 -0.1595 -0.1595 0.1785 0.1785 0.2513 0.2513 1.0224 1.0224 9.1820 9.1820 9.5815 9.5815 9.8271 9.8271 11.0040 11.0040 11.2085 11.2085 11.2237 11.2237 k = 0.4206 0.4261-0.0000 ( 6600 PWs) bands (ev): -18.4429 -18.4429 -18.0540 -18.0540 -17.9128 -17.9128 -17.4616 -17.4616 -16.6560 -16.6560 -16.6497 -16.6497 -16.6397 -16.6397 -16.6276 -16.6276 -7.9540 -7.9540 -7.0439 -7.0439 -6.8504 -6.8504 -5.9473 -5.9473 -4.8516 -4.8516 -4.8297 -4.8297 -4.5724 -4.5724 -4.4778 -4.4778 -2.4227 -2.4227 -2.2836 -2.2836 -2.2114 -2.2114 -2.0400 -2.0400 -1.6630 -1.6630 -1.3990 -1.3990 -1.0877 -1.0877 -0.9536 -0.9536 -0.9282 -0.9282 -0.6543 -0.6543 -0.4672 -0.4672 -0.3367 -0.3367 -0.1381 -0.1381 0.1376 0.1376 0.2603 0.2603 1.0042 1.0042 9.2042 9.2042 9.6202 9.6202 9.8301 9.8301 10.9780 10.9780 11.2210 11.2210 11.2710 11.2710 k = 0.4127 0.4399-0.0000 ( 6606 PWs) bands (ev): -18.4307 -18.4307 -18.0673 -18.0673 -17.8989 -17.8989 -17.4772 -17.4772 -16.6563 -16.6563 -16.6495 -16.6495 -16.6402 -16.6402 -16.6283 -16.6283 -7.9231 -7.9231 -7.0746 -7.0746 -6.8190 -6.8190 -5.9793 -5.9793 -4.8444 -4.8444 -4.8191 -4.8191 -4.5790 -4.5790 -4.4735 -4.4735 -2.4245 -2.4245 -2.2977 -2.2977 -2.2156 -2.2156 -2.0529 -2.0529 -1.6635 -1.6635 -1.3520 -1.3520 -1.0843 -1.0843 -0.9369 -0.9369 -0.9188 -0.9188 -0.6676 -0.6676 -0.4588 -0.4588 -0.3791 -0.3791 -0.1157 -0.1157 0.0938 0.0938 0.2667 0.2667 0.9858 0.9858 9.2282 9.2282 9.6621 9.6621 9.8333 9.8333 10.9438 10.9438 11.2340 11.2340 11.3219 11.3219 k = 0.4048 0.4536-0.0000 ( 6606 PWs) bands (ev): -18.4174 -18.4174 -18.0817 -18.0817 -17.8836 -17.8836 -17.4941 -17.4941 -16.6567 -16.6567 -16.6493 -16.6493 -16.6407 -16.6407 -16.6290 -16.6290 -7.8897 -7.8897 -7.1077 -7.1077 -6.7852 -6.7852 -6.0134 -6.0134 -4.8374 -4.8374 -4.8078 -4.8078 -4.5866 -4.5866 -4.4688 -4.4688 -2.4278 -2.4278 -2.3085 -2.3085 -2.2205 -2.2205 -2.0653 -2.0653 -1.6639 -1.6639 -1.3036 -1.3036 -1.0806 -1.0806 -0.9453 -0.9453 -0.8828 -0.8828 -0.6809 -0.6809 -0.4502 -0.4502 -0.4225 -0.4225 -0.0925 -0.0925 0.0473 0.0473 0.2703 0.2703 0.9679 0.9679 9.2538 9.2538 9.7071 9.7071 9.8367 9.8367 10.9002 10.9002 11.2474 11.2474 11.3761 11.3761 k = 0.3968 0.4674-0.0000 ( 6588 PWs) bands (ev): -18.4030 -18.4030 -18.0971 -18.0971 -17.8672 -17.8672 -17.5122 -17.5122 -16.6571 -16.6571 -16.6490 -16.6490 -16.6412 -16.6412 -16.6297 -16.6297 -7.8539 -7.8539 -7.1432 -7.1432 -6.7491 -6.7491 -6.0494 -6.0494 -4.8308 -4.8308 -4.7958 -4.7958 -4.5949 -4.5949 -4.4642 -4.4642 -2.4327 -2.4327 -2.3157 -2.3157 -2.2258 -2.2258 -2.0771 -2.0771 -1.6642 -1.6642 -1.2541 -1.2541 -1.0766 -1.0766 -0.9541 -0.9541 -0.8449 -0.8449 -0.6942 -0.6942 -0.4670 -0.4670 -0.4413 -0.4413 -0.0686 -0.0686 -0.0012 -0.0012 0.2707 0.2707 0.9508 0.9508 9.2807 9.2807 9.7545 9.7545 9.8406 9.8406 10.8465 10.8465 11.2609 11.2609 11.4329 11.4329 k = 0.3889 0.4811-0.0000 ( 6598 PWs) bands (ev): -18.3876 -18.3876 -18.1136 -18.1136 -17.8495 -17.8495 -17.5315 -17.5315 -16.6574 -16.6574 -16.6486 -16.6486 -16.6417 -16.6417 -16.6304 -16.6304 -7.8159 -7.8159 -7.1809 -7.1809 -6.7108 -6.7108 -6.0874 -6.0874 -4.8246 -4.8246 -4.7832 -4.7832 -4.6041 -4.6041 -4.4596 -4.4596 -2.4391 -2.4391 -2.3194 -2.3194 -2.2316 -2.2316 -2.0881 -2.0881 -1.6644 -1.6644 -1.2035 -1.2035 -1.0722 -1.0722 -0.9631 -0.9631 -0.8055 -0.8055 -0.7074 -0.7074 -0.5121 -0.5121 -0.4328 -0.4328 -0.0539 -0.0539 -0.0414 -0.0414 0.2677 0.2677 0.9350 0.9350 9.3087 9.3087 9.8023 9.8023 9.8468 9.8468 10.7829 10.7829 11.2742 11.2742 11.4917 11.4917 k = 0.3810 0.4949-0.0000 ( 6596 PWs) bands (ev): -18.3711 -18.3711 -18.1311 -18.1311 -17.8306 -17.8306 -17.5520 -17.5520 -16.6578 -16.6578 -16.6482 -16.6482 -16.6422 -16.6422 -16.6310 -16.6310 -7.7757 -7.7757 -7.2207 -7.2207 -6.6706 -6.6706 -6.1272 -6.1272 -4.8190 -4.8190 -4.7701 -4.7701 -4.6141 -4.6141 -4.4552 -4.4552 -2.4463 -2.4463 -2.3201 -2.3201 -2.2380 -2.2380 -2.0980 -2.0980 -1.6644 -1.6644 -1.1521 -1.1521 -1.0673 -1.0673 -0.9722 -0.9722 -0.7647 -0.7647 -0.7204 -0.7204 -0.5578 -0.5578 -0.4248 -0.4248 -0.1035 -0.1035 -0.0178 -0.0178 0.2610 0.2610 0.9210 0.9210 9.3373 9.3373 9.8344 9.8344 9.8710 9.8710 10.7105 10.7105 11.2871 11.2871 11.5517 11.5517 k = 0.3730 0.5086-0.0000 ( 6600 PWs) bands (ev): -18.3537 -18.3537 -18.1494 -18.1494 -17.8106 -17.8106 -17.5734 -17.5734 -16.6581 -16.6581 -16.6478 -16.6478 -16.6427 -16.6427 -16.6316 -16.6316 -7.7336 -7.7336 -7.2625 -7.2625 -6.6285 -6.6285 -6.1686 -6.1686 -4.8141 -4.8141 -4.7565 -4.7565 -4.6247 -4.6247 -4.4512 -4.4512 -2.4537 -2.4537 -2.3182 -2.3182 -2.2449 -2.2449 -2.1068 -2.1068 -1.6643 -1.6643 -1.1001 -1.1001 -1.0617 -1.0617 -0.9813 -0.9813 -0.7332 -0.7332 -0.7227 -0.7227 -0.6039 -0.6039 -0.4181 -0.4181 -0.1548 -0.1548 0.0080 0.0080 0.2507 0.2507 0.9090 0.9090 9.3659 9.3659 9.8422 9.8422 9.9217 9.9217 10.6314 10.6314 11.2991 11.2991 11.5920 11.5923 k = 0.3651 0.5224-0.0000 ( 6600 PWs) bands (ev): -18.3353 -18.3353 -18.1686 -18.1686 -17.7895 -17.7895 -17.5959 -17.5959 -16.6584 -16.6584 -16.6474 -16.6474 -16.6432 -16.6432 -16.6320 -16.6320 -7.6895 -7.6895 -7.3061 -7.3061 -6.5848 -6.5848 -6.2115 -6.2115 -4.8100 -4.8100 -4.7427 -4.7427 -4.6360 -4.6360 -4.4476 -4.4476 -2.4606 -2.4606 -2.3144 -2.3144 -2.2522 -2.2522 -2.1142 -2.1142 -1.6641 -1.6641 -1.0582 -1.0582 -1.0448 -1.0448 -0.9903 -0.9903 -0.7458 -0.7458 -0.6800 -0.6800 -0.6499 -0.6499 -0.4139 -0.4139 -0.2047 -0.2047 0.0345 0.0345 0.2366 0.2366 0.8992 0.8992 9.3936 9.3936 9.8456 9.8456 9.9787 9.9787 10.5477 10.5477 11.3098 11.3098 11.5960 11.5960 k = 0.3571 0.5361-0.0000 ( 6594 PWs) bands (ev): -18.3160 -18.3160 -18.1886 -18.1886 -17.7672 -17.7672 -17.6192 -17.6192 -16.6586 -16.6586 -16.6469 -16.6469 -16.6436 -16.6436 -16.6325 -16.6325 -7.6438 -7.6438 -7.3516 -7.3516 -6.5396 -6.5396 -6.2559 -6.2559 -4.8066 -4.8066 -4.7287 -4.7287 -4.6478 -4.6478 -4.4447 -4.4447 -2.4664 -2.4664 -2.3091 -2.3091 -2.2600 -2.2600 -2.1201 -2.1201 -1.6638 -1.6638 -1.0504 -1.0504 -1.0022 -1.0022 -0.9899 -0.9899 -0.7580 -0.7580 -0.6967 -0.6967 -0.6354 -0.6354 -0.4152 -0.4152 -0.2497 -0.2497 0.0615 0.0615 0.2189 0.2189 0.8918 0.8918 9.4193 9.4193 9.8478 9.8478 10.0384 10.0384 10.4622 10.4622 11.3190 11.3190 11.5992 11.5993 k = 0.3492 0.5499-0.0000 ( 6602 PWs) bands (ev): -18.2958 -18.2958 -18.2094 -18.2094 -17.7438 -17.7438 -17.6434 -17.6434 -16.6588 -16.6588 -16.6465 -16.6465 -16.6441 -16.6441 -16.6328 -16.6328 -7.5964 -7.5964 -7.3986 -7.3986 -6.4931 -6.4931 -6.3016 -6.3016 -4.8042 -4.8042 -4.7146 -4.7146 -4.6603 -4.6603 -4.4425 -4.4425 -2.4710 -2.4710 -2.3026 -2.3026 -2.2681 -2.2681 -2.1245 -2.1245 -1.6635 -1.6635 -1.0432 -1.0432 -1.0094 -1.0094 -0.9377 -0.9377 -0.7698 -0.7698 -0.7426 -0.7426 -0.5906 -0.5906 -0.4276 -0.4276 -0.2842 -0.2842 0.0889 0.0889 0.1978 0.1978 0.8866 0.8866 9.4412 9.4412 9.8494 9.8494 10.1000 10.1000 10.3779 10.3779 11.3261 11.3261 11.6021 11.6021 k = 0.3413 0.5636-0.0000 ( 6610 PWs) bands (ev): -18.2747 -18.2747 -18.2308 -18.2308 -17.7195 -17.7195 -17.6682 -17.6682 -16.6589 -16.6589 -16.6461 -16.6461 -16.6444 -16.6444 -16.6329 -16.6329 -7.5476 -7.5476 -7.4472 -7.4472 -6.4457 -6.4457 -6.3486 -6.3486 -4.8027 -4.8027 -4.7006 -4.7006 -4.6732 -4.6732 -4.4411 -4.4411 -2.4738 -2.4738 -2.2951 -2.2951 -2.2765 -2.2765 -2.1272 -2.1272 -1.6633 -1.6633 -1.0355 -1.0355 -1.0183 -1.0183 -0.8839 -0.8839 -0.7881 -0.7881 -0.7807 -0.7807 -0.5450 -0.5450 -0.4560 -0.4560 -0.3026 -0.3026 0.1166 0.1166 0.1737 0.1737 0.8837 0.8837 9.4569 9.4569 9.8503 9.8503 10.1631 10.1631 10.2983 10.2983 11.3308 11.3308 11.6048 11.6048 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -18.2542 -18.2542 -18.2515 -18.2515 -17.6965 -17.6965 -17.6914 -17.6914 -16.6590 -16.6590 -16.6459 -16.6459 -16.6446 -16.6446 -16.6330 -16.6330 -7.5005 -7.5005 -7.4944 -7.4944 -6.4015 -6.4015 -6.3926 -6.3926 -4.8022 -4.8022 -4.6876 -4.6876 -4.6858 -4.6858 -4.4406 -4.4406 -2.4748 -2.4748 -2.2891 -2.2891 -2.2828 -2.2828 -2.1281 -2.1281 -1.6632 -1.6632 -1.0272 -1.0272 -1.0269 -1.0269 -0.8358 -0.8358 -0.8300 -0.8300 -0.7877 -0.7877 -0.5024 -0.5024 -0.4944 -0.4944 -0.3073 -0.3073 0.1394 0.1394 0.1520 0.1520 0.8828 0.8828 9.4631 9.4631 9.8507 9.8507 10.2257 10.2257 10.2292 10.2292 11.3324 11.3324 11.6070 11.6070 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -18.2542 -18.2542 -18.2515 -18.2515 -17.6965 -17.6965 -17.6914 -17.6914 -16.6590 -16.6590 -16.6459 -16.6459 -16.6446 -16.6446 -16.6330 -16.6330 -7.5005 -7.5005 -7.4944 -7.4944 -6.4015 -6.4015 -6.3926 -6.3926 -4.8022 -4.8022 -4.6876 -4.6876 -4.6858 -4.6858 -4.4406 -4.4406 -2.4748 -2.4748 -2.2891 -2.2891 -2.2828 -2.2828 -2.1281 -2.1281 -1.6632 -1.6632 -1.0272 -1.0272 -1.0269 -1.0269 -0.8358 -0.8358 -0.8300 -0.8300 -0.7877 -0.7877 -0.5024 -0.5024 -0.4944 -0.4944 -0.3073 -0.3073 0.1394 0.1394 0.1520 0.1520 0.8828 0.8828 9.4631 9.4631 9.8507 9.8507 10.2257 10.2257 10.2292 10.2292 11.3324 11.3324 11.6070 11.6070 k = 0.3254 0.5636-0.0000 ( 6614 PWs) bands (ev): -18.2754 -18.2754 -18.2301 -18.2301 -17.7203 -17.7203 -17.6675 -17.6675 -16.6589 -16.6589 -16.6461 -16.6461 -16.6444 -16.6444 -16.6329 -16.6329 -7.5489 -7.5489 -7.4460 -7.4460 -6.4466 -6.4466 -6.3477 -6.3477 -4.8027 -4.8027 -4.7007 -4.7007 -4.6732 -4.6732 -4.4411 -4.4411 -2.4738 -2.4738 -2.2956 -2.2956 -2.2760 -2.2760 -2.1271 -2.1271 -1.6634 -1.6634 -1.0358 -1.0358 -1.0179 -1.0179 -0.8768 -0.8768 -0.8136 -0.8136 -0.7622 -0.7622 -0.5480 -0.5480 -0.4512 -0.4512 -0.3044 -0.3044 0.1152 0.1152 0.1752 0.1752 0.8836 0.8836 9.4556 9.4556 9.8503 9.8503 10.1701 10.1701 10.2927 10.2927 11.3306 11.3306 11.6052 11.6054 k = 0.3175 0.5499-0.0000 ( 6604 PWs) bands (ev): -18.2984 -18.2984 -18.2067 -18.2067 -17.7469 -17.7469 -17.6402 -17.6402 -16.6588 -16.6588 -16.6465 -16.6465 -16.6440 -16.6440 -16.6328 -16.6328 -7.6015 -7.6015 -7.3936 -7.3936 -6.4969 -6.4969 -6.2982 -6.2982 -4.8043 -4.8043 -4.7150 -4.7150 -4.6601 -4.6601 -4.4427 -4.4427 -2.4706 -2.4706 -2.3047 -2.3047 -2.2660 -2.2660 -2.1243 -2.1243 -1.6638 -1.6638 -1.0443 -1.0443 -1.0080 -1.0080 -0.9192 -0.9192 -0.8212 -0.8212 -0.7093 -0.7093 -0.6005 -0.6005 -0.4036 -0.4036 -0.2978 -0.2978 0.0836 0.0836 0.2040 0.2040 0.8860 0.8860 9.4307 9.4307 9.8492 9.8492 10.1303 10.1303 10.3586 10.3586 11.3249 11.3249 11.6036 11.6036 k = 0.3095 0.5361-0.0000 ( 6592 PWs) bands (ev): -18.3218 -18.3218 -18.1826 -18.1826 -17.7740 -17.7740 -17.6120 -17.6120 -16.6586 -16.6586 -16.6470 -16.6470 -16.6435 -16.6435 -16.6324 -16.6324 -7.6553 -7.6553 -7.3403 -7.3403 -6.5482 -6.5482 -6.2484 -6.2484 -4.8069 -4.8069 -4.7297 -4.7297 -4.6476 -4.6476 -4.4454 -4.4454 -2.4653 -2.4653 -2.3141 -2.3141 -2.2551 -2.2551 -2.1196 -2.1196 -1.6647 -1.6647 -1.0527 -1.0527 -0.9973 -0.9973 -0.9599 -0.9599 -0.8314 -0.8314 -0.6553 -0.6553 -0.6518 -0.6518 -0.3555 -0.3555 -0.2893 -0.2893 0.0499 0.0499 0.2334 0.2334 0.8898 0.8898 9.3871 9.3871 9.8474 9.8474 10.1098 10.1098 10.4249 10.4249 11.3148 11.3148 11.6020 11.6020 k = 0.3016 0.5224-0.0000 ( 6598 PWs) bands (ev): -18.3456 -18.3456 -18.1579 -18.1579 -17.8014 -17.8014 -17.5830 -17.5830 -16.6583 -16.6583 -16.6476 -16.6476 -16.6430 -16.6430 -16.6320 -16.6320 -7.7101 -7.7101 -7.2862 -7.2862 -6.6004 -6.6004 -6.1985 -6.1985 -4.8107 -4.8107 -4.7447 -4.7447 -4.6358 -4.6358 -4.4492 -4.4492 -2.4577 -2.4577 -2.3236 -2.3236 -2.2434 -2.2434 -2.1129 -2.1129 -1.6661 -1.6661 -1.0610 -1.0610 -1.0009 -1.0009 -0.9836 -0.9836 -0.8420 -0.8420 -0.7078 -0.7078 -0.5958 -0.5958 -0.3070 -0.3070 -0.2797 -0.2797 0.0146 0.0146 0.2631 0.2631 0.8946 0.8946 9.3261 9.3261 9.8447 9.8447 10.1072 10.1072 10.4912 10.4912 11.3000 11.3000 11.6002 11.6007 k = 0.2937 0.5086-0.0000 ( 6594 PWs) bands (ev): -18.3696 -18.3696 -18.1325 -18.1325 -17.8292 -17.8292 -17.5532 -17.5532 -16.6580 -16.6580 -16.6481 -16.6481 -16.6424 -16.6424 -16.6315 -16.6315 -7.7658 -7.7658 -7.2314 -7.2314 -6.6534 -6.6534 -6.1487 -6.1487 -4.8155 -4.8155 -4.7600 -4.7600 -4.6248 -4.6248 -4.4542 -4.4542 -2.4478 -2.4478 -2.3330 -2.3330 -2.2309 -2.2309 -2.1043 -2.1043 -1.6682 -1.6682 -1.0694 -1.0694 -1.0368 -1.0368 -0.9716 -0.9716 -0.8525 -0.8525 -0.7608 -0.7608 -0.5381 -0.5381 -0.2697 -0.2697 -0.2578 -0.2578 -0.0220 -0.0220 0.2931 0.2931 0.9003 0.9003 9.2514 9.2514 9.8410 9.8410 10.1191 10.1191 10.5573 10.5573 11.2802 11.2802 11.5977 11.5977 k = 0.2857 0.4949-0.0000 ( 6592 PWs) bands (ev): -18.3939 -18.3939 -18.1067 -18.1067 -17.8571 -17.8571 -17.5227 -17.5227 -16.6576 -16.6576 -16.6486 -16.6486 -16.6418 -16.6418 -16.6309 -16.6309 -7.8224 -7.8224 -7.1761 -7.1761 -6.7071 -6.7071 -6.0992 -6.0992 -4.8215 -4.8215 -4.7756 -4.7756 -4.6148 -4.6148 -4.4604 -4.4604 -2.4358 -2.4358 -2.3423 -2.3423 -2.2177 -2.2177 -2.0939 -2.0939 -1.6712 -1.6712 -1.0808 -1.0808 -1.0680 -1.0680 -0.9576 -0.9576 -0.8629 -0.8629 -0.8128 -0.8128 -0.4801 -0.4801 -0.2591 -0.2591 -0.2086 -0.2086 -0.0595 -0.0595 0.3234 0.3234 0.9068 0.9068 9.1668 9.1668 9.8364 9.8364 10.1413 10.1413 10.6229 10.6229 11.2553 11.2553 11.5943 11.5943 k = 0.2778 0.4811-0.0000 ( 6584 PWs) bands (ev): -18.4183 -18.4183 -18.0803 -18.0803 -17.8851 -17.8851 -17.4915 -17.4915 -16.6572 -16.6572 -16.6491 -16.6491 -16.6411 -16.6411 -16.6302 -16.6302 -7.8797 -7.8797 -7.1203 -7.1203 -6.7614 -6.7614 -6.0502 -6.0502 -4.8285 -4.8285 -4.7913 -4.7913 -4.6057 -4.6057 -4.4678 -4.4678 -2.4216 -2.4216 -2.3514 -2.3514 -2.2036 -2.2036 -2.0816 -2.0816 -1.6751 -1.6751 -1.1074 -1.1074 -1.0814 -1.0814 -0.9424 -0.9424 -0.8732 -0.8732 -0.8633 -0.8633 -0.4217 -0.4217 -0.2483 -0.2483 -0.1590 -0.1590 -0.0978 -0.0978 0.3538 0.3538 0.9138 0.9138 9.0757 9.0757 9.8307 9.8307 10.1706 10.1706 10.6876 10.6876 11.2251 11.2251 11.5751 11.5751 k = 0.2698 0.4674-0.0000 ( 6592 PWs) bands (ev): -18.4428 -18.4428 -18.0536 -18.0536 -17.9132 -17.9132 -17.4596 -17.4596 -16.6567 -16.6567 -16.6496 -16.6496 -16.6404 -16.6404 -16.6295 -16.6295 -7.9375 -7.9375 -7.0643 -7.0643 -6.8162 -6.8162 -6.0019 -6.0019 -4.8366 -4.8366 -4.8072 -4.8072 -4.5978 -4.5978 -4.4764 -4.4764 -2.4053 -2.4053 -2.3603 -2.3603 -2.1887 -2.1887 -2.0676 -2.0676 -1.6802 -1.6802 -1.1368 -1.1368 -1.0893 -1.0893 -0.9260 -0.9260 -0.9123 -0.9123 -0.8832 -0.8832 -0.3631 -0.3631 -0.2375 -0.2375 -0.1368 -0.1368 -0.1092 -0.1092 0.3845 0.3845 0.9213 0.9213 8.9804 8.9804 9.8239 9.8239 10.2042 10.2042 10.7511 10.7511 11.1897 11.1897 11.5328 11.5328 k = 0.2619 0.4536-0.0000 ( 6596 PWs) bands (ev): -18.4673 -18.4673 -18.0264 -18.0264 -17.9412 -17.9412 -17.4272 -17.4272 -16.6561 -16.6561 -16.6499 -16.6499 -16.6397 -16.6397 -16.6287 -16.6287 -7.9959 -7.9959 -7.0081 -7.0081 -6.8715 -6.8715 -5.9544 -5.9544 -4.8458 -4.8458 -4.8232 -4.8232 -4.5911 -4.5911 -4.4862 -4.4862 -2.3872 -2.3872 -2.3687 -2.3687 -2.1727 -2.1727 -2.0519 -2.0519 -1.6863 -1.6863 -1.1639 -1.1639 -1.0964 -1.0964 -0.9598 -0.9598 -0.9079 -0.9079 -0.8931 -0.8931 -0.3043 -0.3043 -0.2268 -0.2268 -0.1760 -0.1760 -0.0592 -0.0592 0.4152 0.4152 0.9291 0.9291 8.8826 8.8826 9.8160 9.8160 10.2402 10.2402 10.8132 10.8132 11.1494 11.1494 11.4908 11.4908 k = 0.2540 0.4399-0.0000 ( 6596 PWs) bands (ev): -18.4917 -18.4917 -17.9991 -17.9991 -17.9690 -17.9690 -17.3944 -17.3944 -16.6556 -16.6556 -16.6502 -16.6502 -16.6390 -16.6390 -16.6278 -16.6278 -8.0546 -8.0546 -6.9522 -6.9522 -6.9267 -6.9267 -5.9079 -5.9079 -4.8561 -4.8561 -4.8392 -4.8392 -4.5856 -4.5856 -4.4971 -4.4971 -2.3771 -2.3771 -2.3671 -2.3671 -2.1555 -2.1555 -2.0348 -2.0348 -1.6938 -1.6938 -1.1883 -1.1883 -1.1034 -1.1034 -1.0049 -1.0049 -0.9032 -0.9032 -0.8883 -0.8883 -0.2457 -0.2457 -0.2201 -0.2201 -0.2111 -0.2111 -0.0092 -0.0092 0.4460 0.4460 0.9371 0.9371 8.7835 8.7835 9.8070 9.8070 10.2769 10.2769 10.8736 10.8736 11.1044 11.1044 11.4497 11.4497 k = 0.2460 0.4261-0.0000 ( 6598 PWs) bands (ev): -18.5161 -18.5161 -17.9970 -17.9970 -17.9711 -17.9711 -17.3611 -17.3611 -16.6552 -16.6552 -16.6503 -16.6503 -16.6382 -16.6382 -16.6270 -16.6270 -8.1136 -8.1136 -6.9833 -6.9833 -6.8950 -6.8950 -5.8625 -5.8625 -4.8675 -4.8675 -4.8550 -4.8550 -4.5815 -4.5815 -4.5091 -4.5091 -2.3845 -2.3845 -2.3460 -2.3460 -2.1371 -2.1371 -2.0163 -2.0163 -1.7024 -1.7024 -1.2098 -1.2098 -1.1108 -1.1108 -1.0474 -1.0474 -0.9128 -0.9128 -0.8675 -0.8675 -0.2563 -0.2563 -0.2052 -0.2052 -0.1853 -0.1853 0.0410 0.0410 0.4769 0.4769 0.9453 0.9453 8.6840 8.6840 9.7968 9.7968 10.3130 10.3130 10.9320 10.9320 11.0553 11.0553 11.4097 11.4097 k = 0.2381 0.4124-0.0000 ( 6606 PWs) bands (ev): -18.5403 -18.5403 -18.0244 -18.0244 -17.9434 -17.9434 -17.3274 -17.3274 -16.6548 -16.6548 -16.6502 -16.6502 -16.6374 -16.6374 -16.6261 -16.6261 -8.1728 -8.1728 -7.0393 -7.0393 -6.8388 -6.8388 -5.8184 -5.8184 -4.8802 -4.8802 -4.8703 -4.8703 -4.5788 -4.5788 -4.5220 -4.5220 -2.3915 -2.3915 -2.3236 -2.3236 -2.1172 -2.1172 -1.9967 -1.9967 -1.7123 -1.7123 -1.2284 -1.2284 -1.1208 -1.1208 -1.0849 -1.0849 -0.9223 -0.9223 -0.8451 -0.8451 -0.2959 -0.2959 -0.1942 -0.1942 -0.1268 -0.1268 0.0911 0.0911 0.5078 0.5078 0.9536 0.9536 8.5847 8.5847 9.7854 9.7854 10.3471 10.3471 10.9881 10.9881 11.0024 11.0024 11.3710 11.3710 k = 0.2302 0.3986-0.0000 ( 6614 PWs) bands (ev): -18.5642 -18.5642 -18.0516 -18.0516 -17.9155 -17.9155 -17.2935 -17.2935 -16.6545 -16.6545 -16.6499 -16.6499 -16.6366 -16.6366 -16.6251 -16.6251 -8.2319 -8.2319 -7.0953 -7.0953 -6.7827 -6.7827 -5.7757 -5.7757 -4.8943 -4.8943 -4.8851 -4.8851 -4.5775 -4.5775 -4.5360 -4.5360 -2.3980 -2.3980 -2.3005 -2.3005 -2.0955 -2.0955 -1.9761 -1.9761 -1.7232 -1.7232 -1.2443 -1.2443 -1.1422 -1.1422 -1.1086 -1.1086 -0.9317 -0.9317 -0.8211 -0.8211 -0.3357 -0.3357 -0.1835 -0.1835 -0.0678 -0.0678 0.1411 0.1411 0.5386 0.5386 0.9620 0.9620 8.4861 8.4861 9.7730 9.7730 10.3783 10.3783 10.9459 10.9459 11.0422 11.0422 11.3336 11.3336 k = 0.2222 0.3849-0.0000 ( 6618 PWs) bands (ev): -18.5879 -18.5879 -18.0784 -18.0784 -17.8875 -17.8875 -17.2594 -17.2594 -16.6544 -16.6544 -16.6494 -16.6494 -16.6358 -16.6358 -16.6242 -16.6242 -8.2910 -8.2910 -7.1512 -7.1512 -6.7269 -6.7269 -5.7344 -5.7344 -4.9094 -4.9094 -4.8995 -4.8995 -4.5776 -4.5776 -4.5507 -4.5507 -2.4038 -2.4038 -2.2771 -2.2771 -2.0719 -2.0719 -1.9548 -1.9548 -1.7351 -1.7351 -1.2576 -1.2576 -1.1750 -1.1750 -1.1185 -1.1185 -0.9410 -0.9410 -0.7954 -0.7954 -0.3753 -0.3753 -0.1731 -0.1731 -0.0089 -0.0089 0.1911 0.1911 0.5693 0.5693 0.9703 0.9703 8.3884 8.3884 9.7594 9.7594 10.4052 10.4052 10.8868 10.8868 11.0938 11.0938 11.2976 11.2976 k = 0.2143 0.3712-0.0000 ( 6614 PWs) bands (ev): -18.6112 -18.6112 -18.1048 -18.1048 -17.8596 -17.8596 -17.2251 -17.2251 -16.6543 -16.6543 -16.6487 -16.6487 -16.6349 -16.6349 -16.6232 -16.6232 -8.3499 -8.3499 -7.2070 -7.2070 -6.6714 -6.6714 -5.6946 -5.6946 -4.9251 -4.9251 -4.9139 -4.9139 -4.5793 -4.5793 -4.5661 -4.5661 -2.4089 -2.4089 -2.2537 -2.2537 -2.0461 -2.0461 -1.9329 -1.9329 -1.7477 -1.7477 -1.2685 -1.2685 -1.2091 -1.2091 -1.1246 -1.1246 -0.9502 -0.9502 -0.7681 -0.7681 -0.4147 -0.4147 -0.1628 -0.1628 0.0500 0.0500 0.2408 0.2408 0.5998 0.5998 0.9785 0.9785 8.2922 8.2922 9.7448 9.7448 10.4271 10.4271 10.8255 10.8255 11.1429 11.1429 11.2631 11.2631 k = 0.2063 0.3574-0.0000 ( 6614 PWs) bands (ev): -18.6341 -18.6341 -18.1307 -18.1307 -17.8319 -17.8319 -17.1908 -17.1908 -16.6542 -16.6542 -16.6478 -16.6478 -16.6341 -16.6341 -16.6223 -16.6223 -8.4084 -8.4084 -7.2624 -7.2624 -6.6164 -6.6164 -5.6565 -5.6565 -4.9410 -4.9410 -4.9285 -4.9285 -4.5843 -4.5843 -4.5802 -4.5802 -2.4133 -2.4133 -2.2307 -2.2307 -2.0180 -2.0180 -1.9107 -1.9107 -1.7608 -1.7608 -1.2772 -1.2772 -1.2420 -1.2420 -1.1296 -1.1296 -0.9592 -0.9592 -0.7391 -0.7391 -0.4538 -0.4538 -0.1527 -0.1527 0.1085 0.1085 0.2902 0.2902 0.6301 0.6301 0.9866 0.9866 8.1975 8.1975 9.7293 9.7293 10.4431 10.4431 10.7623 10.7623 11.1898 11.1898 11.2299 11.2299 k = 0.1984 0.3437-0.0000 ( 6614 PWs) bands (ev): -18.6565 -18.6565 -18.1560 -18.1560 -17.8043 -17.8043 -17.1566 -17.1566 -16.6541 -16.6541 -16.6469 -16.6469 -16.6332 -16.6332 -16.6213 -16.6213 -8.4664 -8.4664 -7.3174 -7.3174 -6.5618 -6.5618 -5.6199 -5.6199 -4.9569 -4.9569 -4.9434 -4.9434 -4.5996 -4.5996 -4.5859 -4.5859 -2.4171 -2.4171 -2.2085 -2.2085 -1.9874 -1.9874 -1.8883 -1.8883 -1.7742 -1.7742 -1.2842 -1.2842 -1.2729 -1.2729 -1.1339 -1.1339 -0.9682 -0.9682 -0.7085 -0.7085 -0.4925 -0.4925 -0.1428 -0.1428 0.1668 0.1668 0.3394 0.3394 0.6601 0.6601 0.9946 0.9946 8.1047 8.1047 9.7129 9.7129 10.4526 10.4526 10.6977 10.6977 11.1982 11.1982 11.2344 11.2344 k = 0.1905 0.3299-0.0000 ( 6614 PWs) bands (ev): -18.6785 -18.6785 -18.1807 -18.1807 -17.7770 -17.7770 -17.1226 -17.1226 -16.6539 -16.6539 -16.6459 -16.6459 -16.6323 -16.6323 -16.6203 -16.6203 -8.5238 -8.5238 -7.3717 -7.3717 -6.5078 -6.5078 -5.5851 -5.5851 -4.9728 -4.9728 -4.9585 -4.9585 -4.6167 -4.6167 -4.5918 -4.5918 -2.4201 -2.4201 -2.1871 -2.1871 -1.9545 -1.9545 -1.8660 -1.8660 -1.7878 -1.7878 -1.3031 -1.3031 -1.2885 -1.2885 -1.1378 -1.1378 -0.9770 -0.9770 -0.6763 -0.6763 -0.5308 -0.5308 -0.1331 -0.1331 0.2247 0.2247 0.3881 0.3881 0.6898 0.6898 1.0025 1.0025 8.0138 8.0138 9.6958 9.6958 10.4554 10.4554 10.6323 10.6323 11.1680 11.1680 11.2769 11.2769 k = 0.1825 0.3162-0.0000 ( 6617 PWs) bands (ev): -18.7000 -18.7000 -18.2048 -18.2048 -17.7501 -17.7501 -17.0887 -17.0887 -16.6537 -16.6537 -16.6449 -16.6449 -16.6315 -16.6315 -16.6194 -16.6194 -8.5804 -8.5804 -7.4254 -7.4254 -6.4544 -6.4544 -5.5519 -5.5519 -4.9885 -4.9885 -4.9737 -4.9737 -4.6341 -4.6341 -4.5990 -4.5990 -2.4224 -2.4224 -2.1668 -2.1668 -1.9193 -1.9193 -1.8440 -1.8440 -1.8012 -1.8012 -1.3303 -1.3303 -1.2923 -1.2923 -1.1413 -1.1413 -0.9857 -0.9857 -0.6427 -0.6427 -0.5686 -0.5686 -0.1237 -0.1237 0.2821 0.2821 0.4364 0.4364 0.7191 0.7191 1.0101 1.0101 7.9252 7.9252 9.6781 9.6781 10.4515 10.4515 10.5663 10.5663 11.1392 11.1392 11.3175 11.3175 k = 0.1746 0.3024-0.0000 ( 6609 PWs) bands (ev): -18.7208 -18.7208 -18.2282 -18.2282 -17.7236 -17.7236 -17.0552 -17.0552 -16.6534 -16.6534 -16.6439 -16.6439 -16.6306 -16.6306 -16.6184 -16.6184 -8.6361 -8.6361 -7.4781 -7.4781 -6.4018 -6.4018 -5.5205 -5.5205 -5.0039 -5.0039 -4.9891 -4.9891 -4.6517 -4.6517 -4.6074 -4.6074 -2.4240 -2.4240 -2.1475 -2.1475 -1.8823 -1.8823 -1.8225 -1.8225 -1.8143 -1.8143 -1.3559 -1.3559 -1.2947 -1.2947 -1.1445 -1.1445 -0.9944 -0.9944 -0.6088 -0.6088 -0.6049 -0.6049 -0.1146 -0.1146 0.3390 0.3390 0.4841 0.4841 0.7479 0.7479 1.0176 1.0176 7.8389 7.8389 9.6598 9.6598 10.4412 10.4412 10.5003 10.5003 11.1118 11.1118 11.3564 11.3564 k = 0.1667 0.2887-0.0000 ( 6621 PWs) bands (ev): -18.7410 -18.7410 -18.2509 -18.2509 -17.6977 -17.6977 -17.0222 -17.0222 -16.6530 -16.6530 -16.6428 -16.6428 -16.6298 -16.6298 -16.6175 -16.6175 -8.6908 -8.6908 -7.5299 -7.5299 -6.3499 -6.3499 -5.4907 -5.4907 -5.0192 -5.0192 -5.0044 -5.0044 -4.6695 -4.6695 -4.6170 -4.6170 -2.4250 -2.4250 -2.1293 -2.1293 -1.8437 -1.8437 -1.8270 -1.8270 -1.8014 -1.8014 -1.3798 -1.3798 -1.2959 -1.2959 -1.1474 -1.1474 -1.0029 -1.0029 -0.6426 -0.6426 -0.5716 -0.5716 -0.1057 -0.1057 0.3951 0.3951 0.5311 0.5311 0.7761 0.7761 1.0248 1.0248 7.7552 7.7552 9.6412 9.6412 10.4251 10.4251 10.4345 10.4345 11.0859 11.0859 11.3936 11.3936 k = 0.1587 0.2749-0.0000 ( 6609 PWs) bands (ev): -18.7606 -18.7606 -18.2728 -18.2728 -17.6723 -17.6723 -16.9897 -16.9897 -16.6525 -16.6525 -16.6417 -16.6417 -16.6290 -16.6290 -16.6166 -16.6166 -8.7443 -8.7443 -7.5805 -7.5805 -6.2989 -6.2989 -5.4626 -5.4626 -5.0342 -5.0342 -5.0197 -5.0197 -4.6871 -4.6871 -4.6278 -4.6278 -2.4253 -2.4253 -2.1119 -2.1119 -1.8392 -1.8392 -1.8037 -1.8037 -1.7811 -1.7811 -1.4019 -1.4019 -1.2963 -1.2963 -1.1499 -1.1499 -1.0114 -1.0114 -0.6786 -0.6786 -0.5346 -0.5346 -0.0972 -0.0972 0.4504 0.4504 0.5774 0.5774 0.8038 0.8038 1.0318 1.0318 7.6741 7.6741 9.6223 9.6223 10.3694 10.3694 10.4041 10.4041 11.0614 11.0614 11.4293 11.4293 k = 0.1508 0.2612-0.0000 ( 6603 PWs) bands (ev): -18.7794 -18.7794 -18.2938 -18.2938 -17.6477 -17.6477 -16.9578 -16.9578 -16.6519 -16.6519 -16.6407 -16.6407 -16.6282 -16.6282 -16.6157 -16.6157 -8.7964 -8.7964 -7.6298 -7.6298 -6.2488 -6.2488 -5.4363 -5.4363 -5.0488 -5.0488 -5.0347 -5.0347 -4.7046 -4.7046 -4.6398 -4.6398 -2.4250 -2.4250 -2.0954 -2.0954 -1.8507 -1.8507 -1.7636 -1.7636 -1.7610 -1.7610 -1.4223 -1.4223 -1.2958 -1.2958 -1.1522 -1.1522 -1.0197 -1.0197 -0.7139 -0.7139 -0.4968 -0.4968 -0.0889 -0.0889 0.5047 0.5047 0.6229 0.6229 0.8307 0.8307 1.0385 1.0385 7.5958 7.5958 9.6033 9.6033 10.3051 10.3051 10.3788 10.3788 11.0383 11.0383 11.4381 11.4553 k = 0.1429 0.2474-0.0000 ( 6619 PWs) bands (ev): -18.7975 -18.7975 -18.3140 -18.3140 -17.6238 -17.6238 -16.9267 -16.9267 -16.6512 -16.6512 -16.6396 -16.6396 -16.6274 -16.6274 -16.6148 -16.6148 -8.8471 -8.8471 -7.6776 -7.6776 -6.1996 -6.1996 -5.4115 -5.4115 -5.0631 -5.0631 -5.0495 -5.0495 -4.7219 -4.7219 -4.6528 -4.6528 -2.4243 -2.4243 -2.0797 -2.0797 -1.8614 -1.8614 -1.7431 -1.7431 -1.7217 -1.7217 -1.4412 -1.4412 -1.2947 -1.2947 -1.1543 -1.1543 -1.0279 -1.0279 -0.7484 -0.7484 -0.4585 -0.4585 -0.0810 -0.0810 0.5579 0.5579 0.6674 0.6674 0.8569 0.8569 1.0450 1.0450 7.5205 7.5205 9.5844 9.5844 10.2421 10.2421 10.3501 10.3501 11.0166 11.0166 11.3888 11.3888 k = 0.1349 0.2337-0.0000 ( 6621 PWs) bands (ev): -18.8148 -18.8148 -18.3333 -18.3333 -17.6008 -17.6008 -16.8965 -16.8965 -16.6505 -16.6505 -16.6385 -16.6385 -16.6266 -16.6266 -16.6140 -16.6140 -8.8961 -8.8961 -7.7239 -7.7239 -6.1516 -6.1516 -5.3884 -5.3884 -5.0770 -5.0770 -5.0639 -5.0639 -4.7387 -4.7387 -4.6668 -4.6668 -2.4231 -2.4231 -2.0648 -2.0648 -1.8714 -1.8714 -1.7255 -1.7255 -1.6804 -1.6804 -1.4585 -1.4585 -1.2931 -1.2931 -1.1561 -1.1561 -1.0361 -1.0361 -0.7820 -0.7820 -0.4201 -0.4201 -0.0734 -0.0734 0.6099 0.6099 0.7108 0.7108 0.8822 0.8822 1.0512 1.0512 7.4483 7.4483 9.5656 9.5656 10.1806 10.1806 10.3188 10.3188 10.9962 10.9962 11.3400 11.3400 k = 0.1270 0.2199-0.0000 ( 6617 PWs) bands (ev): -18.8313 -18.8313 -18.3517 -18.3517 -17.5787 -17.5787 -16.8673 -16.8673 -16.6497 -16.6497 -16.6374 -16.6374 -16.6259 -16.6259 -16.6132 -16.6132 -8.9433 -8.9433 -7.7685 -7.7685 -6.1047 -6.1047 -5.3668 -5.3668 -5.0905 -5.0905 -5.0778 -5.0778 -4.7551 -4.7551 -4.6816 -4.6816 -2.4214 -2.4214 -2.0506 -2.0506 -1.8805 -1.8805 -1.7088 -1.7088 -1.6393 -1.6393 -1.4744 -1.4744 -1.2909 -1.2909 -1.1577 -1.1577 -1.0441 -1.0441 -0.8148 -0.8148 -0.3817 -0.3817 -0.0662 -0.0662 0.6604 0.6604 0.7530 0.7530 0.9067 0.9067 1.0570 1.0570 7.3792 7.3792 9.5472 9.5472 10.1210 10.1210 10.2858 10.2858 10.9772 10.9772 11.2919 11.2919 k = 0.1190 0.2062-0.0000 ( 6625 PWs) bands (ev): -18.8469 -18.8469 -18.3691 -18.3691 -17.5575 -17.5575 -16.8391 -16.8391 -16.6488 -16.6488 -16.6364 -16.6364 -16.6251 -16.6251 -16.6124 -16.6124 -8.9886 -8.9886 -7.8111 -7.8111 -6.0590 -6.0590 -5.3468 -5.3468 -5.1036 -5.1036 -5.0912 -5.0912 -4.7709 -4.7709 -4.6972 -4.6972 -2.4195 -2.4195 -2.0371 -2.0371 -1.8887 -1.8887 -1.6932 -1.6932 -1.5987 -1.5987 -1.4890 -1.4890 -1.2882 -1.2882 -1.1591 -1.1591 -1.0520 -1.0520 -0.8466 -0.8466 -0.3437 -0.3437 -0.0593 -0.0593 0.7093 0.7093 0.7939 0.7939 0.9301 0.9301 1.0626 1.0626 7.3136 7.3136 9.5292 9.5292 10.0633 10.0633 10.2516 10.2516 10.9595 10.9595 11.2449 11.2449 k = 0.1111 0.1925-0.0000 ( 6623 PWs) bands (ev): -18.8617 -18.8617 -18.3856 -18.3856 -17.5375 -17.5375 -16.8121 -16.8121 -16.6479 -16.6479 -16.6354 -16.6354 -16.6244 -16.6244 -16.6117 -16.6117 -9.0318 -9.0318 -7.8518 -7.8518 -6.0147 -6.0147 -5.3283 -5.3283 -5.1161 -5.1161 -5.1039 -5.1039 -4.7860 -4.7860 -4.7135 -4.7135 -2.4173 -2.4173 -2.0243 -2.0243 -1.8961 -1.8961 -1.6787 -1.6787 -1.5590 -1.5590 -1.5022 -1.5022 -1.2852 -1.2852 -1.1603 -1.1603 -1.0598 -1.0598 -0.8775 -0.8775 -0.3065 -0.3065 -0.0528 -0.0528 0.7564 0.7564 0.8333 0.8333 0.9525 0.9525 1.0679 1.0679 7.2514 7.2514 9.5117 9.5117 10.0080 10.0080 10.2169 10.2169 10.9430 10.9430 11.1992 11.1992 k = 0.1032 0.1787-0.0000 ( 6625 PWs) bands (ev): -18.8755 -18.8755 -18.4010 -18.4010 -17.5185 -17.5185 -16.7865 -16.7865 -16.6469 -16.6469 -16.6343 -16.6343 -16.6237 -16.6237 -16.6109 -16.6109 -9.0728 -9.0728 -7.8903 -7.8903 -5.9719 -5.9719 -5.3113 -5.3113 -5.1281 -5.1281 -5.1160 -5.1160 -4.8004 -4.8004 -4.7303 -4.7303 -2.4148 -2.4148 -2.0122 -2.0122 -1.9027 -1.9027 -1.6652 -1.6652 -1.5204 -1.5204 -1.5142 -1.5142 -1.2817 -1.2817 -1.1614 -1.1614 -1.0676 -1.0676 -0.9072 -0.9072 -0.2702 -0.2702 -0.0467 -0.0467 0.8015 0.8015 0.8711 0.8711 0.9737 0.9737 1.0728 1.0728 7.1928 7.1928 9.4949 9.4949 9.9552 9.9552 10.1823 10.1823 10.9278 10.9278 11.1551 11.1551 k = 0.0952 0.1650-0.0000 ( 6609 PWs) bands (ev): -18.8885 -18.8885 -18.4153 -18.4153 -17.5007 -17.5007 -16.7622 -16.7622 -16.6460 -16.6460 -16.6333 -16.6333 -16.6230 -16.6230 -16.6103 -16.6103 -9.1114 -9.1114 -7.9266 -7.9266 -5.9306 -5.9306 -5.2957 -5.2957 -5.1394 -5.1394 -5.1273 -5.1273 -4.8140 -4.8140 -4.7474 -4.7474 -2.4123 -2.4123 -2.0009 -2.0009 -1.9084 -1.9084 -1.6527 -1.6527 -1.5250 -1.5250 -1.4831 -1.4831 -1.2779 -1.2779 -1.1623 -1.1623 -1.0752 -1.0752 -0.9359 -0.9359 -0.2353 -0.2353 -0.0410 -0.0410 0.8443 0.8443 0.9071 0.9071 0.9938 0.9938 1.0775 1.0775 7.1379 7.1379 9.4790 9.4790 9.9053 9.9053 10.1484 10.1484 10.9138 10.9138 11.1130 11.1130 k = 0.0873 0.1512-0.0000 ( 6601 PWs) bands (ev): -18.9004 -18.9004 -18.4286 -18.4286 -17.4842 -17.4842 -16.7395 -16.7395 -16.6450 -16.6450 -16.6323 -16.6323 -16.6224 -16.6224 -16.6097 -16.6097 -9.1474 -9.1474 -7.9605 -7.9605 -5.8911 -5.8911 -5.2815 -5.2815 -5.1501 -5.1501 -5.1378 -5.1378 -4.8267 -4.8267 -4.7648 -4.7648 -2.4097 -2.4097 -1.9903 -1.9903 -1.9132 -1.9132 -1.6414 -1.6414 -1.5348 -1.5348 -1.4475 -1.4475 -1.2736 -1.2736 -1.1630 -1.1630 -1.0828 -1.0828 -0.9634 -0.9634 -0.2020 -0.2020 -0.0358 -0.0358 0.8847 0.8847 0.9411 0.9411 1.0127 1.0127 1.0818 1.0818 7.0869 7.0869 9.4639 9.4639 9.8583 9.8583 10.1155 10.1155 10.9011 10.9011 11.0731 11.0731 k = 0.0794 0.1375-0.0000 ( 6605 PWs) bands (ev): -18.9115 -18.9115 -18.4408 -18.4408 -17.4690 -17.4690 -16.7185 -16.7185 -16.6441 -16.6441 -16.6314 -16.6314 -16.6217 -16.6217 -16.6091 -16.6091 -9.1809 -9.1809 -7.9918 -7.9918 -5.8536 -5.8536 -5.2688 -5.2688 -5.1601 -5.1601 -5.1475 -5.1475 -4.8385 -4.8385 -4.7822 -4.7822 -2.4071 -2.4071 -1.9804 -1.9804 -1.9174 -1.9174 -1.6311 -1.6311 -1.5434 -1.5434 -1.4137 -1.4137 -1.2690 -1.2690 -1.1637 -1.1637 -1.0903 -1.0903 -0.9896 -0.9896 -0.1706 -0.1706 -0.0309 -0.0309 0.9224 0.9224 0.9729 0.9729 1.0302 1.0302 1.0858 1.0858 7.0399 7.0399 9.4498 9.4498 9.8145 9.8145 10.0841 10.0841 10.8895 10.8895 11.0356 11.0356 k = 0.0714 0.1237-0.0000 ( 6605 PWs) bands (ev): -18.9215 -18.9215 -18.4519 -18.4519 -17.4551 -17.4551 -16.6992 -16.6992 -16.6432 -16.6432 -16.6305 -16.6305 -16.6210 -16.6210 -16.6086 -16.6086 -9.2115 -9.2115 -8.0205 -8.0205 -5.8182 -5.8182 -5.2574 -5.2574 -5.1692 -5.1692 -5.1564 -5.1564 -4.8493 -4.8493 -4.7993 -4.7993 -2.4046 -2.4046 -1.9714 -1.9714 -1.9208 -1.9208 -1.6218 -1.6218 -1.5511 -1.5511 -1.3818 -1.3818 -1.2639 -1.2639 -1.1642 -1.1642 -1.0978 -1.0978 -1.0146 -1.0146 -0.1413 -0.1413 -0.0265 -0.0265 0.9572 0.9572 1.0024 1.0024 1.0464 1.0464 1.0896 1.0896 6.9969 6.9969 9.4367 9.4367 9.7742 9.7742 10.0546 10.0546 10.8790 10.8790 11.0007 11.0007 k = 0.0635 0.1100-0.0000 ( 6613 PWs) bands (ev): -18.9305 -18.9305 -18.4619 -18.4619 -17.4425 -17.4425 -16.6818 -16.6818 -16.6424 -16.6424 -16.6296 -16.6296 -16.6203 -16.6203 -16.6081 -16.6081 -9.2393 -9.2393 -8.0465 -8.0465 -5.7852 -5.7852 -5.2473 -5.2473 -5.1774 -5.1774 -5.1645 -5.1645 -4.8591 -4.8591 -4.8160 -4.8160 -2.4022 -2.4022 -1.9632 -1.9632 -1.9236 -1.9236 -1.6136 -1.6136 -1.5578 -1.5578 -1.3521 -1.3521 -1.2584 -1.2584 -1.1646 -1.1646 -1.1054 -1.1054 -1.0382 -1.0382 -0.1145 -0.1145 -0.0224 -0.0224 0.9887 0.9887 1.0292 1.0292 1.0613 1.0613 1.0930 1.0930 6.9581 6.9581 9.4248 9.4248 9.7374 9.7374 10.0273 10.0273 10.8696 10.8696 10.9687 10.9687 k = 0.0556 0.0962-0.0000 ( 6625 PWs) bands (ev): -18.9385 -18.9385 -18.4707 -18.4707 -17.4314 -17.4314 -16.6664 -16.6664 -16.6416 -16.6416 -16.6288 -16.6288 -16.6194 -16.6194 -16.6076 -16.6076 -9.2641 -9.2641 -8.0697 -8.0697 -5.7548 -5.7548 -5.2387 -5.2387 -5.1846 -5.1846 -5.1716 -5.1716 -4.8679 -4.8679 -4.8320 -4.8320 -2.4000 -2.4000 -1.9558 -1.9558 -1.9258 -1.9258 -1.6064 -1.6064 -1.5636 -1.5636 -1.3247 -1.3247 -1.2523 -1.2523 -1.1649 -1.1649 -1.1130 -1.1130 -1.0604 -1.0604 -0.0904 -0.0904 -0.0189 -0.0189 1.0167 1.0167 1.0532 1.0532 1.0749 1.0749 1.0963 1.0963 6.9237 6.9237 9.4142 9.4142 9.7045 9.7045 10.0025 10.0025 10.8612 10.8612 10.9399 10.9399 k = 0.0476 0.0825-0.0000 ( 6617 PWs) bands (ev): -18.9454 -18.9454 -18.4784 -18.4784 -17.4217 -17.4217 -16.6532 -16.6532 -16.6409 -16.6409 -16.6280 -16.6280 -16.6184 -16.6184 -16.6073 -16.6073 -9.2858 -9.2858 -8.0900 -8.0900 -5.7274 -5.7274 -5.2315 -5.2315 -5.1907 -5.1907 -5.1778 -5.1778 -4.8756 -4.8756 -4.8467 -4.8467 -2.3980 -2.3980 -1.9494 -1.9494 -1.9275 -1.9275 -1.6003 -1.6003 -1.5685 -1.5685 -1.2996 -1.2996 -1.2456 -1.2456 -1.1651 -1.1651 -1.1209 -1.1209 -1.0810 -1.0810 -0.0691 -0.0691 -0.0157 -0.0157 1.0409 1.0409 1.0739 1.0739 1.0875 1.0875 1.0995 1.0995 6.8936 6.8936 9.4048 9.4048 9.6756 9.6756 9.9805 9.9805 10.8538 10.8538 10.9144 10.9144 k = 0.0397 0.0687-0.0000 ( 6623 PWs) bands (ev): -18.9513 -18.9513 -18.4850 -18.4850 -17.4134 -17.4134 -16.6426 -16.6426 -16.6404 -16.6404 -16.6273 -16.6273 -16.6168 -16.6168 -16.6069 -16.6069 -9.3043 -9.3043 -8.1072 -8.1072 -5.7034 -5.7034 -5.2259 -5.2259 -5.1956 -5.1956 -5.1831 -5.1831 -4.8824 -4.8824 -4.8600 -4.8600 -2.3962 -2.3962 -1.9439 -1.9439 -1.9288 -1.9288 -1.5952 -1.5952 -1.5725 -1.5725 -1.2770 -1.2770 -1.2383 -1.2383 -1.1653 -1.1653 -1.1291 -1.1291 -1.1001 -1.1001 -0.0508 -0.0508 -0.0129 -0.0129 1.0607 1.0607 1.0901 1.0901 1.0995 1.0995 1.1036 1.1036 6.8680 6.8680 9.3968 9.3968 9.6509 9.6509 9.9614 9.9614 10.8472 10.8472 10.8926 10.8926 k = 0.0317 0.0550-0.0000 ( 6629 PWs) bands (ev): -18.9562 -18.9562 -18.4903 -18.4903 -17.4066 -17.4066 -16.6399 -16.6399 -16.6349 -16.6349 -16.6268 -16.6268 -16.6146 -16.6146 -16.6066 -16.6066 -9.3195 -9.3195 -8.1215 -8.1215 -5.6830 -5.6830 -5.2220 -5.2220 -5.1989 -5.1989 -5.1874 -5.1874 -4.8882 -4.8882 -4.8713 -4.8713 -2.3948 -2.3948 -1.9393 -1.9393 -1.9298 -1.9298 -1.5912 -1.5912 -1.5755 -1.5755 -1.2572 -1.2572 -1.2300 -1.2300 -1.1653 -1.1653 -1.1378 -1.1378 -1.1172 -1.1172 -0.0359 -0.0359 -0.0105 -0.0105 1.0757 1.0757 1.0996 1.0996 1.1085 1.1085 1.1131 1.1131 6.8469 6.8469 9.3902 9.3902 9.6304 9.6304 9.9456 9.9456 10.8413 10.8413 10.8750 10.8750 k = 0.0238 0.0412-0.0000 ( 6637 PWs) bands (ev): -18.9599 -18.9599 -18.4945 -18.4945 -17.4013 -17.4013 -16.6395 -16.6395 -16.6300 -16.6300 -16.6263 -16.6263 -16.6116 -16.6116 -16.6063 -16.6063 -9.3315 -9.3315 -8.1326 -8.1326 -5.6667 -5.6667 -5.2199 -5.2199 -5.2008 -5.2008 -5.1907 -5.1907 -4.8932 -4.8932 -4.8801 -4.8801 -2.3936 -2.3936 -1.9358 -1.9358 -1.9304 -1.9304 -1.5885 -1.5885 -1.5775 -1.5775 -1.2408 -1.2408 -1.2206 -1.2206 -1.1651 -1.1651 -1.1475 -1.1475 -1.1320 -1.1320 -0.0245 -0.0245 -0.0083 -0.0083 1.0859 1.0859 1.1042 1.1042 1.1167 1.1167 1.1240 1.1240 6.8305 6.8305 9.3850 9.3850 9.6144 9.6144 9.9331 9.9331 10.8358 10.8358 10.8618 10.8618 k = 0.0159 0.0275-0.0000 ( 6633 PWs) bands (ev): -18.9626 -18.9626 -18.4975 -18.4975 -17.3975 -17.3975 -16.6392 -16.6392 -16.6275 -16.6275 -16.6260 -16.6260 -16.6088 -16.6088 -16.6060 -16.6060 -9.3400 -9.3400 -8.1405 -8.1405 -5.6547 -5.6547 -5.2192 -5.2192 -5.2014 -5.2014 -5.1929 -5.1929 -4.8974 -4.8974 -4.8862 -4.8862 -2.3928 -2.3928 -1.9332 -1.9332 -1.9308 -1.9308 -1.5871 -1.5871 -1.5784 -1.5784 -1.2284 -1.2284 -1.2097 -1.2097 -1.1647 -1.1647 -1.1582 -1.1582 -1.1438 -1.1438 -0.0169 -0.0169 -0.0060 -0.0060 1.0918 1.0918 1.1074 1.1074 1.1237 1.1237 1.1323 1.1323 6.8187 6.8187 9.3813 9.3813 9.6029 9.6029 9.9241 9.9241 10.8308 10.8308 10.8533 10.8533 k = 0.0079 0.0137-0.0000 ( 6631 PWs) bands (ev): -18.9643 -18.9643 -18.4993 -18.4993 -17.3953 -17.3953 -16.6391 -16.6391 -16.6263 -16.6263 -16.6257 -16.6257 -16.6072 -16.6072 -16.6052 -16.6052 -9.3452 -9.3452 -8.1453 -8.1453 -5.6474 -5.6474 -5.2191 -5.2191 -5.2014 -5.2014 -5.1942 -5.1942 -4.9003 -4.9003 -4.8895 -4.8895 -2.3922 -2.3922 -1.9317 -1.9317 -1.9311 -1.9311 -1.5866 -1.5866 -1.5786 -1.5786 -1.2205 -1.2205 -1.1985 -1.1985 -1.1692 -1.1692 -1.1636 -1.1636 -1.1522 -1.1522 -0.0131 -0.0131 -0.0039 -0.0039 1.0947 1.0947 1.1095 1.1095 1.1282 1.1282 1.1374 1.1374 6.8116 6.8116 9.3791 9.3791 9.5959 9.5959 9.9187 9.9187 10.8272 10.8272 10.8488 10.8488 k = 0.0000 0.0000 0.0000 ( 6627 PWs) bands (ev): -18.9648 -18.9648 -18.4999 -18.4999 -17.3945 -17.3945 -16.6390 -16.6390 -16.6259 -16.6259 -16.6257 -16.6257 -16.6069 -16.6069 -16.6047 -16.6047 -9.3469 -9.3469 -8.1469 -8.1469 -5.6450 -5.6450 -5.2192 -5.2192 -5.2014 -5.2014 -5.1946 -5.1946 -4.9013 -4.9013 -4.8906 -4.8906 -2.3921 -2.3921 -1.9312 -1.9312 -1.9312 -1.9312 -1.5865 -1.5865 -1.5785 -1.5785 -1.2177 -1.2177 -1.1917 -1.1917 -1.1760 -1.1760 -1.1625 -1.1625 -1.1561 -1.1561 -0.0120 -0.0120 -0.0030 -0.0030 1.0955 1.0955 1.1102 1.1102 1.1298 1.1298 1.1391 1.1391 6.8092 6.8092 9.3783 9.3783 9.5936 9.5936 9.9169 9.9169 10.8259 10.8259 10.8474 10.8474 k = 0.0000 0.0000 0.0000 ( 6627 PWs) bands (ev): -18.9648 -18.9648 -18.4999 -18.4999 -17.3945 -17.3945 -16.6390 -16.6390 -16.6259 -16.6259 -16.6257 -16.6257 -16.6069 -16.6069 -16.6047 -16.6047 -9.3469 -9.3469 -8.1469 -8.1469 -5.6450 -5.6450 -5.2192 -5.2192 -5.2014 -5.2014 -5.1946 -5.1946 -4.9013 -4.9013 -4.8906 -4.8906 -2.3921 -2.3921 -1.9312 -1.9312 -1.9312 -1.9312 -1.5865 -1.5865 -1.5785 -1.5785 -1.2177 -1.2177 -1.1917 -1.1917 -1.1760 -1.1760 -1.1625 -1.1625 -1.1561 -1.1561 -0.0120 -0.0120 -0.0030 -0.0030 1.0955 1.0955 1.1102 1.1102 1.1298 1.1298 1.1391 1.1391 6.8092 6.8092 9.3783 9.3783 9.5936 9.5936 9.9169 9.9169 10.8259 10.8259 10.8474 10.8474 k = 0.0000 0.0000 0.0153 ( 6645 PWs) bands (ev): -18.9643 -18.9643 -18.5010 -18.5010 -17.3929 -17.3929 -16.6390 -16.6390 -16.6264 -16.6264 -16.6256 -16.6256 -16.6075 -16.6075 -16.6047 -16.6047 -9.3453 -9.3453 -8.1492 -8.1492 -5.6439 -5.6439 -5.2189 -5.2189 -5.2010 -5.2010 -5.1949 -5.1949 -4.9018 -4.9018 -4.8911 -4.8911 -2.3902 -2.3902 -1.9308 -1.9308 -1.9308 -1.9308 -1.5873 -1.5873 -1.5794 -1.5794 -1.2178 -1.2178 -1.1917 -1.1917 -1.1761 -1.1761 -1.1643 -1.1643 -1.1562 -1.1562 -0.0100 -0.0100 -0.0009 -0.0009 1.0940 1.0940 1.1087 1.1087 1.1298 1.1298 1.1390 1.1390 6.8114 6.8114 9.3330 9.3330 9.6399 9.6399 9.9182 9.9182 10.8278 10.8278 10.8493 10.8493 k = 0.0000 0.0000 0.0306 ( 6645 PWs) bands (ev): -18.9628 -18.9628 -18.5045 -18.5045 -17.3881 -17.3881 -16.6389 -16.6389 -16.6279 -16.6279 -16.6255 -16.6255 -16.6092 -16.6092 -16.6048 -16.6048 -9.3405 -9.3405 -8.1561 -8.1561 -5.6406 -5.6406 -5.2181 -5.2181 -5.1996 -5.1996 -5.1958 -5.1958 -4.9034 -4.9034 -4.8926 -4.8926 -2.3846 -2.3846 -1.9297 -1.9297 -1.9297 -1.9297 -1.5898 -1.5898 -1.5819 -1.5819 -1.2183 -1.2183 -1.1916 -1.1916 -1.1765 -1.1765 -1.1695 -1.1695 -1.1565 -1.1565 -0.0039 -0.0039 0.0052 0.0052 1.0894 1.0894 1.1039 1.1039 1.1299 1.1299 1.1388 1.1388 6.8179 6.8179 9.2443 9.2443 9.7316 9.7316 9.9222 9.9222 10.8336 10.8336 10.8551 10.8551 k = 0.0000 0.0000 0.0459 ( 6658 PWs) bands (ev): -18.9603 -18.9603 -18.5101 -18.5101 -17.3803 -17.3803 -16.6387 -16.6387 -16.6310 -16.6310 -16.6254 -16.6254 -16.6115 -16.6115 -16.6050 -16.6050 -9.3326 -9.3326 -8.1676 -8.1676 -5.6352 -5.6352 -5.2171 -5.2171 -5.1974 -5.1974 -5.1969 -5.1969 -4.9059 -4.9059 -4.8952 -4.8952 -2.3754 -2.3754 -1.9279 -1.9279 -1.9278 -1.9278 -1.5939 -1.5939 -1.5861 -1.5861 -1.2194 -1.2194 -1.1914 -1.1914 -1.1779 -1.1779 -1.1771 -1.1771 -1.1571 -1.1571 0.0061 0.0061 0.0153 0.0153 1.0818 1.0818 1.0960 1.0960 1.1299 1.1299 1.1385 1.1385 6.8288 6.8288 9.1456 9.1456 9.8354 9.8354 9.9289 9.9289 10.8431 10.8431 10.8646 10.8646 k = 0.0000 0.0000 0.0612 ( 6640 PWs) bands (ev): -18.9568 -18.9568 -18.5179 -18.5179 -17.3695 -17.3695 -16.6385 -16.6385 -16.6362 -16.6362 -16.6252 -16.6252 -16.6136 -16.6136 -16.6052 -16.6052 -9.3215 -9.3215 -8.1833 -8.1833 -5.6278 -5.6278 -5.2165 -5.2165 -5.1977 -5.1977 -5.1943 -5.1943 -4.9095 -4.9095 -4.8987 -4.8987 -2.3625 -2.3625 -1.9253 -1.9253 -1.9252 -1.9252 -1.5995 -1.5995 -1.5919 -1.5919 -1.2220 -1.2220 -1.1911 -1.1911 -1.1884 -1.1884 -1.1779 -1.1779 -1.1579 -1.1579 0.0200 0.0200 0.0292 0.0292 1.0711 1.0711 1.0851 1.0851 1.1300 1.1300 1.1382 1.1382 6.8439 6.8439 9.0445 9.0445 9.9382 9.9382 9.9436 9.9436 10.8564 10.8564 10.8750 10.8750 k = 0.0000 0.0000 0.0765 ( 6628 PWs) bands (ev): -18.9522 -18.9522 -18.5275 -18.5275 -17.3558 -17.3558 -16.6439 -16.6439 -16.6382 -16.6382 -16.6249 -16.6249 -16.6154 -16.6154 -16.6055 -16.6055 -9.3074 -9.3074 -8.2032 -8.2032 -5.6186 -5.6186 -5.2172 -5.2172 -5.1971 -5.1971 -5.1903 -5.1903 -4.9140 -4.9140 -4.9032 -4.9032 -2.3460 -2.3460 -1.9221 -1.9221 -1.9219 -1.9219 -1.6065 -1.6065 -1.5991 -1.5991 -1.2286 -1.2286 -1.1984 -1.1984 -1.1908 -1.1908 -1.1789 -1.1789 -1.1588 -1.1588 0.0375 0.0375 0.0469 0.0469 1.0573 1.0573 1.0711 1.0711 1.1301 1.1301 1.1379 1.1379 6.8633 6.8633 8.9431 8.9431 9.9501 9.9501 10.0539 10.0539 10.8594 10.8594 10.8732 10.8732 k = 0.0000 0.0000 0.0918 ( 6628 PWs) bands (ev): -18.9468 -18.9468 -18.5390 -18.5390 -17.3396 -17.3396 -16.6540 -16.6540 -16.6379 -16.6379 -16.6245 -16.6245 -16.6167 -16.6167 -16.6059 -16.6059 -9.2902 -9.2902 -8.2271 -8.2271 -5.6076 -5.6076 -5.2201 -5.2201 -5.1946 -5.1946 -5.1855 -5.1855 -4.9195 -4.9195 -4.9086 -4.9086 -2.3261 -2.3261 -1.9181 -1.9181 -1.9178 -1.9178 -1.6148 -1.6148 -1.6077 -1.6077 -1.2427 -1.2427 -1.2045 -1.2045 -1.1904 -1.1904 -1.1801 -1.1801 -1.1600 -1.1600 0.0585 0.0585 0.0681 0.0681 1.0406 1.0406 1.0541 1.0541 1.1302 1.1302 1.1376 1.1376 6.8868 6.8868 8.8423 8.8423 9.9645 9.9645 10.1656 10.1656 10.8408 10.8408 10.8936 10.8936 k = 0.0000 0.0000 0.1071 ( 6634 PWs) bands (ev): -18.9403 -18.9403 -18.5519 -18.5519 -17.3211 -17.3211 -16.6664 -16.6664 -16.6375 -16.6375 -16.6241 -16.6241 -16.6178 -16.6178 -16.6063 -16.6063 -9.2701 -9.2701 -8.2546 -8.2546 -5.5951 -5.5951 -5.2248 -5.2248 -5.1903 -5.1903 -5.1798 -5.1798 -4.9259 -4.9259 -4.9149 -4.9149 -2.3029 -2.3029 -1.9134 -1.9134 -1.9130 -1.9130 -1.6243 -1.6243 -1.6175 -1.6175 -1.2637 -1.2637 -1.2071 -1.2071 -1.1900 -1.1900 -1.1814 -1.1814 -1.1612 -1.1612 0.0828 0.0828 0.0925 0.0925 1.0209 1.0209 1.0343 1.0343 1.1303 1.1303 1.1373 1.1373 6.9145 6.9145 8.7425 8.7425 9.9813 9.9813 10.2780 10.2780 10.8193 10.8193 10.9172 10.9172 k = 0.0000 0.0000 0.1224 ( 6610 PWs) bands (ev): -18.9329 -18.9329 -18.5663 -18.5663 -17.3004 -17.3004 -16.6808 -16.6808 -16.6370 -16.6370 -16.6237 -16.6237 -16.6187 -16.6187 -16.6067 -16.6067 -9.2472 -9.2472 -8.2855 -8.2855 -5.5812 -5.5812 -5.2310 -5.2310 -5.1846 -5.1846 -5.1734 -5.1734 -4.9331 -4.9331 -4.9221 -4.9221 -2.2765 -2.2765 -1.9080 -1.9080 -1.9075 -1.9075 -1.6349 -1.6349 -1.6283 -1.6283 -1.2895 -1.2895 -1.2080 -1.2080 -1.1895 -1.1895 -1.1827 -1.1827 -1.1625 -1.1625 0.1101 0.1101 0.1199 0.1199 0.9985 0.9985 1.0118 1.0118 1.1305 1.1305 1.1371 1.1371 6.9461 6.9461 8.6439 8.6439 10.0006 10.0006 10.3907 10.3907 10.7954 10.7954 10.9440 10.9440 k = 0.0000 0.0000 0.1377 ( 6616 PWs) bands (ev): -18.9245 -18.9245 -18.5817 -18.5817 -17.2778 -17.2778 -16.6971 -16.6971 -16.6365 -16.6365 -16.6232 -16.6232 -16.6195 -16.6195 -16.6072 -16.6072 -9.2216 -9.2216 -8.3194 -8.3194 -5.5663 -5.5663 -5.2383 -5.2383 -5.1779 -5.1779 -5.1663 -5.1663 -4.9411 -4.9411 -4.9300 -4.9300 -2.2471 -2.2471 -1.9019 -1.9019 -1.9013 -1.9013 -1.6464 -1.6464 -1.6401 -1.6401 -1.3190 -1.3190 -1.2083 -1.2083 -1.1889 -1.1889 -1.1842 -1.1842 -1.1638 -1.1638 0.1401 0.1401 0.1500 0.1500 0.9735 0.9735 0.9866 0.9866 1.1307 1.1307 1.1368 1.1368 6.9818 6.9818 8.5468 8.5468 10.0221 10.0221 10.5030 10.5030 10.7699 10.7699 10.9738 10.9738 k = 0.0000 0.0000 0.1530 ( 6604 PWs) bands (ev): -18.9152 -18.9152 -18.5981 -18.5981 -17.2536 -17.2536 -16.7151 -16.7151 -16.6359 -16.6359 -16.6226 -16.6226 -16.6203 -16.6203 -16.6078 -16.6078 -9.1933 -9.1933 -8.3560 -8.3560 -5.5504 -5.5504 -5.2467 -5.2467 -5.1703 -5.1703 -5.1584 -5.1584 -4.9499 -4.9499 -4.9387 -4.9387 -2.2148 -2.2148 -1.8951 -1.8951 -1.8944 -1.8944 -1.6585 -1.6585 -1.6526 -1.6526 -1.3517 -1.3517 -1.2081 -1.2081 -1.1882 -1.1882 -1.1856 -1.1856 -1.1652 -1.1652 0.1725 0.1725 0.1826 0.1826 0.9461 0.9461 0.9590 0.9590 1.1309 1.1309 1.1366 1.1366 7.0212 7.0212 8.4512 8.4512 10.0458 10.0458 10.6119 10.6119 10.7456 10.7456 11.0062 11.0062 k = 0.0000 0.0000 0.1683 ( 6604 PWs) bands (ev): -18.9050 -18.9050 -18.6153 -18.6153 -17.2279 -17.2279 -16.7348 -16.7348 -16.6353 -16.6353 -16.6220 -16.6220 -16.6210 -16.6210 -16.6084 -16.6084 -9.1625 -9.1625 -8.3950 -8.3950 -5.5337 -5.5337 -5.2561 -5.2561 -5.1619 -5.1619 -5.1498 -5.1498 -4.9593 -4.9593 -4.9481 -4.9481 -2.1799 -2.1799 -1.8876 -1.8876 -1.8868 -1.8868 -1.6713 -1.6713 -1.6658 -1.6658 -1.3872 -1.3872 -1.2077 -1.2077 -1.1875 -1.1875 -1.1871 -1.1871 -1.1667 -1.1667 0.2071 0.2071 0.2175 0.2175 0.9163 0.9163 0.9291 0.9291 1.1311 1.1311 1.1363 1.1363 7.0644 7.0644 8.3573 8.3573 10.0715 10.0715 10.6820 10.6820 10.7580 10.7580 11.0410 11.0410 k = 0.0000 0.0000 0.1836 ( 6598 PWs) bands (ev): -18.8940 -18.8940 -18.6330 -18.6330 -17.2010 -17.2010 -16.7560 -16.7560 -16.6347 -16.6347 -16.6218 -16.6218 -16.6214 -16.6214 -16.6090 -16.6090 -9.1294 -9.1294 -8.4361 -8.4361 -5.5165 -5.5165 -5.2664 -5.2664 -5.1528 -5.1528 -5.1406 -5.1406 -4.9694 -4.9694 -4.9580 -4.9580 -2.1426 -2.1426 -1.8795 -1.8795 -1.8785 -1.8785 -1.6846 -1.6846 -1.6793 -1.6793 -1.4251 -1.4251 -1.2072 -1.2072 -1.1886 -1.1886 -1.1868 -1.1868 -1.1681 -1.1681 0.2437 0.2437 0.2542 0.2542 0.8843 0.8843 0.8971 0.8971 1.1313 1.1313 1.1361 1.1361 7.1113 7.1113 8.2652 8.2652 10.0992 10.0992 10.6647 10.6647 10.8558 10.8558 11.0780 11.0780 k = 0.0000 0.0000 0.1989 ( 6610 PWs) bands (ev): -18.8820 -18.8820 -18.6511 -18.6511 -17.1732 -17.1732 -16.7786 -16.7786 -16.6340 -16.6340 -16.6226 -16.6226 -16.6207 -16.6207 -16.6097 -16.6097 -9.0941 -9.0941 -8.4789 -8.4789 -5.4989 -5.4989 -5.2776 -5.2776 -5.1430 -5.1430 -5.1308 -5.1308 -4.9800 -4.9800 -4.9686 -4.9686 -2.1030 -2.1030 -1.8707 -1.8707 -1.8696 -1.8696 -1.6982 -1.6982 -1.6933 -1.6933 -1.4654 -1.4654 -1.2065 -1.2065 -1.1901 -1.1901 -1.1860 -1.1860 -1.1695 -1.1695 0.2819 0.2819 0.2925 0.2925 0.8504 0.8504 0.8630 0.8630 1.1316 1.1316 1.1358 1.1358 7.1616 7.1616 8.1749 8.1749 10.1287 10.1287 10.6329 10.6329 10.9662 10.9662 11.1168 11.1168 k = 0.0000 0.0000 0.2142 ( 6610 PWs) bands (ev): -18.8693 -18.8693 -18.6694 -18.6694 -17.1446 -17.1446 -16.8025 -16.8025 -16.6332 -16.6332 -16.6234 -16.6234 -16.6200 -16.6200 -16.6104 -16.6104 -9.0567 -9.0567 -8.5230 -8.5230 -5.4811 -5.4811 -5.2895 -5.2895 -5.1328 -5.1328 -5.1205 -5.1205 -4.9910 -4.9910 -4.9795 -4.9795 -2.0615 -2.0615 -1.8613 -1.8613 -1.8600 -1.8600 -1.7119 -1.7119 -1.7074 -1.7074 -1.5075 -1.5075 -1.2057 -1.2057 -1.1916 -1.1916 -1.1851 -1.1851 -1.1710 -1.1710 0.3215 0.3215 0.3323 0.3323 0.8147 0.8147 0.8272 0.8272 1.1319 1.1319 1.1355 1.1355 7.2154 7.2154 8.0866 8.0866 10.1598 10.1598 10.5981 10.5981 11.0777 11.0777 11.1571 11.1571 k = 0.0000 0.0000 0.2295 ( 6610 PWs) bands (ev): -18.8557 -18.8557 -18.6879 -18.6879 -17.1153 -17.1153 -16.8276 -16.8276 -16.6325 -16.6325 -16.6242 -16.6242 -16.6192 -16.6192 -16.6112 -16.6112 -9.0175 -9.0175 -8.5682 -8.5682 -5.4632 -5.4632 -5.3023 -5.3023 -5.1220 -5.1220 -5.1097 -5.1097 -5.0025 -5.0025 -4.9909 -4.9909 -2.0182 -2.0182 -1.8514 -1.8514 -1.8498 -1.8498 -1.7258 -1.7258 -1.7216 -1.7216 -1.5514 -1.5514 -1.2049 -1.2049 -1.1930 -1.1930 -1.1842 -1.1842 -1.1723 -1.1723 0.3622 0.3622 0.3732 0.3732 0.7773 0.7773 0.7897 0.7897 1.1321 1.1321 1.1352 1.1352 7.2725 7.2725 8.0004 8.0004 10.1925 10.1925 10.5618 10.5618 11.1888 11.1888 11.1986 11.1986 k = 0.0000 0.0000 0.2448 ( 6634 PWs) bands (ev): -18.8415 -18.8415 -18.7063 -18.7063 -17.0857 -17.0857 -16.8538 -16.8538 -16.6317 -16.6317 -16.6250 -16.6250 -16.6185 -16.6185 -16.6120 -16.6120 -8.9765 -8.9765 -8.6142 -8.6142 -5.4454 -5.4454 -5.3159 -5.3159 -5.1108 -5.1108 -5.0986 -5.0986 -5.0143 -5.0143 -5.0026 -5.0026 -1.9736 -1.9736 -1.8408 -1.8408 -1.8390 -1.8390 -1.7396 -1.7396 -1.7358 -1.7358 -1.5966 -1.5966 -1.2040 -1.2040 -1.1944 -1.1944 -1.1832 -1.1832 -1.1737 -1.1737 0.4037 0.4037 0.4149 0.4149 0.7386 0.7386 0.7509 0.7509 1.1324 1.1324 1.1349 1.1349 7.3327 7.3327 7.9163 7.9163 10.2265 10.2265 10.5246 10.5246 11.2409 11.2409 11.2611 11.2611 k = 0.0000 0.0000 0.2601 ( 6658 PWs) bands (ev): -18.8265 -18.8265 -18.7246 -18.7246 -17.0559 -17.0559 -16.8809 -16.8809 -16.6309 -16.6309 -16.6258 -16.6258 -16.6177 -16.6177 -16.6128 -16.6128 -8.9341 -8.9341 -8.6607 -8.6607 -5.4277 -5.4277 -5.3301 -5.3301 -5.0992 -5.0992 -5.0870 -5.0870 -5.0263 -5.0263 -5.0146 -5.0146 -1.9277 -1.9277 -1.8297 -1.8297 -1.8276 -1.8276 -1.7534 -1.7534 -1.7498 -1.7498 -1.6429 -1.6429 -1.2030 -1.2030 -1.1958 -1.1958 -1.1822 -1.1822 -1.1750 -1.1750 0.4459 0.4459 0.4572 0.4572 0.6986 0.6986 0.7108 0.7108 1.1327 1.1327 1.1346 1.1346 7.3961 7.3961 7.8345 7.8345 10.2616 10.2616 10.4868 10.4868 11.2835 11.2835 11.3036 11.3036 k = 0.0000 0.0000 0.2754 ( 6646 PWs) bands (ev): -18.8108 -18.8108 -18.7426 -18.7426 -17.0260 -17.0260 -16.9089 -16.9089 -16.6301 -16.6301 -16.6267 -16.6267 -16.6169 -16.6169 -16.6136 -16.6136 -8.8904 -8.8904 -8.7073 -8.7073 -5.4103 -5.4103 -5.3450 -5.3450 -5.0874 -5.0874 -5.0752 -5.0752 -5.0385 -5.0385 -5.0267 -5.0267 -1.8809 -1.8809 -1.8180 -1.8180 -1.8157 -1.8157 -1.7669 -1.7669 -1.7637 -1.7637 -1.6900 -1.6900 -1.2019 -1.2019 -1.1971 -1.1971 -1.1811 -1.1811 -1.1763 -1.1763 0.4885 0.4885 0.5000 0.5000 0.6577 0.6577 0.6697 0.6697 1.1330 1.1330 1.1343 1.1343 7.4623 7.4623 7.7550 7.7550 10.2978 10.2978 10.4486 10.4486 11.3263 11.3263 11.3461 11.3461 k = 0.0000 0.0000 0.2907 ( 6634 PWs) bands (ev): -18.7945 -18.7945 -18.7604 -18.7604 -16.9962 -16.9962 -16.9375 -16.9375 -16.6292 -16.6292 -16.6275 -16.6275 -16.6160 -16.6160 -16.6144 -16.6144 -8.8457 -8.8457 -8.7539 -8.7539 -5.3933 -5.3933 -5.3605 -5.3605 -5.0753 -5.0753 -5.0632 -5.0632 -5.0508 -5.0508 -5.0389 -5.0389 -1.8335 -1.8335 -1.8060 -1.8060 -1.8033 -1.8033 -1.7801 -1.7801 -1.7773 -1.7773 -1.7375 -1.7375 -1.2008 -1.2008 -1.1984 -1.1984 -1.1800 -1.1800 -1.1776 -1.1776 0.5312 0.5312 0.5428 0.5428 0.6160 0.6160 0.6279 0.6279 1.1333 1.1333 1.1340 1.1340 7.5315 7.5315 7.6779 7.6779 10.3348 10.3348 10.4104 10.4104 11.3686 11.3686 11.3882 11.3882 k = 0.0000 0.0000 0.3060 ( 6646 PWs) bands (ev): -18.7777 -18.7777 -18.7777 -18.7777 -16.9666 -16.9666 -16.9666 -16.9666 -16.6284 -16.6284 -16.6284 -16.6284 -16.6152 -16.6152 -16.6152 -16.6152 -8.8001 -8.8001 -8.8001 -8.8001 -5.3767 -5.3767 -5.3767 -5.3767 -5.0631 -5.0631 -5.0631 -5.0631 -5.0511 -5.0511 -5.0511 -5.0511 -1.7945 -1.7945 -1.7945 -1.7945 -1.7905 -1.7905 -1.7905 -1.7905 -1.7843 -1.7843 -1.7843 -1.7843 -1.1996 -1.1996 -1.1996 -1.1996 -1.1788 -1.1788 -1.1788 -1.1788 0.5737 0.5737 0.5737 0.5737 0.5855 0.5855 0.5855 0.5855 1.1337 1.1337 1.1337 1.1337 7.6034 7.6034 7.6034 7.6034 10.3724 10.3724 10.3724 10.3724 11.4102 11.4102 11.4102 11.4103 k = 0.0000 0.0000 0.3060 ( 6646 PWs) bands (ev): -18.7777 -18.7777 -18.7777 -18.7777 -16.9666 -16.9666 -16.9666 -16.9666 -16.6284 -16.6284 -16.6284 -16.6284 -16.6152 -16.6152 -16.6152 -16.6152 -8.8001 -8.8001 -8.8001 -8.8001 -5.3767 -5.3767 -5.3767 -5.3767 -5.0631 -5.0631 -5.0631 -5.0631 -5.0511 -5.0511 -5.0511 -5.0511 -1.7945 -1.7945 -1.7945 -1.7945 -1.7905 -1.7905 -1.7905 -1.7905 -1.7843 -1.7843 -1.7843 -1.7843 -1.1996 -1.1996 -1.1996 -1.1996 -1.1788 -1.1788 -1.1788 -1.1788 0.5737 0.5737 0.5737 0.5737 0.5855 0.5855 0.5855 0.5855 1.1337 1.1337 1.1337 1.1337 7.6034 7.6034 7.6034 7.6034 10.3724 10.3724 10.3724 10.3724 11.4102 11.4102 11.4102 11.4104 k = 0.0135 0.0078 0.3060 ( 6658 PWs) bands (ev): -18.7772 -18.7772 -18.7772 -18.7772 -16.9675 -16.9675 -16.9675 -16.9675 -16.6284 -16.6284 -16.6284 -16.6284 -16.6153 -16.6153 -16.6153 -16.6153 -8.7986 -8.7986 -8.7986 -8.7986 -5.3783 -5.3783 -5.3783 -5.3783 -5.0622 -5.0622 -5.0622 -5.0622 -5.0502 -5.0502 -5.0502 -5.0502 -1.7960 -1.7960 -1.7960 -1.7960 -1.7911 -1.7911 -1.7911 -1.7911 -1.7829 -1.7829 -1.7829 -1.7829 -1.1997 -1.1997 -1.1997 -1.1997 -1.1789 -1.1789 -1.1789 -1.1789 0.5731 0.5731 0.5731 0.5731 0.5849 0.5849 0.5849 0.5849 1.1321 1.1321 1.1321 1.1321 7.6054 7.6054 7.6054 7.6054 10.3741 10.3741 10.3741 10.3741 11.4098 11.4098 11.4098 11.4098 k = 0.0270 0.0156 0.3060 ( 6672 PWs) bands (ev): -18.7756 -18.7756 -18.7756 -18.7756 -16.9700 -16.9700 -16.9700 -16.9700 -16.6286 -16.6286 -16.6286 -16.6286 -16.6155 -16.6155 -16.6155 -16.6155 -8.7941 -8.7941 -8.7941 -8.7941 -5.3831 -5.3831 -5.3831 -5.3831 -5.0596 -5.0596 -5.0596 -5.0596 -5.0474 -5.0474 -5.0474 -5.0474 -1.8004 -1.8004 -1.8004 -1.8004 -1.7913 -1.7913 -1.7913 -1.7913 -1.7807 -1.7807 -1.7807 -1.7807 -1.1999 -1.1999 -1.1999 -1.1999 -1.1791 -1.1791 -1.1791 -1.1791 0.5710 0.5710 0.5710 0.5710 0.5832 0.5832 0.5832 0.5832 1.1275 1.1275 1.1275 1.1275 7.6113 7.6113 7.6113 7.6113 10.3789 10.3789 10.3789 10.3789 11.4062 11.4062 11.4062 11.4062 k = 0.0405 0.0234 0.3060 ( 6664 PWs) bands (ev): -18.7730 -18.7730 -18.7730 -18.7730 -16.9741 -16.9741 -16.9741 -16.9741 -16.6288 -16.6288 -16.6288 -16.6288 -16.6158 -16.6158 -16.6158 -16.6158 -8.7867 -8.7867 -8.7867 -8.7867 -5.3909 -5.3909 -5.3909 -5.3909 -5.0558 -5.0558 -5.0558 -5.0558 -5.0425 -5.0425 -5.0425 -5.0425 -1.8066 -1.8066 -1.8066 -1.8066 -1.7908 -1.7908 -1.7908 -1.7908 -1.7788 -1.7788 -1.7788 -1.7788 -1.2003 -1.2003 -1.2003 -1.2003 -1.1794 -1.1794 -1.1794 -1.1794 0.5670 0.5670 0.5670 0.5670 0.5808 0.5808 0.5808 0.5808 1.1200 1.1200 1.1200 1.1200 7.6213 7.6213 7.6213 7.6213 10.3870 10.3870 10.3870 10.3870 11.3972 11.3972 11.3972 11.3972 k = 0.0541 0.0312 0.3060 ( 6674 PWs) bands (ev): -18.7694 -18.7694 -18.7694 -18.7694 -16.9799 -16.9799 -16.9799 -16.9799 -16.6291 -16.6291 -16.6291 -16.6291 -16.6162 -16.6162 -16.6162 -16.6162 -8.7764 -8.7764 -8.7764 -8.7764 -5.4014 -5.4014 -5.4014 -5.4014 -5.0511 -5.0511 -5.0511 -5.0511 -5.0355 -5.0355 -5.0355 -5.0355 -1.8141 -1.8141 -1.8141 -1.8141 -1.7899 -1.7899 -1.7899 -1.7899 -1.7775 -1.7775 -1.7775 -1.7775 -1.2012 -1.2012 -1.2012 -1.2012 -1.1796 -1.1796 -1.1796 -1.1796 0.5609 0.5609 0.5609 0.5609 0.5782 0.5782 0.5782 0.5782 1.1095 1.1095 1.1095 1.1095 7.6351 7.6351 7.6351 7.6351 10.3981 10.3981 10.3981 10.3981 11.3842 11.3842 11.3842 11.3842 k = 0.0676 0.0390 0.3060 ( 6658 PWs) bands (ev): -18.7648 -18.7648 -18.7648 -18.7648 -16.9873 -16.9873 -16.9873 -16.9873 -16.6295 -16.6295 -16.6295 -16.6295 -16.6167 -16.6167 -16.6167 -16.6167 -8.7632 -8.7632 -8.7632 -8.7632 -5.4142 -5.4142 -5.4142 -5.4142 -5.0456 -5.0456 -5.0456 -5.0456 -5.0266 -5.0266 -5.0266 -5.0266 -1.8226 -1.8226 -1.8226 -1.8226 -1.7888 -1.7888 -1.7888 -1.7888 -1.7768 -1.7768 -1.7768 -1.7768 -1.2025 -1.2025 -1.2025 -1.2025 -1.1796 -1.1796 -1.1796 -1.1796 0.5526 0.5526 0.5526 0.5526 0.5752 0.5752 0.5752 0.5752 1.0963 1.0963 1.0963 1.0963 7.6529 7.6529 7.6529 7.6529 10.4122 10.4122 10.4122 10.4122 11.3685 11.3685 11.3685 11.3685 k = 0.0811 0.0468 0.3060 ( 6650 PWs) bands (ev): -18.7592 -18.7592 -18.7592 -18.7592 -16.9964 -16.9964 -16.9964 -16.9964 -16.6300 -16.6300 -16.6300 -16.6300 -16.6173 -16.6173 -16.6173 -16.6173 -8.7472 -8.7472 -8.7472 -8.7472 -5.4292 -5.4292 -5.4292 -5.4292 -5.0393 -5.0393 -5.0393 -5.0393 -5.0162 -5.0162 -5.0162 -5.0162 -1.8323 -1.8323 -1.8323 -1.8323 -1.7874 -1.7874 -1.7874 -1.7874 -1.7767 -1.7767 -1.7767 -1.7767 -1.2044 -1.2044 -1.2044 -1.2044 -1.1793 -1.1793 -1.1793 -1.1793 0.5423 0.5423 0.5423 0.5423 0.5719 0.5719 0.5719 0.5719 1.0805 1.0805 1.0805 1.0805 7.6745 7.6745 7.6745 7.6745 10.4291 10.4291 10.4291 10.4291 11.3510 11.3510 11.3510 11.3510 k = 0.0946 0.0546 0.3060 ( 6646 PWs) bands (ev): -18.7525 -18.7525 -18.7525 -18.7525 -17.0070 -17.0070 -17.0070 -17.0070 -16.6305 -16.6305 -16.6305 -16.6305 -16.6179 -16.6179 -16.6179 -16.6179 -8.7285 -8.7285 -8.7285 -8.7285 -5.4459 -5.4459 -5.4459 -5.4459 -5.0322 -5.0322 -5.0322 -5.0322 -5.0046 -5.0046 -5.0046 -5.0046 -1.8430 -1.8430 -1.8430 -1.8430 -1.7858 -1.7858 -1.7858 -1.7858 -1.7771 -1.7771 -1.7771 -1.7771 -1.2072 -1.2072 -1.2072 -1.2072 -1.1785 -1.1785 -1.1785 -1.1785 0.5303 0.5303 0.5303 0.5303 0.5679 0.5679 0.5679 0.5679 1.0623 1.0623 1.0623 1.0623 7.6998 7.6998 7.6998 7.6998 10.4484 10.4484 10.4484 10.4484 11.3321 11.3321 11.3321 11.3321 k = 0.1081 0.0624 0.3060 ( 6634 PWs) bands (ev): -18.7449 -18.7449 -18.7449 -18.7449 -17.0192 -17.0192 -17.0192 -17.0192 -16.6311 -16.6311 -16.6311 -16.6311 -16.6186 -16.6186 -16.6186 -16.6186 -8.7071 -8.7071 -8.7071 -8.7071 -5.4642 -5.4642 -5.4642 -5.4642 -5.0243 -5.0243 -5.0243 -5.0243 -4.9920 -4.9920 -4.9920 -4.9920 -1.8547 -1.8547 -1.8547 -1.8547 -1.7840 -1.7840 -1.7840 -1.7840 -1.7780 -1.7780 -1.7780 -1.7780 -1.2107 -1.2107 -1.2107 -1.2107 -1.1772 -1.1772 -1.1772 -1.1772 0.5168 0.5168 0.5168 0.5168 0.5632 0.5632 0.5632 0.5632 1.0420 1.0420 1.0420 1.0420 7.7287 7.7287 7.7287 7.7287 10.4700 10.4700 10.4700 10.4700 11.3121 11.3121 11.3121 11.3121 k = 0.1216 0.0702 0.3060 ( 6632 PWs) bands (ev): -18.7363 -18.7363 -18.7363 -18.7363 -17.0329 -17.0329 -17.0329 -17.0329 -16.6318 -16.6318 -16.6318 -16.6318 -16.6193 -16.6193 -16.6193 -16.6193 -8.6832 -8.6832 -8.6832 -8.6832 -5.4839 -5.4839 -5.4839 -5.4839 -5.0155 -5.0155 -5.0155 -5.0155 -4.9788 -4.9788 -4.9788 -4.9788 -1.8675 -1.8675 -1.8675 -1.8675 -1.7824 -1.7824 -1.7824 -1.7824 -1.7788 -1.7788 -1.7788 -1.7788 -1.2151 -1.2151 -1.2151 -1.2151 -1.1755 -1.1755 -1.1755 -1.1755 0.5020 0.5020 0.5020 0.5020 0.5575 0.5575 0.5575 0.5575 1.0198 1.0198 1.0198 1.0198 7.7613 7.7613 7.7613 7.7613 10.4935 10.4935 10.4935 10.4935 11.2912 11.2912 11.2912 11.2912 k = 0.1351 0.0780 0.3060 ( 6624 PWs) bands (ev): -18.7268 -18.7268 -18.7268 -18.7268 -17.0480 -17.0480 -17.0480 -17.0480 -16.6324 -16.6324 -16.6324 -16.6324 -16.6201 -16.6201 -16.6201 -16.6201 -8.6568 -8.6568 -8.6568 -8.6568 -5.5047 -5.5047 -5.5047 -5.5047 -5.0059 -5.0059 -5.0059 -5.0059 -4.9651 -4.9651 -4.9651 -4.9651 -1.8812 -1.8812 -1.8812 -1.8812 -1.7827 -1.7827 -1.7827 -1.7827 -1.7779 -1.7779 -1.7779 -1.7779 -1.2202 -1.2202 -1.2202 -1.2202 -1.1733 -1.1733 -1.1733 -1.1733 0.4860 0.4860 0.4860 0.4860 0.5506 0.5506 0.5506 0.5506 0.9963 0.9963 0.9963 0.9963 7.7973 7.7973 7.7973 7.7973 10.5186 10.5186 10.5186 10.5186 11.2694 11.2694 11.2694 11.2694 k = 0.1486 0.0858 0.3060 ( 6620 PWs) bands (ev): -18.7163 -18.7163 -18.7163 -18.7163 -17.0646 -17.0646 -17.0646 -17.0646 -16.6331 -16.6331 -16.6331 -16.6331 -16.6209 -16.6209 -16.6209 -16.6209 -8.6281 -8.6281 -8.6281 -8.6281 -5.5267 -5.5267 -5.5267 -5.5267 -4.9956 -4.9956 -4.9956 -4.9956 -4.9511 -4.9511 -4.9511 -4.9511 -1.8959 -1.8959 -1.8959 -1.8959 -1.7846 -1.7846 -1.7846 -1.7846 -1.7754 -1.7754 -1.7754 -1.7754 -1.2261 -1.2261 -1.2261 -1.2261 -1.1707 -1.1707 -1.1707 -1.1707 0.4692 0.4692 0.4692 0.4692 0.5422 0.5422 0.5422 0.5422 0.9717 0.9717 0.9717 0.9717 7.8367 7.8367 7.8367 7.8367 10.5448 10.5448 10.5448 10.5448 11.2468 11.2468 11.2468 11.2468 k = 0.1622 0.0936 0.3060 ( 6612 PWs) bands (ev): -18.7050 -18.7050 -18.7050 -18.7050 -17.0825 -17.0825 -17.0825 -17.0825 -16.6338 -16.6338 -16.6338 -16.6338 -16.6216 -16.6216 -16.6216 -16.6216 -8.5972 -8.5972 -8.5972 -8.5972 -5.5496 -5.5496 -5.5496 -5.5496 -4.9845 -4.9845 -4.9845 -4.9845 -4.9369 -4.9369 -4.9369 -4.9369 -1.9114 -1.9114 -1.9114 -1.9114 -1.7872 -1.7872 -1.7872 -1.7872 -1.7724 -1.7724 -1.7724 -1.7724 -1.2327 -1.2327 -1.2327 -1.2327 -1.1677 -1.1677 -1.1677 -1.1677 0.4517 0.4517 0.4517 0.4517 0.5322 0.5322 0.5322 0.5322 0.9465 0.9465 0.9465 0.9465 7.8793 7.8793 7.8793 7.8793 10.5716 10.5716 10.5716 10.5716 11.2235 11.2235 11.2235 11.2235 k = 0.1757 0.1014 0.3060 ( 6616 PWs) bands (ev): -18.6928 -18.6928 -18.6928 -18.6928 -17.1017 -17.1017 -17.1017 -17.1017 -16.6345 -16.6345 -16.6345 -16.6345 -16.6224 -16.6224 -16.6224 -16.6224 -8.5643 -8.5643 -8.5643 -8.5643 -5.5733 -5.5733 -5.5733 -5.5733 -4.9729 -4.9729 -4.9729 -4.9729 -4.9226 -4.9226 -4.9226 -4.9226 -1.9278 -1.9278 -1.9278 -1.9278 -1.7902 -1.7902 -1.7902 -1.7902 -1.7690 -1.7690 -1.7690 -1.7690 -1.2399 -1.2399 -1.2399 -1.2399 -1.1643 -1.1643 -1.1643 -1.1643 0.4337 0.4337 0.4337 0.4337 0.5200 0.5200 0.5200 0.5200 0.9214 0.9214 0.9214 0.9214 7.9251 7.9251 7.9251 7.9251 10.5984 10.5984 10.5984 10.5984 11.1996 11.1996 11.1996 11.1996 k = 0.1892 0.1092 0.3060 ( 6616 PWs) bands (ev): -18.6798 -18.6798 -18.6798 -18.6798 -17.1220 -17.1220 -17.1220 -17.1220 -16.6352 -16.6352 -16.6352 -16.6352 -16.6232 -16.6232 -16.6232 -16.6232 -8.5295 -8.5295 -8.5295 -8.5295 -5.5979 -5.5979 -5.5979 -5.5979 -4.9607 -4.9607 -4.9607 -4.9607 -4.9083 -4.9083 -4.9083 -4.9083 -1.9449 -1.9449 -1.9449 -1.9449 -1.7935 -1.7935 -1.7935 -1.7935 -1.7654 -1.7654 -1.7654 -1.7654 -1.2477 -1.2477 -1.2477 -1.2477 -1.1605 -1.1605 -1.1605 -1.1605 0.4155 0.4155 0.4155 0.4155 0.5055 0.5055 0.5055 0.5055 0.8968 0.8968 0.8968 0.8968 7.9739 7.9739 7.9739 7.9739 10.6245 10.6245 10.6245 10.6245 11.1751 11.1751 11.1751 11.1751 k = 0.2027 0.1170 0.3060 ( 6620 PWs) bands (ev): -18.6659 -18.6659 -18.6659 -18.6659 -17.1435 -17.1435 -17.1435 -17.1435 -16.6358 -16.6358 -16.6358 -16.6358 -16.6240 -16.6240 -16.6240 -16.6240 -8.4930 -8.4930 -8.4930 -8.4930 -5.6232 -5.6232 -5.6232 -5.6232 -4.9479 -4.9479 -4.9479 -4.9479 -4.8940 -4.8940 -4.8940 -4.8940 -1.9627 -1.9627 -1.9627 -1.9627 -1.7971 -1.7971 -1.7971 -1.7971 -1.7614 -1.7614 -1.7614 -1.7614 -1.2561 -1.2561 -1.2561 -1.2561 -1.1564 -1.1564 -1.1564 -1.1563 0.3971 0.3971 0.3971 0.3971 0.4883 0.4883 0.4883 0.4883 0.8732 0.8732 0.8732 0.8732 8.0255 8.0255 8.0255 8.0255 10.6492 10.6492 10.6492 10.6492 11.1504 11.1504 11.1504 11.1504 k = 0.2162 0.1248 0.3060 ( 6618 PWs) bands (ev): -18.6513 -18.6513 -18.6513 -18.6513 -17.1659 -17.1659 -17.1659 -17.1659 -16.6365 -16.6365 -16.6365 -16.6365 -16.6248 -16.6248 -16.6248 -16.6248 -8.4549 -8.4549 -8.4549 -8.4549 -5.6491 -5.6491 -5.6491 -5.6491 -4.9348 -4.9348 -4.9348 -4.9348 -4.8798 -4.8798 -4.8798 -4.8798 -1.9812 -1.9812 -1.9812 -1.9812 -1.8008 -1.8008 -1.8008 -1.8008 -1.7571 -1.7571 -1.7571 -1.7571 -1.2649 -1.2649 -1.2649 -1.2649 -1.1518 -1.1518 -1.1518 -1.1518 0.3789 0.3789 0.3789 0.3789 0.4681 0.4681 0.4681 0.4681 0.8512 0.8512 0.8512 0.8512 8.0799 8.0799 8.0799 8.0799 10.6714 10.6714 10.6714 10.6714 11.1259 11.1259 11.1259 11.1259 k = 0.2297 0.1326 0.3060 ( 6628 PWs) bands (ev): -18.6361 -18.6361 -18.6361 -18.6361 -17.1891 -17.1891 -17.1891 -17.1891 -16.6371 -16.6371 -16.6371 -16.6371 -16.6256 -16.6256 -16.6256 -16.6256 -8.4155 -8.4155 -8.4155 -8.4155 -5.6756 -5.6756 -5.6756 -5.6756 -4.9214 -4.9214 -4.9214 -4.9214 -4.8657 -4.8657 -4.8657 -4.8657 -2.0001 -2.0001 -2.0001 -2.0001 -1.8048 -1.8048 -1.8048 -1.8048 -1.7526 -1.7526 -1.7526 -1.7526 -1.2742 -1.2742 -1.2742 -1.2742 -1.1469 -1.1469 -1.1469 -1.1469 0.3609 0.3609 0.3609 0.3609 0.4448 0.4448 0.4448 0.4448 0.8311 0.8311 0.8311 0.8311 8.1368 8.1368 8.1368 8.1368 10.6899 10.6899 10.6899 10.6899 11.1024 11.1024 11.1024 11.1024 k = 0.2432 0.1404 0.3060 ( 6640 PWs) bands (ev): -18.6201 -18.6201 -18.6201 -18.6201 -17.2131 -17.2131 -17.2131 -17.2131 -16.6377 -16.6377 -16.6377 -16.6377 -16.6264 -16.6264 -16.6264 -16.6264 -8.3750 -8.3750 -8.3750 -8.3750 -5.7026 -5.7026 -5.7026 -5.7026 -4.9078 -4.9078 -4.9078 -4.9078 -4.8520 -4.8520 -4.8520 -4.8520 -2.0194 -2.0194 -2.0194 -2.0194 -1.8090 -1.8090 -1.8090 -1.8090 -1.7479 -1.7479 -1.7479 -1.7479 -1.2838 -1.2838 -1.2838 -1.2838 -1.1415 -1.1415 -1.1415 -1.1415 0.3432 0.3432 0.3432 0.3432 0.4184 0.4184 0.4184 0.4184 0.8132 0.8132 0.8132 0.8132 8.1962 8.1962 8.1962 8.1962 10.7031 10.7031 10.7031 10.7031 11.0806 11.0806 11.0806 11.0806 k = 0.2568 0.1482 0.3060 ( 6636 PWs) bands (ev): -18.6036 -18.6036 -18.6036 -18.6036 -17.2378 -17.2378 -17.2378 -17.2378 -16.6382 -16.6382 -16.6382 -16.6382 -16.6271 -16.6271 -16.6271 -16.6271 -8.3336 -8.3336 -8.3336 -8.3336 -5.7300 -5.7300 -5.7300 -5.7300 -4.8940 -4.8940 -4.8940 -4.8940 -4.8384 -4.8384 -4.8384 -4.8384 -2.0389 -2.0389 -2.0389 -2.0389 -1.8132 -1.8132 -1.8132 -1.8132 -1.7429 -1.7429 -1.7429 -1.7429 -1.2937 -1.2937 -1.2937 -1.2937 -1.1358 -1.1358 -1.1358 -1.1358 0.3261 0.3261 0.3261 0.3261 0.3892 0.3892 0.3892 0.3892 0.7976 0.7976 0.7976 0.7976 8.2579 8.2579 8.2579 8.2579 10.7095 10.7095 10.7095 10.7095 11.0620 11.0620 11.0620 11.0620 k = 0.2703 0.1560 0.3060 ( 6628 PWs) bands (ev): -18.5866 -18.5866 -18.5866 -18.5866 -17.2629 -17.2629 -17.2629 -17.2629 -16.6387 -16.6387 -16.6387 -16.6387 -16.6278 -16.6278 -16.6278 -16.6278 -8.2916 -8.2916 -8.2916 -8.2916 -5.7577 -5.7577 -5.7577 -5.7577 -4.8802 -4.8802 -4.8802 -4.8802 -4.8252 -4.8252 -4.8252 -4.8252 -2.0587 -2.0587 -2.0587 -2.0587 -1.8175 -1.8175 -1.8175 -1.8175 -1.7378 -1.7378 -1.7378 -1.7378 -1.3037 -1.3037 -1.3037 -1.3037 -1.1297 -1.1297 -1.1297 -1.1297 0.3096 0.3096 0.3096 0.3096 0.3575 0.3575 0.3575 0.3575 0.7841 0.7841 0.7841 0.7841 8.3218 8.3218 8.3218 8.3218 10.7073 10.7073 10.7073 10.7073 11.0476 11.0476 11.0476 11.0476 k = 0.2838 0.1638 0.3060 ( 6616 PWs) bands (ev): -18.5691 -18.5691 -18.5691 -18.5691 -17.2884 -17.2884 -17.2884 -17.2884 -16.6392 -16.6392 -16.6392 -16.6392 -16.6285 -16.6285 -16.6285 -16.6285 -8.2491 -8.2491 -8.2491 -8.2491 -5.7856 -5.7856 -5.7856 -5.7856 -4.8664 -4.8664 -4.8664 -4.8664 -4.8124 -4.8124 -4.8124 -4.8124 -2.0785 -2.0785 -2.0785 -2.0785 -1.8219 -1.8219 -1.8219 -1.8219 -1.7325 -1.7325 -1.7325 -1.7325 -1.3138 -1.3138 -1.3138 -1.3138 -1.1232 -1.1232 -1.1232 -1.1232 0.2936 0.2936 0.2936 0.2936 0.3238 0.3238 0.3238 0.3238 0.7727 0.7727 0.7727 0.7727 8.3875 8.3875 8.3875 8.3875 10.6956 10.6956 10.6956 10.6956 11.0382 11.0382 11.0382 11.0382 k = 0.2973 0.1716 0.3060 ( 6626 PWs) bands (ev): -18.5513 -18.5513 -18.5513 -18.5513 -17.3140 -17.3140 -17.3140 -17.3140 -16.6397 -16.6397 -16.6397 -16.6397 -16.6292 -16.6292 -16.6292 -16.6292 -8.2065 -8.2065 -8.2065 -8.2065 -5.8136 -5.8136 -5.8136 -5.8136 -4.8529 -4.8529 -4.8529 -4.8529 -4.8000 -4.8000 -4.8000 -4.8000 -2.0981 -2.0981 -2.0981 -2.0981 -1.8263 -1.8263 -1.8263 -1.8263 -1.7271 -1.7271 -1.7271 -1.7271 -1.3238 -1.3238 -1.3238 -1.3238 -1.1163 -1.1163 -1.1163 -1.1163 0.2772 0.2772 0.2772 0.2772 0.2898 0.2898 0.2898 0.2898 0.7630 0.7630 0.7630 0.7630 8.4551 8.4551 8.4551 8.4551 10.6742 10.6742 10.6742 10.6742 11.0335 11.0335 11.0335 11.0335 k = 0.3108 0.1794 0.3060 ( 6622 PWs) bands (ev): -18.5333 -18.5333 -18.5333 -18.5333 -17.3397 -17.3397 -17.3397 -17.3397 -16.6401 -16.6401 -16.6401 -16.6401 -16.6298 -16.6298 -16.6298 -16.6298 -8.1640 -8.1640 -8.1640 -8.1640 -5.8416 -5.8416 -5.8416 -5.8416 -4.8396 -4.8396 -4.8396 -4.8396 -4.7881 -4.7881 -4.7881 -4.7881 -2.1176 -2.1176 -2.1176 -2.1176 -1.8306 -1.8306 -1.8306 -1.8306 -1.7216 -1.7216 -1.7216 -1.7216 -1.3338 -1.3338 -1.3338 -1.3338 -1.1091 -1.1091 -1.1091 -1.1091 0.2492 0.2492 0.2492 0.2492 0.2672 0.2672 0.2672 0.2672 0.7549 0.7549 0.7549 0.7549 8.5243 8.5243 8.5243 8.5243 10.6440 10.6440 10.6440 10.6440 11.0327 11.0327 11.0327 11.0327 k = 0.3243 0.1872 0.3060 ( 6610 PWs) bands (ev): -18.5151 -18.5151 -18.5151 -18.5151 -17.3653 -17.3653 -17.3653 -17.3653 -16.6405 -16.6405 -16.6405 -16.6405 -16.6304 -16.6304 -16.6304 -16.6304 -8.1220 -8.1220 -8.1220 -8.1220 -5.8693 -5.8693 -5.8693 -5.8693 -4.8266 -4.8266 -4.8266 -4.8266 -4.7767 -4.7767 -4.7767 -4.7767 -2.1366 -2.1366 -2.1366 -2.1366 -1.8348 -1.8348 -1.8348 -1.8348 -1.7161 -1.7161 -1.7161 -1.7161 -1.3434 -1.3434 -1.3434 -1.3434 -1.1015 -1.1015 -1.1015 -1.1015 0.2128 0.2128 0.2128 0.2128 0.2533 0.2533 0.2533 0.2533 0.7481 0.7481 0.7481 0.7481 8.5948 8.5948 8.5948 8.5948 10.6064 10.6064 10.6064 10.6064 11.0343 11.0343 11.0343 11.0343 k = 0.3378 0.1951 0.3060 ( 6606 PWs) bands (ev): -18.4970 -18.4970 -18.4970 -18.4970 -17.3905 -17.3905 -17.3905 -17.3905 -16.6409 -16.6409 -16.6409 -16.6409 -16.6310 -16.6310 -16.6310 -16.6310 -8.0808 -8.0808 -8.0808 -8.0808 -5.8967 -5.8967 -5.8967 -5.8967 -4.8142 -4.8142 -4.8142 -4.8142 -4.7659 -4.7659 -4.7659 -4.7659 -2.1551 -2.1551 -2.1551 -2.1551 -1.8390 -1.8390 -1.8390 -1.8390 -1.7106 -1.7106 -1.7106 -1.7106 -1.3528 -1.3528 -1.3528 -1.3528 -1.0937 -1.0937 -1.0937 -1.0937 0.1758 0.1758 0.1758 0.1758 0.2410 0.2410 0.2410 0.2410 0.7425 0.7425 0.7425 0.7425 8.6665 8.6665 8.6665 8.6665 10.5626 10.5626 10.5626 10.5626 11.0373 11.0373 11.0373 11.0373 k = 0.3514 0.2029 0.3060 ( 6606 PWs) bands (ev): -18.4790 -18.4790 -18.4790 -18.4790 -17.4152 -17.4152 -17.4152 -17.4152 -16.6412 -16.6412 -16.6412 -16.6412 -16.6315 -16.6315 -16.6315 -16.6315 -8.0407 -8.0407 -8.0407 -8.0407 -5.9235 -5.9235 -5.9235 -5.9235 -4.8023 -4.8023 -4.8023 -4.8023 -4.7557 -4.7557 -4.7557 -4.7557 -2.1729 -2.1729 -2.1729 -2.1729 -1.8430 -1.8430 -1.8430 -1.8430 -1.7053 -1.7053 -1.7053 -1.7053 -1.3618 -1.3618 -1.3618 -1.3618 -1.0856 -1.0856 -1.0856 -1.0856 0.1391 0.1391 0.1391 0.1391 0.2298 0.2298 0.2298 0.2298 0.7378 0.7378 0.7378 0.7378 8.7391 8.7391 8.7391 8.7391 10.5139 10.5139 10.5139 10.5139 11.0406 11.0406 11.0406 11.0406 k = 0.3649 0.2107 0.3060 ( 6590 PWs) bands (ev): -18.4614 -18.4614 -18.4614 -18.4614 -17.4391 -17.4391 -17.4391 -17.4391 -16.6415 -16.6415 -16.6415 -16.6415 -16.6320 -16.6320 -16.6320 -16.6320 -8.0021 -8.0021 -8.0021 -8.0021 -5.9494 -5.9494 -5.9494 -5.9494 -4.7911 -4.7911 -4.7911 -4.7911 -4.7461 -4.7461 -4.7461 -4.7461 -2.1897 -2.1897 -2.1897 -2.1897 -1.8468 -1.8468 -1.8468 -1.8468 -1.7001 -1.7001 -1.7001 -1.7001 -1.3702 -1.3702 -1.3702 -1.3702 -1.0774 -1.0774 -1.0774 -1.0774 0.1034 0.1034 0.1034 0.1034 0.2196 0.2196 0.2196 0.2196 0.7338 0.7338 0.7338 0.7338 8.8123 8.8123 8.8123 8.8123 10.4612 10.4612 10.4612 10.4612 11.0437 11.0437 11.0437 11.0437 k = 0.3784 0.2185 0.3060 ( 6580 PWs) bands (ev): -18.4443 -18.4443 -18.4443 -18.4443 -17.4620 -17.4620 -17.4620 -17.4620 -16.6418 -16.6418 -16.6418 -16.6418 -16.6324 -16.6324 -16.6324 -16.6324 -7.9654 -7.9654 -7.9654 -7.9654 -5.9742 -5.9742 -5.9742 -5.9742 -4.7806 -4.7806 -4.7806 -4.7806 -4.7373 -4.7373 -4.7373 -4.7373 -2.2056 -2.2056 -2.2056 -2.2056 -1.8504 -1.8504 -1.8504 -1.8504 -1.6951 -1.6951 -1.6951 -1.6951 -1.3781 -1.3781 -1.3781 -1.3781 -1.0692 -1.0692 -1.0692 -1.0692 0.0691 0.0691 0.0691 0.0691 0.2105 0.2105 0.2105 0.2105 0.7306 0.7306 0.7306 0.7306 8.8856 8.8856 8.8856 8.8856 10.4054 10.4054 10.4054 10.4054 11.0462 11.0462 11.0462 11.0462 k = 0.3919 0.2263 0.3060 ( 6588 PWs) bands (ev): -18.4279 -18.4279 -18.4279 -18.4279 -17.4837 -17.4837 -17.4837 -17.4837 -16.6420 -16.6420 -16.6420 -16.6420 -16.6328 -16.6328 -16.6328 -16.6328 -7.9310 -7.9310 -7.9310 -7.9310 -5.9977 -5.9977 -5.9977 -5.9977 -4.7710 -4.7710 -4.7710 -4.7710 -4.7293 -4.7293 -4.7293 -4.7293 -2.2203 -2.2203 -2.2203 -2.2203 -1.8537 -1.8537 -1.8537 -1.8537 -1.6905 -1.6905 -1.6905 -1.6905 -1.3853 -1.3853 -1.3853 -1.3853 -1.0610 -1.0610 -1.0610 -1.0610 0.0367 0.0367 0.0367 0.0367 0.2024 0.2024 0.2024 0.2024 0.7278 0.7278 0.7278 0.7278 8.9587 8.9587 8.9587 8.9587 10.3474 10.3474 10.3474 10.3474 11.0481 11.0481 11.0481 11.0481 k = 0.4054 0.2341 0.3060 ( 6586 PWs) bands (ev): -18.4126 -18.4126 -18.4126 -18.4126 -17.5039 -17.5039 -17.5039 -17.5039 -16.6423 -16.6423 -16.6423 -16.6423 -16.6331 -16.6331 -16.6331 -16.6331 -7.8992 -7.8992 -7.8992 -7.8992 -6.0195 -6.0195 -6.0195 -6.0195 -4.7623 -4.7623 -4.7623 -4.7623 -4.7221 -4.7221 -4.7221 -4.7221 -2.2337 -2.2337 -2.2337 -2.2337 -1.8568 -1.8568 -1.8568 -1.8568 -1.6861 -1.6861 -1.6861 -1.6861 -1.3918 -1.3918 -1.3918 -1.3918 -1.0531 -1.0531 -1.0531 -1.0531 0.0067 0.0067 0.0067 0.0067 0.1953 0.1953 0.1953 0.1953 0.7256 0.7256 0.7256 0.7256 9.0310 9.0310 9.0310 9.0310 10.2879 10.2879 10.2879 10.2879 11.0494 11.0494 11.0494 11.0494 k = 0.4189 0.2419 0.3060 ( 6590 PWs) bands (ev): -18.3985 -18.3985 -18.3985 -18.3985 -17.5222 -17.5222 -17.5222 -17.5222 -16.6425 -16.6425 -16.6425 -16.6425 -16.6334 -16.6334 -16.6334 -16.6334 -7.8706 -7.8706 -7.8706 -7.8706 -6.0392 -6.0392 -6.0392 -6.0392 -4.7546 -4.7546 -4.7546 -4.7546 -4.7158 -4.7158 -4.7158 -4.7158 -2.2455 -2.2455 -2.2455 -2.2455 -1.8595 -1.8595 -1.8595 -1.8595 -1.6823 -1.6823 -1.6823 -1.6823 -1.3976 -1.3976 -1.3976 -1.3976 -1.0456 -1.0456 -1.0456 -1.0456 -0.0206 -0.0206 -0.0206 -0.0206 0.1891 0.1891 0.1891 0.1891 0.7238 0.7238 0.7238 0.7238 9.1017 9.1017 9.1017 9.1017 10.2280 10.2280 10.2280 10.2280 11.0501 11.0501 11.0501 11.0501 k = 0.4324 0.2497 0.3060 ( 6600 PWs) bands (ev): -18.3859 -18.3859 -18.3859 -18.3859 -17.5384 -17.5384 -17.5384 -17.5384 -16.6426 -16.6426 -16.6426 -16.6426 -16.6337 -16.6337 -16.6337 -16.6337 -7.8456 -7.8456 -7.8456 -7.8456 -6.0567 -6.0567 -6.0567 -6.0567 -4.7480 -4.7480 -4.7480 -4.7480 -4.7103 -4.7103 -4.7103 -4.7103 -2.2558 -2.2558 -2.2558 -2.2558 -1.8618 -1.8618 -1.8618 -1.8618 -1.6789 -1.6789 -1.6789 -1.6789 -1.4025 -1.4025 -1.4025 -1.4025 -1.0388 -1.0388 -1.0388 -1.0388 -0.0445 -0.0445 -0.0445 -0.0445 0.1840 0.1840 0.1840 0.1840 0.7223 0.7223 0.7223 0.7223 9.1696 9.1696 9.1696 9.1696 10.1690 10.1690 10.1690 10.1690 11.0504 11.0504 11.0504 11.0504 k = 0.4459 0.2575 0.3060 ( 6610 PWs) bands (ev): -18.3751 -18.3751 -18.3751 -18.3751 -17.5522 -17.5522 -17.5522 -17.5522 -16.6428 -16.6428 -16.6428 -16.6428 -16.6339 -16.6339 -16.6339 -16.6339 -7.8244 -7.8244 -7.8244 -7.8244 -6.0715 -6.0715 -6.0715 -6.0715 -4.7425 -4.7425 -4.7425 -4.7425 -4.7058 -4.7058 -4.7058 -4.7058 -2.2644 -2.2644 -2.2644 -2.2644 -1.8638 -1.8638 -1.8638 -1.8638 -1.6760 -1.6760 -1.6760 -1.6760 -1.4066 -1.4066 -1.4066 -1.4066 -1.0328 -1.0328 -1.0328 -1.0328 -0.0648 -0.0648 -0.0648 -0.0648 0.1798 0.1798 0.1798 0.1798 0.7211 0.7211 0.7211 0.7211 9.2330 9.2330 9.2330 9.2330 10.1127 10.1127 10.1127 10.1127 11.0504 11.0504 11.0504 11.0504 k = 0.4595 0.2653 0.3060 ( 6610 PWs) bands (ev): -18.3664 -18.3664 -18.3664 -18.3664 -17.5632 -17.5632 -17.5632 -17.5632 -16.6429 -16.6429 -16.6429 -16.6429 -16.6341 -16.6341 -16.6341 -16.6341 -7.8076 -7.8076 -7.8076 -7.8076 -6.0833 -6.0833 -6.0833 -6.0833 -4.7381 -4.7381 -4.7381 -4.7381 -4.7023 -4.7023 -4.7023 -4.7023 -2.2712 -2.2712 -2.2712 -2.2712 -1.8653 -1.8653 -1.8653 -1.8653 -1.6738 -1.6738 -1.6738 -1.6738 -1.4098 -1.4098 -1.4098 -1.4098 -1.0279 -1.0279 -1.0279 -1.0279 -0.0810 -0.0810 -0.0810 -0.0810 0.1765 0.1765 0.1765 0.1765 0.7203 0.7203 0.7203 0.7203 9.2896 9.2896 9.2896 9.2896 10.0616 10.0616 10.0616 10.0616 11.0502 11.0502 11.0502 11.0502 k = 0.4730 0.2731 0.3060 ( 6610 PWs) bands (ev): -18.3599 -18.3599 -18.3599 -18.3599 -17.5713 -17.5713 -17.5713 -17.5713 -16.6430 -16.6430 -16.6430 -16.6430 -16.6342 -16.6342 -16.6342 -16.6342 -7.7953 -7.7953 -7.7953 -7.7953 -6.0920 -6.0920 -6.0920 -6.0920 -4.7350 -4.7350 -4.7350 -4.7350 -4.6998 -4.6998 -4.6998 -4.6998 -2.2761 -2.2761 -2.2761 -2.2761 -1.8664 -1.8664 -1.8664 -1.8664 -1.6721 -1.6721 -1.6721 -1.6721 -1.4121 -1.4121 -1.4121 -1.4121 -1.0242 -1.0242 -1.0242 -1.0242 -0.0928 -0.0928 -0.0928 -0.0928 0.1742 0.1742 0.1742 0.1742 0.7197 0.7197 0.7197 0.7197 9.3357 9.3357 9.3357 9.3357 10.0194 10.0194 10.0194 10.0194 11.0500 11.0500 11.0500 11.0500 k = 0.4865 0.2809 0.3060 ( 6606 PWs) bands (ev): -18.3560 -18.3560 -18.3560 -18.3560 -17.5763 -17.5763 -17.5763 -17.5763 -16.6430 -16.6430 -16.6430 -16.6430 -16.6342 -16.6342 -16.6342 -16.6342 -7.7879 -7.7879 -7.7879 -7.7879 -6.0973 -6.0973 -6.0973 -6.0973 -4.7331 -4.7331 -4.7331 -4.7331 -4.6982 -4.6982 -4.6982 -4.6982 -2.2790 -2.2790 -2.2790 -2.2790 -1.8671 -1.8671 -1.8671 -1.8671 -1.6711 -1.6711 -1.6711 -1.6711 -1.4135 -1.4135 -1.4135 -1.4135 -1.0219 -1.0219 -1.0219 -1.0219 -0.1000 -0.1000 -0.1000 -0.1000 0.1728 0.1728 0.1728 0.1728 0.7193 0.7193 0.7193 0.7193 9.3665 9.3665 9.3665 9.3665 9.9908 9.9908 9.9908 9.9908 11.0499 11.0499 11.0499 11.0499 k = 0.5000 0.2887 0.3060 ( 6604 PWs) bands (ev): -18.3547 -18.3547 -18.3547 -18.3547 -17.5780 -17.5780 -17.5780 -17.5780 -16.6431 -16.6431 -16.6431 -16.6431 -16.6343 -16.6343 -16.6343 -16.6343 -7.7853 -7.7853 -7.7853 -7.7853 -6.0991 -6.0991 -6.0991 -6.0991 -4.7325 -4.7325 -4.7325 -4.7325 -4.6977 -4.6977 -4.6977 -4.6977 -2.2800 -2.2800 -2.2800 -2.2800 -1.8673 -1.8673 -1.8673 -1.8673 -1.6708 -1.6708 -1.6708 -1.6708 -1.4140 -1.4140 -1.4140 -1.4140 -1.0212 -1.0212 -1.0212 -1.0212 -0.1024 -0.1024 -0.1024 -0.1024 0.1723 0.1723 0.1723 0.1723 0.7192 0.7192 0.7192 0.7192 9.3775 9.3775 9.3775 9.3775 9.9806 9.9806 9.9806 9.9806 11.0498 11.0498 11.0498 11.0498 k = 0.5000 0.2887 0.3060 ( 6604 PWs) bands (ev): -18.3547 -18.3547 -18.3547 -18.3547 -17.5780 -17.5780 -17.5780 -17.5780 -16.6431 -16.6431 -16.6431 -16.6431 -16.6343 -16.6343 -16.6343 -16.6343 -7.7853 -7.7853 -7.7853 -7.7853 -6.0991 -6.0991 -6.0991 -6.0991 -4.7325 -4.7325 -4.7325 -4.7325 -4.6977 -4.6977 -4.6977 -4.6977 -2.2800 -2.2800 -2.2800 -2.2800 -1.8673 -1.8673 -1.8673 -1.8673 -1.6708 -1.6708 -1.6708 -1.6708 -1.4140 -1.4140 -1.4140 -1.4140 -1.0212 -1.0212 -1.0212 -1.0212 -0.1024 -0.1024 -0.1024 -0.1024 0.1723 0.1723 0.1723 0.1723 0.7192 0.7192 0.7192 0.7192 9.3775 9.3775 9.3775 9.3775 9.9806 9.9806 9.9806 9.9806 11.0498 11.0498 11.0498 11.0498 k = 0.4921 0.3024 0.3060 ( 6598 PWs) bands (ev): -18.3543 -18.3543 -18.3542 -18.3542 -17.5787 -17.5787 -17.5783 -17.5783 -16.6433 -16.6433 -16.6429 -16.6428 -16.6346 -16.6346 -16.6340 -16.6340 -7.7845 -7.7845 -7.7841 -7.7841 -6.1003 -6.1003 -6.0998 -6.0998 -4.7327 -4.7327 -4.7322 -4.7322 -4.6975 -4.6975 -4.6971 -4.6971 -2.2802 -2.2802 -2.2799 -2.2799 -1.8714 -1.8714 -1.8711 -1.8711 -1.6671 -1.6671 -1.6667 -1.6667 -1.4138 -1.4138 -1.4137 -1.4137 -1.0207 -1.0207 -1.0204 -1.0204 -0.1037 -0.1037 -0.1035 -0.1035 0.1730 0.1730 0.1731 0.1731 0.7176 0.7176 0.7177 0.7177 9.3784 9.3784 9.3785 9.3785 9.9825 9.9825 9.9825 9.9825 11.0501 11.0501 11.0502 11.0502 k = 0.4841 0.3162 0.3060 ( 6604 PWs) bands (ev): -18.3530 -18.3530 -18.3528 -18.3528 -17.5804 -17.5804 -17.5798 -17.5798 -16.6436 -16.6436 -16.6427 -16.6427 -16.6350 -16.6350 -16.6337 -16.6337 -7.7814 -7.7814 -7.7807 -7.7807 -6.1036 -6.1036 -6.1026 -6.1026 -4.7327 -4.7327 -4.7319 -4.7319 -4.6965 -4.6965 -4.6958 -4.6958 -2.2806 -2.2806 -2.2800 -2.2800 -1.8824 -1.8824 -1.8817 -1.8817 -1.6567 -1.6567 -1.6558 -1.6558 -1.4132 -1.4132 -1.4130 -1.4130 -1.0188 -1.0188 -1.0183 -1.0183 -0.1075 -0.1075 -0.1070 -0.1070 0.1751 0.1751 0.1754 0.1754 0.7129 0.7129 0.7130 0.7130 9.3812 9.3812 9.3815 9.3815 9.9882 9.9882 9.9882 9.9882 11.0508 11.0508 11.0510 11.0510 k = 0.4762 0.3299 0.3060 ( 6604 PWs) bands (ev): -18.3509 -18.3509 -18.3505 -18.3505 -17.5832 -17.5832 -17.5823 -17.5823 -16.6439 -16.6439 -16.6426 -16.6426 -16.6354 -16.6354 -16.6335 -16.6335 -7.7763 -7.7763 -7.7753 -7.7753 -6.1088 -6.1088 -6.1072 -6.1072 -4.7326 -4.7326 -4.7315 -4.7315 -4.6947 -4.6947 -4.6937 -4.6937 -2.2811 -2.2811 -2.2801 -2.2801 -1.8982 -1.8982 -1.8972 -1.8972 -1.6414 -1.6414 -1.6402 -1.6402 -1.4121 -1.4121 -1.4117 -1.4117 -1.0156 -1.0156 -1.0149 -1.0149 -0.1136 -0.1136 -0.1128 -0.1128 0.1785 0.1785 0.1789 0.1789 0.7051 0.7051 0.7053 0.7053 9.3860 9.3860 9.3863 9.3863 9.9976 9.9976 9.9977 9.9977 11.0520 11.0520 11.0523 11.0523 k = 0.4683 0.3437 0.3060 ( 6608 PWs) bands (ev): -18.3479 -18.3479 -18.3474 -18.3474 -17.5871 -17.5871 -17.5858 -17.5858 -16.6443 -16.6443 -16.6426 -16.6426 -16.6359 -16.6359 -16.6333 -16.6333 -7.7692 -7.7692 -7.7678 -7.7678 -6.1158 -6.1158 -6.1138 -6.1138 -4.7324 -4.7324 -4.7310 -4.7310 -4.6922 -4.6922 -4.6910 -4.6910 -2.2817 -2.2817 -2.2805 -2.2805 -1.9170 -1.9170 -1.9155 -1.9155 -1.6236 -1.6236 -1.6220 -1.6220 -1.4105 -1.4105 -1.4100 -1.4100 -1.0110 -1.0110 -1.0100 -1.0100 -0.1219 -0.1219 -0.1210 -0.1210 0.1832 0.1832 0.1836 0.1836 0.6945 0.6945 0.6948 0.6948 9.3925 9.3925 9.3930 9.3930 10.0107 10.0107 10.0108 10.0108 11.0534 11.0534 11.0539 11.0539 k = 0.4603 0.3574 0.3060 ( 6608 PWs) bands (ev): -18.3441 -18.3441 -18.3435 -18.3435 -17.5919 -17.5919 -17.5903 -17.5903 -16.6447 -16.6447 -16.6426 -16.6426 -16.6363 -16.6363 -16.6332 -16.6332 -7.7602 -7.7602 -7.7584 -7.7584 -6.1246 -6.1246 -6.1221 -6.1221 -4.7320 -4.7320 -4.7304 -4.7304 -4.6890 -4.6890 -4.6877 -4.6877 -2.2826 -2.2826 -2.2810 -2.2810 -1.9374 -1.9374 -1.9354 -1.9354 -1.6046 -1.6046 -1.6028 -1.6028 -1.4081 -1.4081 -1.4075 -1.4075 -1.0047 -1.0047 -1.0035 -1.0035 -0.1324 -0.1324 -0.1314 -0.1314 0.1890 0.1890 0.1893 0.1893 0.6812 0.6812 0.6816 0.6816 9.4009 9.4009 9.4015 9.4015 10.0274 10.0274 10.0275 10.0275 11.0549 11.0549 11.0555 11.0555 k = 0.4524 0.3712 0.3060 ( 6616 PWs) bands (ev): -18.3395 -18.3395 -18.3387 -18.3387 -17.5976 -17.5976 -17.5957 -17.5957 -16.6451 -16.6451 -16.6428 -16.6428 -16.6367 -16.6367 -16.6331 -16.6331 -7.7493 -7.7493 -7.7471 -7.7471 -6.1351 -6.1351 -6.1321 -6.1321 -4.7314 -4.7314 -4.7296 -4.7296 -4.6854 -4.6854 -4.6839 -4.6839 -2.2838 -2.2838 -2.2818 -2.2818 -1.9582 -1.9582 -1.9556 -1.9556 -1.5859 -1.5859 -1.5838 -1.5838 -1.4050 -1.4050 -1.4043 -1.4043 -0.9966 -0.9966 -0.9953 -0.9953 -0.1449 -0.1449 -0.1440 -0.1440 0.1957 0.1957 0.1958 0.1958 0.6655 0.6655 0.6660 0.6660 9.4110 9.4110 9.4117 9.4117 10.0474 10.0474 10.0475 10.0475 11.0561 11.0561 11.0568 11.0568 k = 0.4444 0.3849 0.3060 ( 6616 PWs) bands (ev): -18.3342 -18.3342 -18.3333 -18.3333 -17.6042 -17.6042 -17.6020 -17.6020 -16.6456 -16.6456 -16.6430 -16.6430 -16.6371 -16.6371 -16.6330 -16.6330 -7.7368 -7.7368 -7.7343 -7.7343 -6.1470 -6.1470 -6.1435 -6.1435 -4.7306 -4.7306 -4.7287 -4.7287 -4.6812 -4.6812 -4.6797 -4.6797 -2.2852 -2.2852 -2.2828 -2.2828 -1.9789 -1.9789 -1.9757 -1.9757 -1.5682 -1.5682 -1.5659 -1.5659 -1.4010 -1.4010 -1.4002 -1.4002 -0.9866 -0.9866 -0.9852 -0.9852 -0.1595 -0.1595 -0.1586 -0.1586 0.2030 0.2030 0.2031 0.2031 0.6478 0.6478 0.6485 0.6485 9.4228 9.4228 9.4235 9.4235 10.0707 10.0707 10.0708 10.0708 11.0565 11.0565 11.0574 11.0574 k = 0.4365 0.3986 0.3060 ( 6612 PWs) bands (ev): -18.3282 -18.3282 -18.3271 -18.3271 -17.6116 -17.6116 -17.6091 -17.6091 -16.6461 -16.6461 -16.6433 -16.6433 -16.6374 -16.6374 -16.6330 -16.6330 -7.7228 -7.7228 -7.7199 -7.7199 -6.1603 -6.1603 -6.1563 -6.1563 -4.7297 -4.7297 -4.7277 -4.7277 -4.6767 -4.6767 -4.6752 -4.6752 -2.2870 -2.2870 -2.2841 -2.2841 -1.9989 -1.9989 -1.9951 -1.9951 -1.5522 -1.5522 -1.5499 -1.5499 -1.3961 -1.3961 -1.3952 -1.3952 -0.9744 -0.9744 -0.9729 -0.9729 -0.1762 -0.1762 -0.1754 -0.1754 0.2108 0.2108 0.2112 0.2112 0.6284 0.6284 0.6292 0.6292 9.4360 9.4360 9.4369 9.4369 10.0969 10.0969 10.0970 10.0970 11.0559 11.0559 11.0570 11.0570 k = 0.4286 0.4124 0.3060 ( 6612 PWs) bands (ev): -18.3216 -18.3216 -18.3204 -18.3204 -17.6197 -17.6197 -17.6169 -17.6169 -16.6466 -16.6466 -16.6437 -16.6437 -16.6376 -16.6376 -16.6330 -16.6330 -7.7076 -7.7076 -7.7043 -7.7043 -6.1747 -6.1747 -6.1702 -6.1702 -4.7286 -4.7286 -4.7266 -4.7266 -4.6720 -4.6720 -4.6704 -4.6704 -2.2892 -2.2892 -2.2857 -2.2857 -2.0179 -2.0179 -2.0134 -2.0134 -1.5384 -1.5384 -1.5360 -1.5360 -1.3902 -1.3902 -1.3893 -1.3893 -0.9599 -0.9599 -0.9583 -0.9583 -0.1948 -0.1948 -0.1942 -0.1942 0.2189 0.2189 0.2197 0.2197 0.6076 0.6076 0.6087 0.6087 9.4507 9.4507 9.4517 9.4517 10.1260 10.1260 10.1261 10.1261 11.0535 11.0535 11.0548 11.0548 k = 0.4206 0.4261 0.3060 ( 6616 PWs) bands (ev): -18.3145 -18.3145 -18.3132 -18.3132 -17.6283 -17.6283 -17.6253 -17.6253 -16.6470 -16.6470 -16.6441 -16.6441 -16.6378 -16.6378 -16.6330 -16.6330 -7.6913 -7.6913 -7.6877 -7.6877 -6.1899 -6.1899 -6.1849 -6.1849 -4.7274 -4.7274 -4.7254 -4.7254 -4.6671 -4.6671 -4.6656 -4.6656 -2.2918 -2.2918 -2.2878 -2.2878 -2.0356 -2.0356 -2.0304 -2.0304 -1.5269 -1.5269 -1.5245 -1.5245 -1.3836 -1.3836 -1.3828 -1.3828 -0.9428 -0.9428 -0.9414 -0.9414 -0.2155 -0.2155 -0.2152 -0.2152 0.2273 0.2273 0.2286 0.2286 0.5861 0.5861 0.5874 0.5874 9.4666 9.4666 9.4677 9.4677 10.1575 10.1575 10.1576 10.1576 11.0488 11.0488 11.0504 11.0504 k = 0.4127 0.4399 0.3060 ( 6608 PWs) bands (ev): -18.3070 -18.3070 -18.3055 -18.3055 -17.6375 -17.6375 -17.6341 -17.6341 -16.6475 -16.6475 -16.6446 -16.6446 -16.6380 -16.6380 -16.6330 -16.6330 -7.6744 -7.6744 -7.6704 -7.6704 -6.2057 -6.2057 -6.2003 -6.2003 -4.7260 -4.7260 -4.7241 -4.7241 -4.6622 -4.6622 -4.6607 -4.6607 -2.2949 -2.2949 -2.2903 -2.2903 -2.0518 -2.0518 -2.0458 -2.0458 -1.5176 -1.5176 -1.5153 -1.5153 -1.3765 -1.3765 -1.3757 -1.3757 -0.9233 -0.9233 -0.9219 -0.9219 -0.2381 -0.2381 -0.2381 -0.2381 0.2358 0.2358 0.2377 0.2377 0.5641 0.5641 0.5658 0.5658 9.4835 9.4835 9.4847 9.4847 10.1912 10.1912 10.1913 10.1913 11.0412 11.0412 11.0430 11.0430 k = 0.4048 0.4536 0.3060 ( 6600 PWs) bands (ev): -18.2993 -18.2993 -18.2976 -18.2976 -17.6469 -17.6469 -17.6433 -17.6433 -16.6480 -16.6480 -16.6451 -16.6451 -16.6381 -16.6381 -16.6330 -16.6330 -7.6570 -7.6570 -7.6526 -7.6526 -6.2218 -6.2218 -6.2159 -6.2159 -4.7246 -4.7246 -4.7227 -4.7227 -4.6573 -4.6573 -4.6558 -4.6558 -2.2984 -2.2984 -2.2932 -2.2932 -2.0663 -2.0663 -2.0596 -2.0596 -1.5104 -1.5104 -1.5082 -1.5082 -1.3694 -1.3694 -1.3686 -1.3686 -0.9012 -0.9012 -0.9000 -0.9000 -0.2632 -0.2632 -0.2627 -0.2627 0.2443 0.2443 0.2469 0.2469 0.5422 0.5422 0.5444 0.5444 9.5013 9.5013 9.5026 9.5026 10.2266 10.2266 10.2267 10.2267 11.0299 11.0299 11.0321 11.0321 k = 0.3968 0.4674 0.3060 ( 6596 PWs) bands (ev): -18.2914 -18.2914 -18.2895 -18.2895 -17.6564 -17.6564 -17.6525 -17.6525 -16.6484 -16.6484 -16.6457 -16.6457 -16.6382 -16.6382 -16.6330 -16.6330 -7.6396 -7.6396 -7.6349 -7.6349 -6.2378 -6.2378 -6.2316 -6.2316 -4.7232 -4.7232 -4.7213 -4.7213 -4.6525 -4.6525 -4.6511 -4.6511 -2.3022 -2.3022 -2.2966 -2.2966 -2.0789 -2.0789 -2.0716 -2.0716 -1.5049 -1.5049 -1.5028 -1.5028 -1.3625 -1.3625 -1.3618 -1.3618 -0.8766 -0.8766 -0.8757 -0.8757 -0.2902 -0.2902 -0.2893 -0.2893 0.2525 0.2525 0.2560 0.2560 0.5208 0.5208 0.5236 0.5236 9.5197 9.5197 9.5210 9.5210 10.2633 10.2633 10.2635 10.2635 11.0145 11.0145 11.0170 11.0170 k = 0.3889 0.4811 0.3060 ( 6596 PWs) bands (ev): -18.2835 -18.2835 -18.2815 -18.2815 -17.6658 -17.6658 -17.6617 -17.6617 -16.6489 -16.6489 -16.6462 -16.6462 -16.6382 -16.6382 -16.6331 -16.6331 -7.6225 -7.6225 -7.6174 -7.6174 -6.2535 -6.2535 -6.2469 -6.2469 -4.7218 -4.7218 -4.7200 -4.7200 -4.6480 -4.6480 -4.6467 -4.6467 -2.3064 -2.3064 -2.3002 -2.3002 -2.0898 -2.0898 -2.0818 -2.0818 -1.5008 -1.5008 -1.4989 -1.4989 -1.3563 -1.3563 -1.3555 -1.3555 -0.8498 -0.8498 -0.8492 -0.8492 -0.3191 -0.3191 -0.3177 -0.3177 0.2605 0.2605 0.2649 0.2649 0.5004 0.5004 0.5039 0.5039 9.5382 9.5382 9.5397 9.5397 10.3007 10.3007 10.3011 10.3011 10.9946 10.9946 10.9975 10.9975 k = 0.3810 0.4949 0.3060 ( 6588 PWs) bands (ev): -18.2759 -18.2759 -18.2738 -18.2738 -17.6749 -17.6749 -17.6706 -17.6706 -16.6492 -16.6492 -16.6466 -16.6466 -16.6383 -16.6383 -16.6331 -16.6331 -7.6062 -7.6062 -7.6008 -7.6008 -6.2684 -6.2684 -6.2614 -6.2614 -4.7204 -4.7204 -4.7186 -4.7186 -4.6439 -4.6439 -4.6426 -4.6426 -2.3106 -2.3106 -2.3040 -2.3040 -2.0988 -2.0988 -2.0903 -2.0903 -1.4978 -1.4978 -1.4960 -1.4960 -1.3508 -1.3508 -1.3500 -1.3500 -0.8210 -0.8210 -0.8208 -0.8208 -0.3497 -0.3497 -0.3477 -0.3477 0.2679 0.2679 0.2734 0.2734 0.4815 0.4815 0.4858 0.4858 9.5567 9.5567 9.5582 9.5582 10.3380 10.3380 10.3387 10.3387 10.9704 10.9704 10.9738 10.9738 k = 0.3730 0.5086 0.3060 ( 6568 PWs) bands (ev): -18.2687 -18.2687 -18.2665 -18.2665 -17.6835 -17.6835 -17.6789 -17.6789 -16.6496 -16.6496 -16.6470 -16.6470 -16.6383 -16.6383 -16.6332 -16.6332 -7.5911 -7.5911 -7.5854 -7.5854 -6.2821 -6.2821 -6.2748 -6.2748 -4.7191 -4.7191 -4.7174 -4.7174 -4.6401 -4.6401 -4.6389 -4.6389 -2.3148 -2.3148 -2.3079 -2.3079 -2.1060 -2.1060 -2.0971 -2.0971 -1.4956 -1.4956 -1.4940 -1.4940 -1.3462 -1.3462 -1.3454 -1.3454 -0.7910 -0.7910 -0.7906 -0.7906 -0.3815 -0.3815 -0.3789 -0.3789 0.2746 0.2746 0.2813 0.2813 0.4644 0.4644 0.4698 0.4698 9.5745 9.5745 9.5761 9.5761 10.3744 10.3744 10.3753 10.3753 10.9427 10.9427 10.9466 10.9466 k = 0.3651 0.5224 0.3060 ( 6560 PWs) bands (ev): -18.2623 -18.2623 -18.2599 -18.2599 -17.6911 -17.6911 -17.6864 -17.6864 -16.6499 -16.6499 -16.6474 -16.6474 -16.6383 -16.6383 -16.6332 -16.6332 -7.5777 -7.5777 -7.5718 -7.5718 -6.2943 -6.2943 -6.2866 -6.2866 -4.7179 -4.7179 -4.7162 -4.7162 -4.6369 -4.6369 -4.6357 -4.6357 -2.3187 -2.3187 -2.3115 -2.3115 -2.1116 -2.1116 -2.1023 -2.1023 -1.4941 -1.4941 -1.4925 -1.4925 -1.3426 -1.3426 -1.3418 -1.3418 -0.7604 -0.7604 -0.7594 -0.7594 -0.4142 -0.4142 -0.4108 -0.4108 0.2803 0.2803 0.2883 0.2883 0.4497 0.4497 0.4562 0.4562 9.5912 9.5912 9.5928 9.5928 10.4083 10.4083 10.4096 10.4096 10.9132 10.9132 10.9176 10.9176 k = 0.3571 0.5361 0.3060 ( 6568 PWs) bands (ev): -18.2568 -18.2568 -18.2543 -18.2543 -17.6976 -17.6976 -17.6928 -17.6928 -16.6501 -16.6501 -16.6477 -16.6477 -16.6383 -16.6383 -16.6332 -16.6332 -7.5665 -7.5665 -7.5604 -7.5604 -6.3044 -6.3044 -6.2965 -6.2965 -4.7169 -4.7169 -4.7153 -4.7153 -4.6343 -4.6343 -4.6332 -4.6332 -2.3221 -2.3221 -2.3147 -2.3147 -2.1157 -2.1157 -2.1062 -2.1062 -1.4931 -1.4931 -1.4916 -1.4916 -1.3399 -1.3399 -1.3390 -1.3390 -0.7301 -0.7301 -0.7281 -0.7281 -0.4467 -0.4467 -0.4423 -0.4423 0.2848 0.2848 0.2940 0.2940 0.4379 0.4379 0.4455 0.4455 9.6059 9.6059 9.6076 9.6076 10.4381 10.4381 10.4399 10.4399 10.8843 10.8843 10.8893 10.8893 k = 0.3492 0.5499 0.3060 ( 6566 PWs) bands (ev): -18.2526 -18.2526 -18.2500 -18.2500 -17.7026 -17.7026 -17.6977 -17.6977 -16.6502 -16.6502 -16.6479 -16.6479 -16.6383 -16.6383 -16.6332 -16.6332 -7.5580 -7.5580 -7.5517 -7.5517 -6.3120 -6.3120 -6.3039 -6.3039 -4.7162 -4.7162 -4.7145 -4.7145 -4.6324 -4.6324 -4.6312 -4.6312 -2.3248 -2.3248 -2.3173 -2.3173 -2.1185 -2.1185 -2.1088 -2.1088 -1.4925 -1.4925 -1.4910 -1.4910 -1.3380 -1.3380 -1.3371 -1.3371 -0.7020 -0.7020 -0.6989 -0.6989 -0.4770 -0.4770 -0.4713 -0.4713 0.2879 0.2879 0.2983 0.2983 0.4292 0.4292 0.4378 0.4378 9.6178 9.6178 9.6196 9.6196 10.4614 10.4614 10.4637 10.4637 10.8598 10.8598 10.8653 10.8653 k = 0.3413 0.5636 0.3060 ( 6558 PWs) bands (ev): -18.2499 -18.2499 -18.2472 -18.2472 -17.7058 -17.7058 -17.7008 -17.7008 -16.6503 -16.6503 -16.6480 -16.6480 -16.6383 -16.6383 -16.6333 -16.6333 -7.5526 -7.5526 -7.5462 -7.5462 -6.3168 -6.3168 -6.3086 -6.3086 -4.7156 -4.7156 -4.7141 -4.7141 -4.6312 -4.6312 -4.6300 -4.6300 -2.3265 -2.3265 -2.3190 -2.3190 -2.1201 -2.1201 -2.1102 -2.1102 -1.4922 -1.4922 -1.4907 -1.4907 -1.3369 -1.3369 -1.3360 -1.3360 -0.6802 -0.6802 -0.6756 -0.6756 -0.5009 -0.5009 -0.4938 -0.4938 0.2897 0.2897 0.3007 0.3007 0.4241 0.4241 0.4334 0.4334 9.6259 9.6259 9.6277 9.6277 10.4760 10.4760 10.4786 10.4786 10.8432 10.8432 10.8492 10.8492 k = 0.3333 0.5774 0.3060 ( 6558 PWs) bands (ev): -18.2489 -18.2489 -18.2462 -18.2462 -17.7070 -17.7070 -17.7019 -17.7019 -16.6504 -16.6504 -16.6480 -16.6480 -16.6383 -16.6383 -16.6333 -16.6333 -7.5507 -7.5507 -7.5443 -7.5443 -6.3185 -6.3185 -6.3103 -6.3103 -4.7155 -4.7155 -4.7139 -4.7139 -4.6307 -4.6307 -4.6296 -4.6296 -2.3271 -2.3271 -2.3196 -2.3196 -2.1205 -2.1205 -2.1107 -2.1107 -1.4921 -1.4921 -1.4906 -1.4906 -1.3366 -1.3366 -1.3357 -1.3357 -0.6714 -0.6714 -0.6660 -0.6660 -0.5108 -0.5108 -0.5029 -0.5029 0.2902 0.2902 0.3015 0.3015 0.4225 0.4225 0.4319 0.4319 9.6289 9.6289 9.6307 9.6307 10.4807 10.4807 10.4835 10.4835 10.8375 10.8375 10.8436 10.8436 k = 0.3333 0.5774 0.3060 ( 6558 PWs) bands (ev): -18.2489 -18.2489 -18.2462 -18.2462 -17.7070 -17.7070 -17.7019 -17.7019 -16.6504 -16.6504 -16.6480 -16.6480 -16.6383 -16.6383 -16.6333 -16.6333 -7.5507 -7.5507 -7.5443 -7.5443 -6.3185 -6.3185 -6.3103 -6.3103 -4.7155 -4.7155 -4.7139 -4.7139 -4.6307 -4.6307 -4.6296 -4.6296 -2.3271 -2.3271 -2.3196 -2.3196 -2.1205 -2.1205 -2.1107 -2.1107 -1.4921 -1.4921 -1.4906 -1.4906 -1.3366 -1.3366 -1.3357 -1.3357 -0.6714 -0.6714 -0.6660 -0.6660 -0.5108 -0.5108 -0.5029 -0.5029 0.2902 0.2902 0.3015 0.3015 0.4225 0.4225 0.4319 0.4319 9.6289 9.6289 9.6307 9.6307 10.4807 10.4807 10.4835 10.4835 10.8375 10.8375 10.8436 10.8436 k = 0.3254 0.5636 0.3060 ( 6558 PWs) bands (ev): -18.2499 -18.2499 -18.2473 -18.2473 -17.7058 -17.7058 -17.7007 -17.7007 -16.6503 -16.6503 -16.6480 -16.6480 -16.6383 -16.6383 -16.6333 -16.6333 -7.5527 -7.5527 -7.5463 -7.5463 -6.3168 -6.3168 -6.3086 -6.3086 -4.7157 -4.7157 -4.7141 -4.7141 -4.6312 -4.6312 -4.6301 -4.6301 -2.3265 -2.3265 -2.3189 -2.3189 -2.1201 -2.1201 -2.1103 -2.1103 -1.4922 -1.4922 -1.4907 -1.4907 -1.3369 -1.3369 -1.3360 -1.3360 -0.6804 -0.6804 -0.6758 -0.6758 -0.5006 -0.5006 -0.4935 -0.4935 0.2898 0.2898 0.3009 0.3009 0.4239 0.4239 0.4332 0.4332 9.6254 9.6254 9.6272 9.6272 10.4769 10.4769 10.4796 10.4796 10.8428 10.8428 10.8487 10.8487 k = 0.3175 0.5499 0.3060 ( 6554 PWs) bands (ev): -18.2530 -18.2530 -18.2504 -18.2504 -17.7021 -17.7021 -17.6971 -17.6971 -16.6502 -16.6502 -16.6479 -16.6479 -16.6383 -16.6383 -16.6332 -16.6332 -7.5587 -7.5587 -7.5524 -7.5524 -6.3115 -6.3115 -6.3034 -6.3034 -4.7163 -4.7163 -4.7147 -4.7147 -4.6325 -4.6325 -4.6314 -4.6314 -2.3244 -2.3244 -2.3169 -2.3169 -2.1188 -2.1188 -2.1091 -2.1091 -1.4925 -1.4925 -1.4910 -1.4910 -1.3378 -1.3378 -1.3369 -1.3369 -0.7034 -0.7034 -0.7002 -0.7002 -0.4751 -0.4751 -0.4695 -0.4695 0.2890 0.2890 0.2995 0.2995 0.4280 0.4280 0.4367 0.4367 9.6143 9.6143 9.6160 9.6160 10.4685 10.4685 10.4708 10.4708 10.8565 10.8565 10.8621 10.8621 k = 0.3095 0.5361 0.3060 ( 6556 PWs) bands (ev): -18.2583 -18.2583 -18.2558 -18.2558 -17.6958 -17.6958 -17.6910 -17.6910 -16.6501 -16.6501 -16.6477 -16.6477 -16.6383 -16.6383 -16.6332 -16.6332 -7.5689 -7.5689 -7.5628 -7.5628 -6.3026 -6.3026 -6.2947 -6.2947 -4.7174 -4.7174 -4.7157 -4.7157 -4.6348 -4.6348 -4.6336 -4.6336 -2.3207 -2.3207 -2.3133 -2.3133 -2.1167 -2.1167 -2.1071 -2.1071 -1.4930 -1.4930 -1.4915 -1.4915 -1.3392 -1.3392 -1.3384 -1.3384 -0.7335 -0.7335 -0.7316 -0.7316 -0.4416 -0.4416 -0.4373 -0.4373 0.2883 0.2883 0.2979 0.2979 0.4340 0.4340 0.4420 0.4420 9.5944 9.5944 9.5961 9.5961 10.4597 10.4597 10.4615 10.4615 10.8753 10.8753 10.8804 10.8804 k = 0.3016 0.5224 0.3060 ( 6568 PWs) bands (ev): -18.2658 -18.2658 -18.2634 -18.2634 -17.6870 -17.6870 -17.6823 -17.6823 -16.6498 -16.6498 -16.6474 -16.6474 -16.6383 -16.6383 -16.6332 -16.6332 -7.5833 -7.5833 -7.5774 -7.5774 -6.2902 -6.2902 -6.2826 -6.2826 -4.7190 -4.7190 -4.7173 -4.7173 -4.6380 -4.6380 -4.6368 -4.6368 -2.3155 -2.3155 -2.3081 -2.3081 -2.1140 -2.1140 -2.1045 -2.1045 -1.4937 -1.4937 -1.4922 -1.4922 -1.3410 -1.3410 -1.3403 -1.3403 -0.7667 -0.7667 -0.7657 -0.7657 -0.4043 -0.4043 -0.4009 -0.4009 0.2879 0.2879 0.2965 0.2965 0.4415 0.4415 0.4486 0.4486 9.5653 9.5653 9.5668 9.5668 10.4539 10.4539 10.4554 10.4554 10.8961 10.8961 10.9007 10.9007 k = 0.2937 0.5086 0.3060 ( 6574 PWs) bands (ev): -18.2753 -18.2753 -18.2731 -18.2731 -17.6756 -17.6756 -17.6711 -17.6711 -16.6496 -16.6496 -16.6470 -16.6470 -16.6383 -16.6383 -16.6331 -16.6331 -7.6018 -7.6018 -7.5962 -7.5962 -6.2745 -6.2745 -6.2671 -6.2671 -4.7212 -4.7212 -4.7194 -4.7194 -4.6422 -4.6422 -4.6409 -4.6409 -2.3085 -2.3085 -2.3012 -2.3012 -2.1106 -2.1106 -2.1013 -2.1013 -1.4948 -1.4948 -1.4933 -1.4933 -1.3431 -1.3431 -1.3425 -1.3425 -0.8007 -0.8007 -0.8004 -0.8004 -0.3649 -0.3649 -0.3624 -0.3624 0.2882 0.2882 0.2958 0.2958 0.4500 0.4500 0.4563 0.4563 9.5269 9.5269 9.5283 9.5283 10.4534 10.4534 10.4544 10.4544 10.9166 10.9166 10.9208 10.9208 k = 0.2857 0.4949 0.3060 ( 6582 PWs) bands (ev): -18.2867 -18.2867 -18.2847 -18.2847 -17.6618 -17.6618 -17.6575 -17.6575 -16.6492 -16.6492 -16.6465 -16.6465 -16.6382 -16.6382 -16.6330 -16.6330 -7.6243 -7.6243 -7.6190 -7.6190 -6.2556 -6.2556 -6.2486 -6.2486 -4.7240 -4.7240 -4.7220 -4.7220 -4.6474 -4.6474 -4.6460 -4.6460 -2.2999 -2.2999 -2.2927 -2.2927 -2.1066 -2.1066 -2.0975 -2.0975 -1.4963 -1.4963 -1.4948 -1.4948 -1.3453 -1.3453 -1.3449 -1.3449 -0.8346 -0.8346 -0.8344 -0.8344 -0.3245 -0.3245 -0.3226 -0.3226 0.2895 0.2895 0.2960 0.2960 0.4593 0.4593 0.4648 0.4648 9.4799 9.4799 9.4812 9.4812 10.4587 10.4587 10.4594 10.4594 10.9356 10.9356 10.9393 10.9393 k = 0.2778 0.4811 0.3060 ( 6594 PWs) bands (ev): -18.2999 -18.2999 -18.2980 -18.2980 -17.6458 -17.6458 -17.6418 -17.6418 -16.6488 -16.6488 -16.6460 -16.6460 -16.6382 -16.6382 -16.6329 -16.6329 -7.6503 -7.6503 -7.6454 -7.6454 -6.2339 -6.2339 -6.2273 -6.2273 -4.7274 -4.7274 -4.7254 -4.7254 -4.6535 -4.6535 -4.6520 -4.6520 -2.2896 -2.2896 -2.2825 -2.2825 -2.1020 -2.1020 -2.0931 -2.0931 -1.4985 -1.4985 -1.4970 -1.4970 -1.3476 -1.3476 -1.3474 -1.3474 -0.8677 -0.8677 -0.8671 -0.8671 -0.2835 -0.2835 -0.2823 -0.2823 0.2919 0.2919 0.2973 0.2973 0.4693 0.4693 0.4740 0.4740 9.4255 9.4255 9.4267 9.4267 10.4700 10.4700 10.4704 10.4704 10.9521 10.9521 10.9555 10.9555 k = 0.2698 0.4674 0.3060 ( 6594 PWs) bands (ev): -18.3146 -18.3146 -18.3129 -18.3129 -17.6278 -17.6278 -17.6240 -17.6240 -16.6484 -16.6484 -16.6454 -16.6454 -16.6381 -16.6381 -16.6328 -16.6328 -7.6798 -7.6798 -7.6752 -7.6752 -6.2097 -6.2097 -6.2036 -6.2036 -4.7316 -4.7316 -4.7293 -4.7293 -4.6607 -4.6607 -4.6590 -4.6590 -2.2777 -2.2777 -2.2706 -2.2706 -2.0968 -2.0968 -2.0882 -2.0882 -1.5014 -1.5014 -1.4999 -1.4999 -1.3498 -1.3498 -1.3498 -1.3498 -0.8993 -0.8993 -0.8983 -0.8983 -0.2424 -0.2424 -0.2417 -0.2417 0.2956 0.2956 0.2999 0.2999 0.4798 0.4798 0.4837 0.4837 9.3648 9.3648 9.3658 9.3658 10.4866 10.4866 10.4866 10.4866 10.9659 10.9659 10.9688 10.9688 k = 0.2619 0.4536 0.3060 ( 6606 PWs) bands (ev): -18.3307 -18.3307 -18.3292 -18.3292 -17.6081 -17.6081 -17.6045 -17.6045 -16.6479 -16.6479 -16.6448 -16.6448 -16.6380 -16.6380 -16.6326 -16.6326 -7.7123 -7.7123 -7.7081 -7.7081 -6.1835 -6.1835 -6.1777 -6.1777 -4.7365 -4.7365 -4.7340 -4.7340 -4.6687 -4.6687 -4.6668 -4.6668 -2.2641 -2.2641 -2.2572 -2.2572 -2.0911 -2.0911 -2.0828 -2.0828 -1.5052 -1.5052 -1.5039 -1.5039 -1.3518 -1.3518 -1.3515 -1.3515 -0.9289 -0.9289 -0.9276 -0.9276 -0.2013 -0.2013 -0.2013 -0.2013 0.3006 0.3006 0.3037 0.3037 0.4908 0.4908 0.4939 0.4939 9.2991 9.2991 9.3001 9.3001 10.5074 10.5074 10.5076 10.5076 10.9767 10.9767 10.9793 10.9793 k = 0.2540 0.4399 0.3060 ( 6614 PWs) bands (ev): -18.3478 -18.3478 -18.3465 -18.3465 -17.5867 -17.5867 -17.5833 -17.5833 -16.6474 -16.6474 -16.6442 -16.6442 -16.6379 -16.6379 -16.6324 -16.6324 -7.7476 -7.7476 -7.7437 -7.7437 -6.1554 -6.1554 -6.1500 -6.1500 -4.7422 -4.7422 -4.7395 -4.7395 -4.6776 -4.6776 -4.6755 -4.6755 -2.2491 -2.2491 -2.2423 -2.2423 -2.0848 -2.0848 -2.0768 -2.0768 -1.5103 -1.5103 -1.5091 -1.5091 -1.3533 -1.3533 -1.3527 -1.3527 -0.9564 -0.9564 -0.9549 -0.9549 -0.1612 -0.1612 -0.1607 -0.1607 0.3071 0.3071 0.3090 0.3090 0.5022 0.5022 0.5045 0.5045 9.2296 9.2296 9.2305 9.2305 10.5318 10.5318 10.5322 10.5322 10.9848 10.9848 10.9871 10.9871 k = 0.2460 0.4261 0.3060 ( 6618 PWs) bands (ev): -18.3659 -18.3659 -18.3647 -18.3647 -17.5640 -17.5640 -17.5608 -17.5608 -16.6468 -16.6468 -16.6435 -16.6435 -16.6378 -16.6378 -16.6322 -16.6322 -7.7852 -7.7852 -7.7817 -7.7817 -6.1259 -6.1259 -6.1209 -6.1209 -4.7486 -4.7486 -4.7457 -4.7457 -4.6873 -4.6873 -4.6849 -4.6849 -2.2326 -2.2326 -2.2260 -2.2260 -2.0779 -2.0779 -2.0703 -2.0703 -1.5166 -1.5166 -1.5156 -1.5156 -1.3540 -1.3540 -1.3530 -1.3530 -0.9816 -0.9816 -0.9799 -0.9799 -0.1216 -0.1216 -0.1206 -0.1206 0.3151 0.3151 0.3158 0.3158 0.5141 0.5141 0.5157 0.5157 9.1574 9.1574 9.1581 9.1581 10.5589 10.5589 10.5594 10.5594 10.9903 10.9903 10.9923 10.9923 k = 0.2381 0.4124 0.3060 ( 6626 PWs) bands (ev): -18.3847 -18.3847 -18.3836 -18.3836 -17.5401 -17.5401 -17.5372 -17.5372 -16.6463 -16.6463 -16.6427 -16.6427 -16.6376 -16.6376 -16.6319 -16.6319 -7.8249 -7.8249 -7.8217 -7.8217 -6.0953 -6.0953 -6.0907 -6.0907 -4.7560 -4.7560 -4.7528 -4.7528 -4.6977 -4.6977 -4.6951 -4.6951 -2.2149 -2.2149 -2.2085 -2.2085 -2.0704 -2.0704 -2.0632 -2.0632 -1.5243 -1.5243 -1.5235 -1.5235 -1.3538 -1.3538 -1.3524 -1.3524 -1.0045 -1.0045 -1.0027 -1.0027 -0.0829 -0.0829 -0.0812 -0.0812 0.3240 0.3240 0.3245 0.3245 0.5264 0.5264 0.5274 0.5274 9.0831 9.0831 9.0838 9.0838 10.5880 10.5880 10.5886 10.5887 10.9935 10.9935 10.9954 10.9954 k = 0.2302 0.3986 0.3060 ( 6610 PWs) bands (ev): -18.4040 -18.4040 -18.4030 -18.4030 -17.5152 -17.5152 -17.5125 -17.5125 -16.6457 -16.6457 -16.6420 -16.6420 -16.6373 -16.6373 -16.6316 -16.6316 -7.8663 -7.8663 -7.8634 -7.8634 -6.0639 -6.0639 -6.0596 -6.0596 -4.7642 -4.7642 -4.7607 -4.7607 -4.7088 -4.7088 -4.7059 -4.7059 -2.1961 -2.1961 -2.1899 -2.1899 -2.0623 -2.0623 -2.0555 -2.0555 -1.5335 -1.5335 -1.5328 -1.5328 -1.3525 -1.3525 -1.3508 -1.3508 -1.0252 -1.0252 -1.0232 -1.0232 -0.0450 -0.0450 -0.0427 -0.0427 0.3337 0.3337 0.3355 0.3355 0.5394 0.5394 0.5397 0.5397 9.0077 9.0077 9.0083 9.0083 10.6182 10.6182 10.6190 10.6190 10.9949 10.9949 10.9966 10.9966 k = 0.2222 0.3849 0.3060 ( 6614 PWs) bands (ev): -18.4236 -18.4236 -18.4228 -18.4228 -17.4895 -17.4895 -17.4870 -17.4870 -16.6451 -16.6451 -16.6413 -16.6413 -16.6369 -16.6369 -16.6313 -16.6313 -7.9091 -7.9091 -7.9066 -7.9066 -6.0318 -6.0318 -6.0279 -6.0279 -4.7733 -4.7733 -4.7695 -4.7695 -4.7204 -4.7204 -4.7172 -4.7172 -2.1764 -2.1764 -2.1705 -2.1705 -2.0535 -2.0535 -2.0472 -2.0472 -1.5439 -1.5439 -1.5434 -1.5434 -1.3502 -1.3502 -1.3480 -1.3480 -1.0437 -1.0437 -1.0416 -1.0416 -0.0083 -0.0083 -0.0053 -0.0053 0.3449 0.3449 0.3479 0.3479 0.5527 0.5527 0.5531 0.5531 8.9316 8.9316 8.9321 8.9321 10.6488 10.6488 10.6496 10.6496 10.9948 10.9948 10.9963 10.9963 k = 0.2143 0.3712 0.3060 ( 6606 PWs) bands (ev): -18.4435 -18.4435 -18.4428 -18.4428 -17.4632 -17.4632 -17.4609 -17.4609 -16.6445 -16.6445 -16.6407 -16.6407 -16.6365 -16.6365 -16.6309 -16.6309 -7.9531 -7.9531 -7.9508 -7.9508 -5.9994 -5.9994 -5.9959 -5.9959 -4.7832 -4.7832 -4.7791 -4.7791 -4.7324 -4.7324 -4.7290 -4.7290 -2.1561 -2.1561 -2.1505 -2.1505 -2.0441 -2.0441 -2.0383 -2.0383 -1.5555 -1.5555 -1.5552 -1.5552 -1.3467 -1.3467 -1.3441 -1.3441 -1.0602 -1.0602 -1.0579 -1.0579 0.0273 0.0273 0.0308 0.0308 0.3573 0.3573 0.3615 0.3615 0.5666 0.5666 0.5676 0.5676 8.8553 8.8553 8.8558 8.8558 10.6789 10.6789 10.6798 10.6798 10.9936 10.9936 10.9951 10.9951 k = 0.2063 0.3574 0.3060 ( 6612 PWs) bands (ev): -18.4635 -18.4635 -18.4629 -18.4629 -17.4364 -17.4364 -17.4343 -17.4343 -16.6439 -16.6439 -16.6401 -16.6401 -16.6359 -16.6359 -16.6305 -16.6305 -7.9980 -7.9980 -7.9960 -7.9960 -5.9668 -5.9668 -5.9636 -5.9636 -4.7941 -4.7941 -4.7897 -4.7897 -4.7448 -4.7448 -4.7411 -4.7411 -2.1352 -2.1352 -2.1301 -2.1301 -2.0340 -2.0340 -2.0288 -2.0288 -1.5681 -1.5681 -1.5679 -1.5679 -1.3422 -1.3422 -1.3393 -1.3393 -1.0748 -1.0748 -1.0724 -1.0724 0.0615 0.0615 0.0657 0.0657 0.3709 0.3709 0.3763 0.3763 0.5816 0.5816 0.5831 0.5831 8.7794 8.7794 8.7798 8.7798 10.7075 10.7075 10.7083 10.7083 10.9921 10.9921 10.9937 10.9937 k = 0.1984 0.3437 0.3060 ( 6612 PWs) bands (ev): -18.4834 -18.4834 -18.4829 -18.4829 -17.4093 -17.4093 -17.4074 -17.4074 -16.6432 -16.6432 -16.6396 -16.6396 -16.6352 -16.6352 -16.6300 -16.6300 -8.0435 -8.0435 -8.0417 -8.0417 -5.9343 -5.9343 -5.9313 -5.9313 -4.8057 -4.8057 -4.8012 -4.8012 -4.7574 -4.7574 -4.7535 -4.7535 -2.1141 -2.1141 -2.1095 -2.1095 -2.0231 -2.0231 -2.0186 -2.0186 -1.5813 -1.5813 -1.5813 -1.5813 -1.3367 -1.3367 -1.3335 -1.3335 -1.0876 -1.0876 -1.0852 -1.0852 0.0945 0.0945 0.0992 0.0992 0.3855 0.3855 0.3919 0.3919 0.5978 0.5978 0.5998 0.5998 8.7040 8.7040 8.7044 8.7044 10.7333 10.7333 10.7340 10.7340 10.9912 10.9912 10.9929 10.9929 k = 0.1905 0.3299 0.3060 ( 6610 PWs) bands (ev): -18.5033 -18.5033 -18.5028 -18.5028 -17.3821 -17.3821 -17.3802 -17.3802 -16.6426 -16.6426 -16.6392 -16.6392 -16.6344 -16.6344 -16.6295 -16.6295 -8.0894 -8.0894 -8.0878 -8.0878 -5.9019 -5.9019 -5.8992 -5.8992 -4.8181 -4.8181 -4.8135 -4.8135 -4.7702 -4.7702 -4.7662 -4.7662 -2.0931 -2.0931 -2.0891 -2.0891 -2.0113 -2.0113 -2.0076 -2.0076 -1.5951 -1.5951 -1.5949 -1.5949 -1.3304 -1.3304 -1.3270 -1.3270 -1.0990 -1.0990 -1.0965 -1.0965 0.1261 0.1261 0.1313 0.1313 0.4007 0.4007 0.4080 0.4080 0.6155 0.6155 0.6179 0.6179 8.6296 8.6296 8.6300 8.6300 10.7547 10.7547 10.7553 10.7553 10.9923 10.9923 10.9941 10.9941 k = 0.1825 0.3162 0.3060 ( 6622 PWs) bands (ev): -18.5228 -18.5228 -18.5225 -18.5225 -17.3547 -17.3547 -17.3531 -17.3531 -16.6420 -16.6420 -16.6388 -16.6388 -16.6335 -16.6335 -16.6289 -16.6289 -8.1354 -8.1354 -8.1340 -8.1340 -5.8697 -5.8697 -5.8673 -5.8673 -4.8312 -4.8312 -4.8265 -4.8265 -4.7832 -4.7832 -4.7791 -4.7791 -2.0724 -2.0724 -2.0692 -2.0692 -1.9987 -1.9987 -1.9959 -1.9959 -1.6090 -1.6090 -1.6088 -1.6088 -1.3235 -1.3235 -1.3198 -1.3198 -1.1091 -1.1091 -1.1065 -1.1065 0.1566 0.1566 0.1621 0.1621 0.4161 0.4161 0.4241 0.4241 0.6349 0.6349 0.6375 0.6375 8.5565 8.5565 8.5568 8.5568 10.7701 10.7701 10.7704 10.7704 10.9967 10.9967 10.9988 10.9988 k = 0.1746 0.3024 0.3060 ( 6626 PWs) bands (ev): -18.5421 -18.5421 -18.5418 -18.5418 -17.3275 -17.3275 -17.3260 -17.3260 -16.6414 -16.6414 -16.6384 -16.6384 -16.6326 -16.6326 -16.6283 -16.6283 -8.1813 -8.1813 -8.1801 -8.1801 -5.8380 -5.8380 -5.8358 -5.8358 -4.8448 -4.8448 -4.8402 -4.8402 -4.7963 -4.7963 -4.7923 -4.7923 -2.0523 -2.0523 -2.0499 -2.0499 -1.9851 -1.9851 -1.9833 -1.9833 -1.6230 -1.6230 -1.6227 -1.6227 -1.3159 -1.3159 -1.3120 -1.3120 -1.1180 -1.1180 -1.1154 -1.1154 0.1859 0.1859 0.1918 0.1918 0.4315 0.4315 0.4399 0.4399 0.6561 0.6561 0.6588 0.6588 8.4847 8.4847 8.4850 8.4850 10.7779 10.7779 10.7779 10.7779 11.0057 11.0057 11.0081 11.0081 k = 0.1667 0.2887 0.3060 ( 6630 PWs) bands (ev): -18.5610 -18.5610 -18.5607 -18.5607 -17.3005 -17.3005 -17.2991 -17.2991 -16.6407 -16.6407 -16.6380 -16.6380 -16.6316 -16.6316 -16.6277 -16.6277 -8.2269 -8.2269 -8.2259 -8.2259 -5.8067 -5.8067 -5.8047 -5.8047 -4.8588 -4.8588 -4.8543 -4.8543 -4.8095 -4.8095 -4.8056 -4.8056 -2.0330 -2.0330 -2.0316 -2.0316 -1.9706 -1.9706 -1.9698 -1.9698 -1.6368 -1.6368 -1.6364 -1.6364 -1.3079 -1.3079 -1.3039 -1.3039 -1.1260 -1.1260 -1.1233 -1.1233 0.2142 0.2142 0.2203 0.2203 0.4465 0.4465 0.4551 0.4551 0.6791 0.6791 0.6818 0.6818 8.4147 8.4147 8.4149 8.4149 10.7775 10.7775 10.7776 10.7776 11.0197 11.0197 11.0224 11.0224 k = 0.1587 0.2749 0.3060 ( 6632 PWs) bands (ev): -18.5794 -18.5794 -18.5791 -18.5791 -17.2738 -17.2738 -17.2726 -17.2726 -16.6401 -16.6401 -16.6376 -16.6376 -16.6306 -16.6306 -16.6270 -16.6270 -8.2720 -8.2720 -8.2711 -8.2711 -5.7759 -5.7759 -5.7742 -5.7742 -4.8731 -4.8731 -4.8688 -4.8688 -4.8229 -4.8229 -4.8192 -4.8192 -2.0147 -2.0147 -2.0142 -2.0142 -1.9555 -1.9555 -1.9554 -1.9554 -1.6503 -1.6503 -1.6498 -1.6498 -1.2995 -1.2995 -1.2954 -1.2954 -1.1330 -1.1330 -1.1303 -1.1303 0.2417 0.2417 0.2478 0.2478 0.4607 0.4607 0.4693 0.4693 0.7039 0.7039 0.7065 0.7065 8.3465 8.3465 8.3467 8.3467 10.7697 10.7697 10.7699 10.7699 11.0380 11.0380 11.0409 11.0409 k = 0.1508 0.2612 0.3060 ( 6640 PWs) bands (ev): -18.5972 -18.5972 -18.5970 -18.5970 -17.2476 -17.2476 -17.2465 -17.2465 -16.6394 -16.6394 -16.6372 -16.6372 -16.6296 -16.6296 -16.6264 -16.6264 -8.3163 -8.3163 -8.3155 -8.3155 -5.7458 -5.7458 -5.7442 -5.7442 -4.8876 -4.8876 -4.8834 -4.8834 -4.8365 -4.8365 -4.8329 -4.8329 -1.9978 -1.9978 -1.9974 -1.9974 -1.9405 -1.9405 -1.9396 -1.9396 -1.6634 -1.6634 -1.6628 -1.6628 -1.2910 -1.2910 -1.2868 -1.2868 -1.1394 -1.1394 -1.1366 -1.1366 0.2684 0.2684 0.2745 0.2745 0.4742 0.4742 0.4825 0.4825 0.7304 0.7304 0.7328 0.7328 8.2804 8.2804 8.2806 8.2806 10.7559 10.7559 10.7562 10.7562 11.0594 11.0594 11.0623 11.0623 k = 0.1429 0.2474 0.3060 ( 6636 PWs) bands (ev): -18.6145 -18.6145 -18.6143 -18.6143 -17.2219 -17.2219 -17.2210 -17.2210 -16.6388 -16.6388 -16.6368 -16.6368 -16.6286 -16.6286 -16.6257 -16.6257 -8.3597 -8.3597 -8.3591 -8.3591 -5.7163 -5.7163 -5.7149 -5.7149 -4.9020 -4.9020 -4.8981 -4.8981 -4.8502 -4.8502 -4.8469 -4.8469 -1.9822 -1.9822 -1.9812 -1.9812 -1.9250 -1.9250 -1.9235 -1.9235 -1.6759 -1.6759 -1.6753 -1.6753 -1.2823 -1.2823 -1.2781 -1.2781 -1.1451 -1.1451 -1.1423 -1.1423 0.2944 0.2944 0.3005 0.3005 0.4866 0.4866 0.4946 0.4946 0.7582 0.7582 0.7604 0.7604 8.2165 8.2165 8.2167 8.2167 10.7374 10.7374 10.7377 10.7377 11.0825 11.0825 11.0855 11.0855 k = 0.1349 0.2337 0.3060 ( 6646 PWs) bands (ev): -18.6311 -18.6311 -18.6309 -18.6309 -17.1970 -17.1970 -17.1961 -17.1961 -16.6381 -16.6381 -16.6363 -16.6363 -16.6275 -16.6275 -16.6249 -16.6249 -8.4020 -8.4020 -8.4015 -8.4015 -5.6875 -5.6875 -5.6862 -5.6862 -4.9164 -4.9164 -4.9127 -4.9127 -4.8642 -4.8642 -4.8610 -4.8610 -1.9673 -1.9673 -1.9659 -1.9659 -1.9094 -1.9094 -1.9075 -1.9075 -1.6879 -1.6879 -1.6872 -1.6872 -1.2737 -1.2737 -1.2696 -1.2696 -1.1503 -1.1503 -1.1475 -1.1475 0.3199 0.3199 0.3258 0.3258 0.4980 0.4980 0.5056 0.5056 0.7871 0.7871 0.7890 0.7890 8.1550 8.1550 8.1551 8.1551 10.7153 10.7153 10.7156 10.7156 11.1065 11.1065 11.1095 11.1095 k = 0.1270 0.2199 0.3060 ( 6640 PWs) bands (ev): -18.6469 -18.6469 -18.6468 -18.6468 -17.1729 -17.1729 -17.1721 -17.1721 -16.6374 -16.6374 -16.6358 -16.6358 -16.6265 -16.6265 -16.6242 -16.6242 -8.4430 -8.4430 -8.4425 -8.4425 -5.6594 -5.6594 -5.6583 -5.6583 -4.9305 -4.9305 -4.9270 -4.9270 -4.8783 -4.8783 -4.8753 -4.8753 -1.9529 -1.9529 -1.9513 -1.9513 -1.8939 -1.8939 -1.8919 -1.8919 -1.6992 -1.6992 -1.6985 -1.6985 -1.2652 -1.2652 -1.2611 -1.2611 -1.1550 -1.1550 -1.1521 -1.1521 0.3447 0.3447 0.3504 0.3504 0.5085 0.5085 0.5156 0.5156 0.8167 0.8167 0.8183 0.8183 8.0961 8.0961 8.0962 8.0962 10.6905 10.6905 10.6908 10.6908 11.1308 11.1308 11.1338 11.1338 k = 0.1190 0.2062 0.3060 ( 6644 PWs) bands (ev): -18.6621 -18.6621 -18.6620 -18.6620 -17.1497 -17.1497 -17.1490 -17.1490 -16.6366 -16.6366 -16.6352 -16.6352 -16.6255 -16.6255 -16.6235 -16.6235 -8.4825 -8.4825 -8.4821 -8.4821 -5.6321 -5.6321 -5.6311 -5.6311 -4.9443 -4.9443 -4.9410 -4.9410 -4.8925 -4.8925 -4.8897 -4.8897 -1.9389 -1.9389 -1.9373 -1.9373 -1.8789 -1.8789 -1.8770 -1.8770 -1.7099 -1.7099 -1.7091 -1.7091 -1.2570 -1.2570 -1.2530 -1.2530 -1.1592 -1.1592 -1.1564 -1.1564 0.3688 0.3688 0.3742 0.3742 0.5180 0.5180 0.5246 0.5246 0.8467 0.8467 0.8480 0.8480 8.0398 8.0398 8.0399 8.0399 10.6639 10.6639 10.6642 10.6642 11.1549 11.1549 11.1579 11.1579 k = 0.1111 0.1925 0.3060 ( 6644 PWs) bands (ev): -18.6764 -18.6764 -18.6763 -18.6763 -17.1275 -17.1275 -17.1270 -17.1270 -16.6359 -16.6359 -16.6347 -16.6347 -16.6245 -16.6245 -16.6228 -16.6228 -8.5203 -8.5203 -8.5201 -8.5201 -5.6056 -5.6056 -5.6048 -5.6048 -4.9576 -4.9576 -4.9546 -4.9546 -4.9068 -4.9068 -4.9043 -4.9043 -1.9254 -1.9254 -1.9238 -1.9238 -1.8647 -1.8647 -1.8629 -1.8629 -1.7198 -1.7198 -1.7190 -1.7190 -1.2490 -1.2490 -1.2452 -1.2452 -1.1631 -1.1631 -1.1603 -1.1603 0.3922 0.3922 0.3974 0.3974 0.5266 0.5266 0.5327 0.5327 0.8767 0.8767 0.8777 0.8777 7.9864 7.9864 7.9865 7.9865 10.6361 10.6361 10.6363 10.6363 11.1787 11.1787 11.1816 11.1816 k = 0.1032 0.1787 0.3060 ( 6640 PWs) bands (ev): -18.6899 -18.6899 -18.6898 -18.6898 -17.1065 -17.1065 -17.1060 -17.1060 -16.6351 -16.6351 -16.6341 -16.6341 -16.6235 -16.6235 -16.6220 -16.6220 -8.5564 -8.5564 -8.5561 -8.5561 -5.5800 -5.5800 -5.5793 -5.5793 -4.9704 -4.9704 -4.9676 -4.9676 -4.9212 -4.9212 -4.9188 -4.9188 -1.9122 -1.9122 -1.9107 -1.9107 -1.8514 -1.8514 -1.8499 -1.8499 -1.7290 -1.7290 -1.7281 -1.7281 -1.2415 -1.2415 -1.2378 -1.2378 -1.1665 -1.1665 -1.1638 -1.1638 0.4149 0.4149 0.4197 0.4197 0.5344 0.5344 0.5399 0.5399 0.9063 0.9063 0.9071 0.9071 7.9360 7.9360 7.9361 7.9361 10.6076 10.6076 10.6078 10.6078 11.2020 11.2020 11.2048 11.2048 k = 0.0952 0.1650 0.3060 ( 6638 PWs) bands (ev): -18.7025 -18.7025 -18.7025 -18.7025 -17.0866 -17.0866 -17.0862 -17.0862 -16.6344 -16.6344 -16.6335 -16.6335 -16.6225 -16.6225 -16.6213 -16.6213 -8.5904 -8.5904 -8.5902 -8.5902 -5.5553 -5.5553 -5.5547 -5.5547 -4.9825 -4.9825 -4.9800 -4.9800 -4.9356 -4.9356 -4.9334 -4.9334 -1.8993 -1.8993 -1.8980 -1.8980 -1.8391 -1.8391 -1.8380 -1.8380 -1.7376 -1.7376 -1.7366 -1.7366 -1.2344 -1.2344 -1.2309 -1.2309 -1.1696 -1.1696 -1.1670 -1.1670 0.4366 0.4366 0.4411 0.4411 0.5415 0.5415 0.5465 0.5465 0.9352 0.9352 0.9358 0.9358 7.8887 7.8887 7.8887 7.8887 10.5791 10.5791 10.5792 10.5792 11.2248 11.2248 11.2275 11.2275 k = 0.0873 0.1512 0.3060 ( 6636 PWs) bands (ev): -18.7143 -18.7143 -18.7142 -18.7142 -17.0681 -17.0681 -17.0678 -17.0678 -16.6336 -16.6336 -16.6329 -16.6329 -16.6216 -16.6216 -16.6206 -16.6206 -8.6223 -8.6223 -8.6222 -8.6222 -5.5316 -5.5316 -5.5311 -5.5311 -4.9940 -4.9940 -4.9917 -4.9917 -4.9499 -4.9499 -4.9479 -4.9479 -1.8868 -1.8868 -1.8856 -1.8856 -1.8281 -1.8281 -1.8274 -1.8274 -1.7453 -1.7453 -1.7443 -1.7443 -1.2279 -1.2279 -1.2247 -1.2247 -1.1724 -1.1724 -1.1698 -1.1698 0.4572 0.4572 0.4614 0.4614 0.5478 0.5478 0.5524 0.5524 0.9632 0.9632 0.9637 0.9637 7.8446 7.8446 7.8447 7.8447 10.5509 10.5509 10.5510 10.5510 11.2470 11.2470 11.2496 11.2496 k = 0.0794 0.1375 0.3060 ( 6632 PWs) bands (ev): -18.7251 -18.7251 -18.7250 -18.7250 -17.0509 -17.0509 -17.0507 -17.0507 -16.6328 -16.6328 -16.6323 -16.6323 -16.6207 -16.6207 -16.6198 -16.6198 -8.6520 -8.6520 -8.6519 -8.6519 -5.5089 -5.5089 -5.5085 -5.5085 -5.0047 -5.0047 -5.0026 -5.0026 -4.9640 -4.9640 -4.9622 -4.9622 -1.8747 -1.8747 -1.8738 -1.8738 -1.8183 -1.8183 -1.8180 -1.8180 -1.7523 -1.7523 -1.7512 -1.7512 -1.2220 -1.2220 -1.2190 -1.2190 -1.1747 -1.1747 -1.1724 -1.1724 0.4767 0.4767 0.4804 0.4804 0.5536 0.5536 0.5576 0.5576 0.9899 0.9899 0.9903 0.9903 7.8039 7.8039 7.8039 7.8039 10.5236 10.5236 10.5237 10.5237 11.2686 11.2686 11.2711 11.2711 k = 0.0714 0.1237 0.3060 ( 6638 PWs) bands (ev): -18.7349 -18.7349 -18.7349 -18.7349 -17.0352 -17.0352 -17.0351 -17.0351 -16.6321 -16.6321 -16.6316 -16.6316 -16.6198 -16.6198 -16.6192 -16.6192 -8.6793 -8.6793 -8.6792 -8.6792 -5.4873 -5.4873 -5.4870 -5.4870 -5.0146 -5.0146 -5.0128 -5.0128 -4.9778 -4.9778 -4.9761 -4.9761 -1.8630 -1.8630 -1.8623 -1.8623 -1.8101 -1.8101 -1.8099 -1.8099 -1.7585 -1.7585 -1.7573 -1.7573 -1.2167 -1.2167 -1.2141 -1.2141 -1.1767 -1.1767 -1.1745 -1.1745 0.4948 0.4948 0.4982 0.4982 0.5587 0.5587 0.5623 0.5623 1.0151 1.0151 1.0153 1.0153 7.7667 7.7667 7.7667 7.7667 10.4976 10.4976 10.4977 10.4977 11.2897 11.2897 11.2920 11.2920 k = 0.0635 0.1100 0.3060 ( 6652 PWs) bands (ev): -18.7438 -18.7438 -18.7438 -18.7438 -17.0210 -17.0210 -17.0209 -17.0209 -16.6314 -16.6314 -16.6310 -16.6310 -16.6189 -16.6189 -16.6185 -16.6185 -8.7040 -8.7040 -8.7039 -8.7039 -5.4670 -5.4670 -5.4668 -5.4668 -5.0237 -5.0237 -5.0221 -5.0221 -4.9911 -4.9911 -4.9897 -4.9897 -1.8519 -1.8519 -1.8514 -1.8514 -1.8036 -1.8036 -1.8030 -1.8030 -1.7640 -1.7640 -1.7626 -1.7626 -1.2121 -1.2121 -1.2099 -1.2099 -1.1782 -1.1782 -1.1764 -1.1764 0.5114 0.5114 0.5144 0.5144 0.5633 0.5633 0.5664 0.5664 1.0384 1.0384 1.0385 1.0385 7.7330 7.7330 7.7330 7.7330 10.4733 10.4733 10.4733 10.4733 11.3102 11.3102 11.3123 11.3123 k = 0.0556 0.0962 0.3060 ( 6644 PWs) bands (ev): -18.7517 -18.7517 -18.7516 -18.7516 -17.0084 -17.0084 -17.0083 -17.0083 -16.6307 -16.6307 -16.6305 -16.6305 -16.6181 -16.6181 -16.6178 -16.6178 -8.7261 -8.7261 -8.7260 -8.7260 -5.4482 -5.4482 -5.4480 -5.4480 -5.0319 -5.0319 -5.0305 -5.0305 -5.0038 -5.0038 -5.0026 -5.0026 -1.8414 -1.8414 -1.8411 -1.8411 -1.7985 -1.7985 -1.7975 -1.7975 -1.7686 -1.7686 -1.7671 -1.7671 -1.2083 -1.2083 -1.2065 -1.2065 -1.1793 -1.1793 -1.1778 -1.1778 0.5264 0.5264 0.5289 0.5289 0.5674 0.5674 0.5700 0.5700 1.0596 1.0596 1.0597 1.0597 7.7031 7.7031 7.7031 7.7031 10.4510 10.4510 10.4510 10.4510 11.3300 11.3300 11.3320 11.3320 k = 0.0476 0.0825 0.3060 ( 6652 PWs) bands (ev): -18.7585 -18.7585 -18.7585 -18.7585 -16.9974 -16.9974 -16.9974 -16.9974 -16.6301 -16.6301 -16.6300 -16.6300 -16.6174 -16.6174 -16.6172 -16.6172 -8.7454 -8.7454 -8.7454 -8.7454 -5.4309 -5.4309 -5.4308 -5.4308 -5.0391 -5.0391 -5.0380 -5.0380 -5.0156 -5.0156 -5.0146 -5.0146 -1.8315 -1.8315 -1.8314 -1.8314 -1.7949 -1.7949 -1.7936 -1.7936 -1.7723 -1.7723 -1.7708 -1.7708 -1.2053 -1.2053 -1.2040 -1.2040 -1.1799 -1.1799 -1.1787 -1.1787 0.5395 0.5395 0.5416 0.5416 0.5711 0.5711 0.5732 0.5732 1.0786 1.0786 1.0786 1.0786 7.6769 7.6769 7.6769 7.6769 10.4310 10.4310 10.4310 10.4310 11.3489 11.3489 11.3507 11.3507 k = 0.0397 0.0687 0.3060 ( 6664 PWs) bands (ev): -18.7643 -18.7643 -18.7643 -18.7643 -16.9881 -16.9881 -16.9880 -16.9880 -16.6296 -16.6296 -16.6295 -16.6295 -16.6168 -16.6168 -16.6167 -16.6167 -8.7620 -8.7620 -8.7620 -8.7620 -5.4155 -5.4155 -5.4154 -5.4154 -5.0455 -5.0455 -5.0446 -5.0446 -5.0262 -5.0262 -5.0254 -5.0254 -1.8224 -1.8224 -1.8224 -1.8224 -1.7928 -1.7928 -1.7914 -1.7914 -1.7751 -1.7751 -1.7737 -1.7737 -1.2030 -1.2030 -1.2022 -1.2022 -1.1800 -1.1800 -1.1792 -1.1792 0.5507 0.5507 0.5523 0.5523 0.5744 0.5744 0.5761 0.5761 1.0950 1.0950 1.0950 1.0950 7.6546 7.6546 7.6546 7.6546 10.4136 10.4136 10.4136 10.4136 11.3667 11.3667 11.3682 11.3682 k = 0.0317 0.0550 0.3060 ( 6668 PWs) bands (ev): -18.7691 -18.7691 -18.7691 -18.7691 -16.9804 -16.9804 -16.9803 -16.9803 -16.6292 -16.6292 -16.6291 -16.6291 -16.6162 -16.6162 -16.6162 -16.6162 -8.7756 -8.7756 -8.7756 -8.7756 -5.4022 -5.4022 -5.4022 -5.4022 -5.0510 -5.0510 -5.0505 -5.0505 -5.0353 -5.0353 -5.0347 -5.0347 -1.8143 -1.8143 -1.8141 -1.8141 -1.7918 -1.7918 -1.7905 -1.7905 -1.7771 -1.7771 -1.7760 -1.7760 -1.2014 -1.2014 -1.2010 -1.2010 -1.1798 -1.1798 -1.1794 -1.1794 0.5597 0.5597 0.5609 0.5609 0.5775 0.5775 0.5786 0.5786 1.1087 1.1087 1.1087 1.1087 7.6362 7.6362 7.6362 7.6362 10.3990 10.3990 10.3990 10.3990 11.3828 11.3828 11.3840 11.3840 k = 0.0238 0.0412 0.3060 ( 6676 PWs) bands (ev): -18.7729 -18.7729 -18.7729 -18.7729 -16.9744 -16.9744 -16.9744 -16.9744 -16.6288 -16.6288 -16.6288 -16.6288 -16.6158 -16.6158 -16.6158 -16.6158 -8.7863 -8.7863 -8.7863 -8.7863 -5.3914 -5.3914 -5.3914 -5.3914 -5.0557 -5.0557 -5.0554 -5.0554 -5.0424 -5.0424 -5.0421 -5.0421 -1.8069 -1.8069 -1.8067 -1.8067 -1.7916 -1.7916 -1.7906 -1.7906 -1.7789 -1.7789 -1.7781 -1.7781 -1.2005 -1.2005 -1.2003 -1.2003 -1.1795 -1.1795 -1.1793 -1.1793 0.5664 0.5664 0.5670 0.5670 0.5804 0.5804 0.5810 0.5810 1.1195 1.1195 1.1195 1.1195 7.6219 7.6219 7.6219 7.6219 10.3875 10.3875 10.3875 10.3875 11.3963 11.3963 11.3972 11.3972 k = 0.0159 0.0275 0.3060 ( 6672 PWs) bands (ev): -18.7755 -18.7755 -18.7755 -18.7755 -16.9701 -16.9701 -16.9701 -16.9701 -16.6286 -16.6286 -16.6286 -16.6286 -16.6155 -16.6155 -16.6155 -16.6155 -8.7939 -8.7939 -8.7939 -8.7939 -5.3833 -5.3833 -5.3833 -5.3833 -5.0596 -5.0596 -5.0595 -5.0595 -5.0473 -5.0473 -5.0472 -5.0472 -1.8007 -1.8007 -1.8005 -1.8005 -1.7916 -1.7916 -1.7910 -1.7910 -1.7808 -1.7808 -1.7804 -1.7804 -1.1999 -1.1999 -1.1999 -1.1999 -1.1791 -1.1791 -1.1791 -1.1791 0.5708 0.5708 0.5710 0.5710 0.5830 0.5830 0.5832 0.5832 1.1273 1.1273 1.1273 1.1273 7.6116 7.6116 7.6116 7.6116 10.3792 10.3792 10.3792 10.3792 11.4057 11.4057 11.4062 11.4062 k = 0.0079 0.0137 0.3060 ( 6660 PWs) bands (ev): -18.7771 -18.7771 -18.7771 -18.7771 -16.9675 -16.9675 -16.9675 -16.9675 -16.6284 -16.6284 -16.6284 -16.6284 -16.6153 -16.6153 -16.6153 -16.6153 -8.7986 -8.7986 -8.7986 -8.7986 -5.3783 -5.3783 -5.3783 -5.3783 -5.0621 -5.0621 -5.0621 -5.0621 -5.0501 -5.0501 -5.0501 -5.0501 -1.7961 -1.7961 -1.7960 -1.7960 -1.7913 -1.7913 -1.7911 -1.7911 -1.7829 -1.7829 -1.7829 -1.7829 -1.1997 -1.1997 -1.1997 -1.1997 -1.1789 -1.1789 -1.1789 -1.1789 0.5730 0.5730 0.5731 0.5731 0.5849 0.5849 0.5849 0.5849 1.1320 1.1320 1.1320 1.1320 7.6054 7.6054 7.6054 7.6054 10.3741 10.3741 10.3741 10.3741 11.4097 11.4097 11.4098 11.4098 k = 0.0000 0.0000 0.3060 ( 6646 PWs) bands (ev): -18.7777 -18.7777 -18.7777 -18.7777 -16.9666 -16.9666 -16.9666 -16.9666 -16.6284 -16.6284 -16.6284 -16.6284 -16.6152 -16.6152 -16.6152 -16.6152 -8.8001 -8.8001 -8.8001 -8.8001 -5.3767 -5.3767 -5.3767 -5.3767 -5.0631 -5.0631 -5.0631 -5.0631 -5.0511 -5.0511 -5.0511 -5.0511 -1.7945 -1.7945 -1.7945 -1.7945 -1.7905 -1.7905 -1.7905 -1.7905 -1.7843 -1.7843 -1.7843 -1.7843 -1.1996 -1.1996 -1.1996 -1.1996 -1.1788 -1.1788 -1.1788 -1.1788 0.5737 0.5737 0.5737 0.5737 0.5855 0.5855 0.5855 0.5855 1.1337 1.1337 1.1337 1.1337 7.6034 7.6034 7.6034 7.6034 10.3724 10.3724 10.3724 10.3724 11.4102 11.4102 11.4102 11.4103 k = 0.5000 0.2887 0.3060 ( 6604 PWs) bands (ev): -18.3547 -18.3547 -18.3547 -18.3547 -17.5780 -17.5780 -17.5780 -17.5780 -16.6431 -16.6431 -16.6431 -16.6431 -16.6343 -16.6343 -16.6343 -16.6343 -7.7853 -7.7853 -7.7853 -7.7853 -6.0991 -6.0991 -6.0991 -6.0991 -4.7325 -4.7325 -4.7325 -4.7325 -4.6977 -4.6977 -4.6977 -4.6977 -2.2800 -2.2800 -2.2800 -2.2800 -1.8673 -1.8673 -1.8673 -1.8673 -1.6708 -1.6708 -1.6708 -1.6708 -1.4140 -1.4140 -1.4140 -1.4140 -1.0212 -1.0212 -1.0212 -1.0212 -0.1024 -0.1024 -0.1024 -0.1024 0.1723 0.1723 0.1723 0.1723 0.7192 0.7192 0.7192 0.7192 9.3775 9.3775 9.3775 9.3775 9.9806 9.9806 9.9806 9.9806 11.0498 11.0498 11.0498 11.0498 k = 0.5000 0.2887 0.2907 ( 6608 PWs) bands (ev): -18.3685 -18.3685 -18.3403 -18.3403 -17.5955 -17.5955 -17.5610 -17.5610 -16.6437 -16.6437 -16.6424 -16.6424 -16.6353 -16.6353 -16.6333 -16.6333 -7.8160 -7.8160 -7.7533 -7.7533 -6.1316 -6.1316 -6.0680 -6.0680 -4.7460 -4.7460 -4.7191 -4.7191 -4.7129 -4.7129 -4.6822 -4.6822 -2.2879 -2.2879 -2.2724 -2.2724 -1.8838 -1.8838 -1.8540 -1.8540 -1.6726 -1.6726 -1.6691 -1.6691 -1.4225 -1.4225 -1.3999 -1.3999 -1.0354 -1.0354 -1.0060 -1.0060 -0.1113 -0.1113 -0.0946 -0.0946 0.1590 0.1590 0.1835 0.1835 0.6882 0.6882 0.7504 0.7504 9.3514 9.3514 9.4042 9.4042 9.9309 9.9309 10.0319 10.0319 11.0420 11.0420 11.0593 11.0593 k = 0.5000 0.2887 0.2754 ( 6596 PWs) bands (ev): -18.3817 -18.3817 -18.3253 -18.3253 -17.6135 -17.6135 -17.5445 -17.5445 -16.6444 -16.6444 -16.6419 -16.6419 -16.6363 -16.6363 -16.6323 -16.6323 -7.8452 -7.8452 -7.7200 -7.7200 -6.1656 -6.1656 -6.0384 -6.0384 -4.7593 -4.7593 -4.7283 -4.7283 -4.7052 -4.7052 -4.6667 -4.6667 -2.2962 -2.2962 -2.2652 -2.2652 -1.9026 -1.9026 -1.8445 -1.8445 -1.6745 -1.6745 -1.6675 -1.6675 -1.4248 -1.4248 -1.3810 -1.3810 -1.0486 -1.0486 -0.9898 -0.9898 -0.1213 -0.1213 -0.0877 -0.0877 0.1433 0.1433 0.1923 0.1923 0.6576 0.6576 0.7815 0.7815 9.3260 9.3260 9.4315 9.4315 9.8830 9.8830 10.0845 10.0845 11.0359 11.0359 11.0703 11.0703 k = 0.5000 0.2887 0.2601 ( 6600 PWs) bands (ev): -18.3943 -18.3943 -18.3098 -18.3098 -17.6320 -17.6320 -17.5287 -17.5287 -16.6452 -16.6452 -16.6414 -16.6414 -16.6372 -16.6372 -16.6313 -16.6313 -7.8730 -7.8730 -7.6854 -7.6854 -6.2009 -6.2009 -6.0104 -6.0104 -4.7725 -4.7725 -4.7432 -4.7432 -4.6917 -4.6917 -4.6514 -4.6514 -2.3048 -2.3048 -2.2582 -2.2582 -1.9227 -1.9227 -1.8394 -1.8394 -1.6765 -1.6765 -1.6661 -1.6661 -1.4207 -1.4207 -1.3581 -1.3581 -1.0610 -1.0610 -0.9726 -0.9726 -0.1326 -0.1326 -0.0817 -0.0817 0.1255 0.1255 0.1989 0.1989 0.6277 0.6277 0.8123 0.8123 9.3016 9.3016 9.4590 9.4590 9.8370 9.8370 10.1384 10.1384 11.0317 11.0317 11.0825 11.0825 k = 0.5000 0.2887 0.2448 ( 6610 PWs) bands (ev): -18.4063 -18.4063 -18.2938 -18.2938 -17.6509 -17.6509 -17.5135 -17.5135 -16.6460 -16.6460 -16.6412 -16.6412 -16.6380 -16.6380 -16.6304 -16.6304 -7.8993 -7.8993 -7.6495 -7.6495 -6.2376 -6.2376 -5.9839 -5.9839 -4.7853 -4.7853 -4.7577 -4.7577 -4.6784 -4.6784 -4.6362 -4.6362 -2.3137 -2.3137 -2.2516 -2.2516 -1.9434 -1.9434 -1.8386 -1.8386 -1.6785 -1.6785 -1.6648 -1.6648 -1.4103 -1.4103 -1.3320 -1.3320 -1.0724 -1.0724 -0.9543 -0.9543 -0.1453 -0.1453 -0.0764 -0.0764 0.1055 0.1055 0.2033 0.2033 0.5986 0.5986 0.8425 0.8425 9.2781 9.2781 9.4865 9.4865 9.7931 9.7931 10.1933 10.1933 11.0295 11.0295 11.0956 11.0956 k = 0.5000 0.2887 0.2295 ( 6614 PWs) bands (ev): -18.4176 -18.4176 -18.2772 -18.2772 -17.6702 -17.6702 -17.4990 -17.4990 -16.6467 -16.6467 -16.6414 -16.6414 -16.6384 -16.6384 -16.6296 -16.6296 -7.9242 -7.9242 -7.6124 -7.6124 -6.2755 -6.2755 -5.9591 -5.9591 -4.7977 -4.7977 -4.7717 -4.7717 -4.6653 -4.6653 -4.6213 -4.6213 -2.3229 -2.3229 -2.2452 -2.2452 -1.9642 -1.9642 -1.8416 -1.8416 -1.6806 -1.6806 -1.6637 -1.6637 -1.3945 -1.3945 -1.3030 -1.3030 -1.0828 -1.0828 -0.9351 -0.9351 -0.1595 -0.1595 -0.0718 -0.0718 0.0835 0.0835 0.2056 0.2056 0.5707 0.5707 0.8720 0.8720 9.2556 9.2556 9.5136 9.5136 9.7518 9.7518 10.2491 10.2491 11.0293 11.0293 11.1093 11.1093 k = 0.5000 0.2887 0.2142 ( 6626 PWs) bands (ev): -18.4283 -18.4283 -18.2602 -18.2602 -17.6898 -17.6898 -17.4851 -17.4851 -16.6475 -16.6475 -16.6420 -16.6420 -16.6384 -16.6384 -16.6288 -16.6288 -7.9475 -7.9475 -7.5742 -7.5742 -6.3145 -6.3145 -5.9358 -5.9358 -4.8097 -4.8097 -4.7851 -4.7851 -4.6526 -4.6526 -4.6068 -4.6068 -2.3323 -2.3323 -2.2392 -2.2392 -1.9843 -1.9843 -1.8477 -1.8477 -1.6827 -1.6827 -1.6627 -1.6627 -1.3742 -1.3742 -1.2720 -1.2720 -1.0925 -1.0925 -0.9149 -0.9149 -0.1752 -0.1752 -0.0678 -0.0678 0.0596 0.0596 0.2059 0.2059 0.5442 0.5442 0.9006 0.9006 9.2344 9.2344 9.5395 9.5395 9.7138 9.7138 10.3056 10.3056 11.0309 11.0309 11.1230 11.1230 k = 0.5000 0.2887 0.1989 ( 6618 PWs) bands (ev): -18.4383 -18.4383 -18.2427 -18.2427 -17.7097 -17.7097 -17.4721 -17.4721 -16.6483 -16.6483 -16.6427 -16.6427 -16.6382 -16.6382 -16.6280 -16.6280 -7.9693 -7.9693 -7.5350 -7.5350 -6.3547 -6.3547 -5.9142 -5.9142 -4.8211 -4.8211 -4.7979 -4.7979 -4.6403 -4.6403 -4.5928 -4.5928 -2.3420 -2.3420 -2.2335 -2.2335 -2.0036 -2.0036 -1.8560 -1.8560 -1.6848 -1.6848 -1.6618 -1.6618 -1.3505 -1.3505 -1.2391 -1.2391 -1.1012 -1.1012 -0.8937 -0.8937 -0.1926 -0.1926 -0.0643 -0.0643 0.0341 0.0341 0.2044 0.2044 0.5192 0.5192 0.9280 0.9280 9.2143 9.2143 9.5625 9.5625 9.6809 9.6809 10.3626 10.3626 11.0345 11.0345 11.1365 11.1365 k = 0.5000 0.2887 0.1836 ( 6608 PWs) bands (ev): -18.4476 -18.4476 -18.2248 -18.2248 -17.7300 -17.7300 -17.4598 -17.4598 -16.6491 -16.6491 -16.6436 -16.6436 -16.6380 -16.6380 -16.6273 -16.6273 -7.9895 -7.9895 -7.4947 -7.4947 -6.3959 -6.3959 -5.8943 -5.8943 -4.8320 -4.8320 -4.8100 -4.8100 -4.6285 -4.6285 -4.5794 -4.5794 -2.3517 -2.3517 -2.2281 -2.2281 -2.0216 -2.0216 -1.8657 -1.8657 -1.6868 -1.6868 -1.6610 -1.6610 -1.3244 -1.3244 -1.2050 -1.2050 -1.1092 -1.1092 -0.8715 -0.8715 -0.2116 -0.2116 -0.0613 -0.0613 0.0070 0.0070 0.2012 0.2012 0.4959 0.4959 0.9541 0.9541 9.1955 9.1955 9.5766 9.5766 9.6586 9.6586 10.4200 10.4200 11.0398 11.0398 11.1490 11.1490 k = 0.5000 0.2887 0.1683 ( 6612 PWs) bands (ev): -18.4562 -18.4562 -18.2064 -18.2064 -17.7505 -17.7505 -17.4483 -17.4483 -16.6499 -16.6499 -16.6444 -16.6444 -16.6377 -16.6377 -16.6267 -16.6267 -8.0081 -8.0081 -7.4534 -7.4534 -6.4380 -6.4380 -5.8760 -5.8760 -4.8422 -4.8422 -4.8213 -4.8213 -4.6173 -4.6173 -4.5667 -4.5667 -2.3615 -2.3615 -2.2230 -2.2230 -2.0383 -2.0383 -1.8762 -1.8762 -1.6888 -1.6888 -1.6604 -1.6604 -1.2969 -1.2969 -1.1700 -1.1700 -1.1163 -1.1163 -0.8483 -0.8483 -0.2323 -0.2323 -0.0588 -0.0588 -0.0214 -0.0214 0.1966 0.1966 0.4745 0.4745 0.9788 0.9788 9.1780 9.1780 9.5715 9.5715 9.6574 9.6574 10.4775 10.4775 11.0467 11.0467 11.1601 11.1601 k = 0.5000 0.2887 0.1530 ( 6596 PWs) bands (ev): -18.4640 -18.4640 -18.1877 -18.1877 -17.7712 -17.7712 -17.4377 -17.4377 -16.6507 -16.6507 -16.6452 -16.6452 -16.6375 -16.6375 -16.6261 -16.6261 -8.0252 -8.0252 -7.4113 -7.4113 -6.4810 -6.4810 -5.8593 -5.8593 -4.8517 -4.8517 -4.8317 -4.8317 -4.6067 -4.6067 -4.5548 -4.5548 -2.3711 -2.3711 -2.2182 -2.2182 -2.0535 -2.0535 -1.8870 -1.8870 -1.6908 -1.6908 -1.6599 -1.6599 -1.2689 -1.2689 -1.1348 -1.1348 -1.1223 -1.1223 -0.8242 -0.8242 -0.2546 -0.2546 -0.0570 -0.0570 -0.0502 -0.0502 0.1908 0.1908 0.4550 0.4550 1.0018 1.0018 9.1619 9.1619 9.5513 9.5513 9.6729 9.6729 10.5348 10.5348 11.0552 11.0552 11.1692 11.1692 k = 0.5000 0.2887 0.1377 ( 6600 PWs) bands (ev): -18.4712 -18.4712 -18.1686 -18.1686 -17.7921 -17.7921 -17.4279 -17.4279 -16.6515 -16.6515 -16.6460 -16.6460 -16.6373 -16.6373 -16.6256 -16.6256 -8.0407 -8.0407 -7.3684 -7.3684 -6.5248 -6.5248 -5.8443 -5.8443 -4.8605 -4.8605 -4.8413 -4.8413 -4.5969 -4.5969 -4.5437 -4.5437 -2.3805 -2.3805 -2.2137 -2.2137 -2.0671 -2.0671 -1.8977 -1.8977 -1.6926 -1.6926 -1.6594 -1.6594 -1.2412 -1.2412 -1.1288 -1.1288 -1.0982 -1.0982 -0.7991 -0.7991 -0.2784 -0.2784 -0.0809 -0.0809 -0.0543 -0.0543 0.1841 0.1841 0.4375 0.4375 1.0231 1.0231 9.1472 9.1472 9.5274 9.5274 9.6935 9.6935 10.5918 10.5918 11.0649 11.0649 11.1756 11.1756 k = 0.5000 0.2887 0.1224 ( 6598 PWs) bands (ev): -18.4776 -18.4776 -18.1492 -18.1492 -17.8132 -17.8132 -17.4191 -17.4191 -16.6522 -16.6522 -16.6467 -16.6467 -16.6372 -16.6372 -16.6251 -16.6251 -8.0545 -8.0545 -7.3248 -7.3248 -6.5691 -6.5691 -5.8310 -5.8310 -4.8685 -4.8685 -4.8499 -4.8499 -4.5880 -4.5880 -4.5336 -4.5336 -2.3894 -2.3894 -2.2096 -2.2096 -2.0792 -2.0792 -1.9079 -1.9079 -1.6943 -1.6943 -1.6591 -1.6591 -1.2143 -1.2143 -1.1336 -1.1336 -1.0630 -1.0630 -0.7733 -0.7733 -0.3037 -0.3037 -0.1111 -0.1111 -0.0528 -0.0528 0.1768 0.1768 0.4220 0.4220 1.0425 1.0425 9.1340 9.1340 9.5040 9.5040 9.7149 9.7149 10.6481 10.6481 11.0757 11.0757 11.1787 11.1787 k = 0.5000 0.2887 0.1071 ( 6602 PWs) bands (ev): -18.4833 -18.4833 -18.1294 -18.1294 -17.8344 -17.8344 -17.4113 -17.4113 -16.6528 -16.6528 -16.6473 -16.6473 -16.6370 -16.6370 -16.6246 -16.6246 -8.0668 -8.0668 -7.2806 -7.2806 -6.6141 -6.6141 -5.8192 -5.8192 -4.8756 -4.8756 -4.8576 -4.8576 -4.5799 -4.5799 -4.5245 -4.5245 -2.3978 -2.3978 -2.2059 -2.2059 -2.0897 -2.0897 -1.9173 -1.9173 -1.6959 -1.6959 -1.6588 -1.6588 -1.1889 -1.1889 -1.1379 -1.1379 -1.0285 -1.0285 -0.7466 -0.7466 -0.3302 -0.3302 -0.1410 -0.1410 -0.0514 -0.0514 0.1692 0.1692 0.4086 0.4086 1.0599 1.0599 9.1222 9.1222 9.4825 9.4825 9.7355 9.7355 10.7034 10.7034 11.0873 11.0873 11.1780 11.1780 k = 0.5000 0.2887 0.0918 ( 6608 PWs) bands (ev): -18.4883 -18.4883 -18.1094 -18.1094 -17.8558 -17.8558 -17.4044 -17.4044 -16.6534 -16.6534 -16.6478 -16.6478 -16.6369 -16.6369 -16.6243 -16.6243 -8.0774 -8.0774 -7.2360 -7.2360 -6.6593 -6.6593 -5.8091 -5.8091 -4.8819 -4.8819 -4.8644 -4.8644 -4.5728 -4.5728 -4.5164 -4.5164 -2.4054 -2.4054 -2.2026 -2.2026 -2.0986 -2.0986 -1.9259 -1.9259 -1.6973 -1.6973 -1.6586 -1.6586 -1.1657 -1.1657 -1.1415 -1.1415 -0.9955 -0.9955 -0.7192 -0.7192 -0.3578 -0.3578 -0.1700 -0.1700 -0.0503 -0.0503 0.1616 0.1616 0.3970 0.3970 1.0751 1.0751 9.1120 9.1120 9.4635 9.4635 9.7544 9.7544 10.7574 10.7574 11.0993 11.0993 11.1730 11.1730 k = 0.5000 0.2887 0.0765 ( 6618 PWs) bands (ev): -18.4925 -18.4925 -18.0891 -18.0891 -17.8772 -17.8772 -17.3986 -17.3986 -16.6540 -16.6540 -16.6483 -16.6483 -16.6369 -16.6369 -16.6240 -16.6240 -8.0864 -8.0864 -7.1911 -7.1911 -6.7048 -6.7048 -5.8006 -5.8006 -4.8873 -4.8873 -4.8701 -4.8701 -4.5666 -4.5666 -4.5095 -4.5095 -2.4122 -2.4122 -2.1997 -2.1997 -2.1061 -2.1061 -1.9334 -1.9334 -1.6985 -1.6985 -1.6585 -1.6585 -1.1471 -1.1471 -1.1424 -1.1424 -0.9648 -0.9648 -0.6911 -0.6911 -0.3862 -0.3862 -0.1973 -0.1973 -0.0494 -0.0494 0.1545 0.1545 0.3874 0.3874 1.0882 1.0882 9.1032 9.1032 9.4471 9.4471 9.7711 9.7711 10.8097 10.8097 11.1112 11.1112 11.1634 11.1634 k = 0.5000 0.2887 0.0612 ( 6618 PWs) bands (ev): -18.4959 -18.4959 -18.0685 -18.0685 -17.8986 -17.8986 -17.3938 -17.3938 -16.6544 -16.6544 -16.6486 -16.6486 -16.6368 -16.6368 -16.6237 -16.6237 -8.0938 -8.0938 -7.1463 -7.1463 -6.7501 -6.7501 -5.7936 -5.7936 -4.8917 -4.8917 -4.8748 -4.8748 -4.5616 -4.5616 -4.5038 -4.5038 -2.4179 -2.4179 -2.1973 -2.1973 -2.1121 -2.1121 -1.9396 -1.9396 -1.6995 -1.6995 -1.6583 -1.6583 -1.1476 -1.1476 -1.1267 -1.1267 -0.9374 -0.9374 -0.6626 -0.6626 -0.4153 -0.4153 -0.2220 -0.2220 -0.0486 -0.0486 0.1480 0.1480 0.3797 0.3797 1.0990 1.0990 9.0961 9.0961 9.4335 9.4335 9.7854 9.7854 10.8598 10.8598 11.1225 11.1225 11.1491 11.1491 k = 0.5000 0.2887 0.0459 ( 6608 PWs) bands (ev): -18.4986 -18.4986 -18.0478 -18.0478 -17.9200 -17.9200 -17.3900 -17.3900 -16.6548 -16.6548 -16.6489 -16.6489 -16.6368 -16.6368 -16.6235 -16.6235 -8.0995 -8.0995 -7.1021 -7.1021 -6.7947 -6.7947 -5.7883 -5.7883 -4.8951 -4.8951 -4.8784 -4.8784 -4.5576 -4.5576 -4.4993 -4.4993 -2.4224 -2.4224 -2.1954 -2.1954 -2.1167 -2.1167 -1.9446 -1.9446 -1.7003 -1.7003 -1.6583 -1.6583 -1.1494 -1.1494 -1.1126 -1.1126 -0.9142 -0.9142 -0.6337 -0.6337 -0.4446 -0.4446 -0.2430 -0.2430 -0.0481 -0.0481 0.1427 0.1427 0.3737 0.3737 1.1075 1.1075 9.0905 9.0905 9.4229 9.4229 9.7968 9.7968 10.9072 10.9072 11.1280 11.1280 11.1348 11.1348 k = 0.5000 0.2887 0.0306 ( 6596 PWs) bands (ev): -18.5005 -18.5005 -18.0269 -18.0269 -17.9414 -17.9414 -17.3873 -17.3873 -16.6551 -16.6551 -16.6491 -16.6491 -16.6368 -16.6368 -16.6234 -16.6234 -8.1036 -8.1036 -7.0597 -7.0597 -6.8373 -6.8373 -5.7844 -5.7844 -4.8976 -4.8976 -4.8811 -4.8811 -4.5547 -4.5547 -4.4960 -4.4960 -2.4258 -2.4258 -2.1940 -2.1940 -2.1200 -2.1200 -1.9482 -1.9482 -1.7009 -1.7009 -1.6582 -1.6582 -1.1507 -1.1507 -1.1022 -1.1022 -0.8965 -0.8965 -0.6051 -0.6051 -0.4737 -0.4737 -0.2592 -0.2592 -0.0477 -0.0477 0.1386 0.1386 0.3695 0.3695 1.1135 1.1135 9.0865 9.0865 9.4153 9.4153 9.8052 9.8052 10.9509 10.9509 11.1062 11.1062 11.1416 11.1416 k = 0.5000 0.2887 0.0153 ( 6592 PWs) bands (ev): -18.5017 -18.5017 -18.0060 -18.0060 -17.9626 -17.9626 -17.3856 -17.3856 -16.6552 -16.6552 -16.6492 -16.6492 -16.6368 -16.6368 -16.6233 -16.6233 -8.1061 -8.1061 -7.0234 -7.0234 -6.8738 -6.8738 -5.7821 -5.7821 -4.8991 -4.8991 -4.8826 -4.8826 -4.5529 -4.5529 -4.4941 -4.4941 -2.4278 -2.4278 -2.1931 -2.1931 -2.1220 -2.1220 -1.9504 -1.9504 -1.7013 -1.7013 -1.6582 -1.6582 -1.1515 -1.1515 -1.0958 -1.0958 -0.8853 -0.8853 -0.5784 -0.5784 -0.5007 -0.5007 -0.2694 -0.2694 -0.0475 -0.0475 0.1361 0.1361 0.3670 0.3670 1.1172 1.1172 9.0841 9.0841 9.4107 9.4107 9.8103 9.8103 10.9886 10.9886 11.0810 11.0810 11.1469 11.1469 k = 0.5000 0.2887-0.0000 ( 6580 PWs) bands (ev): -18.5021 -18.5021 -17.9886 -17.9886 -17.9801 -17.9801 -17.3851 -17.3851 -16.6553 -16.6553 -16.6493 -16.6493 -16.6368 -16.6368 -16.6232 -16.6232 -8.1069 -8.1069 -7.0063 -7.0063 -6.8910 -6.8910 -5.7813 -5.7813 -4.8996 -4.8996 -4.8832 -4.8832 -4.5524 -4.5524 -4.4934 -4.4934 -2.4285 -2.4285 -2.1928 -2.1928 -2.1226 -2.1226 -1.9511 -1.9511 -1.7014 -1.7014 -1.6582 -1.6582 -1.1518 -1.1518 -1.0937 -1.0937 -0.8815 -0.8815 -0.5635 -0.5635 -0.5157 -0.5157 -0.2730 -0.2730 -0.0474 -0.0474 0.1352 0.1352 0.3661 0.3661 1.1184 1.1184 9.0833 9.0833 9.4092 9.4092 9.8120 9.8120 11.0083 11.0083 11.0654 11.0654 11.1487 11.1487 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -18.2542 -18.2542 -18.2515 -18.2515 -17.6965 -17.6965 -17.6914 -17.6914 -16.6590 -16.6590 -16.6459 -16.6459 -16.6446 -16.6446 -16.6330 -16.6330 -7.5005 -7.5005 -7.4944 -7.4944 -6.4015 -6.4015 -6.3926 -6.3926 -4.8022 -4.8022 -4.6876 -4.6876 -4.6858 -4.6858 -4.4406 -4.4406 -2.4748 -2.4748 -2.2891 -2.2891 -2.2828 -2.2828 -2.1281 -2.1281 -1.6632 -1.6632 -1.0272 -1.0272 -1.0269 -1.0269 -0.8358 -0.8358 -0.8300 -0.8300 -0.7877 -0.7877 -0.5024 -0.5024 -0.4944 -0.4944 -0.3073 -0.3073 0.1394 0.1394 0.1520 0.1520 0.8828 0.8828 9.4631 9.4631 9.8507 9.8507 10.2257 10.2257 10.2292 10.2292 11.3324 11.3324 11.6070 11.6070 k = 0.3333 0.5774 0.0153 ( 6612 PWs) bands (ev): -18.2541 -18.2541 -18.2514 -18.2514 -17.6965 -17.6965 -17.6915 -17.6915 -16.6589 -16.6589 -16.6459 -16.6459 -16.6446 -16.6446 -16.6330 -16.6330 -7.5008 -7.5008 -7.4947 -7.4947 -6.4009 -6.4009 -6.3921 -6.3921 -4.8017 -4.8017 -4.6878 -4.6878 -4.6860 -4.6860 -4.4413 -4.4413 -2.4743 -2.4743 -2.2883 -2.2883 -2.2820 -2.2820 -2.1289 -2.1289 -1.6621 -1.6621 -1.0322 -1.0322 -1.0318 -1.0318 -0.8325 -0.8325 -0.8267 -0.8267 -0.7918 -0.7918 -0.5024 -0.5024 -0.4945 -0.4945 -0.3027 -0.3027 0.1404 0.1404 0.1530 0.1530 0.8815 0.8815 9.4635 9.4635 9.8498 9.8498 10.2266 10.2266 10.2302 10.2302 11.3333 11.3333 11.5989 11.5997 k = 0.3333 0.5774 0.0306 ( 6597 PWs) bands (ev): -18.2540 -18.2540 -18.2513 -18.2513 -17.6967 -17.6967 -17.6917 -17.6917 -16.6588 -16.6588 -16.6458 -16.6458 -16.6445 -16.6445 -16.6331 -16.6331 -7.5018 -7.5018 -7.4956 -7.4956 -6.3994 -6.3994 -6.3905 -6.3905 -4.8002 -4.8002 -4.6883 -4.6883 -4.6865 -4.6865 -4.4431 -4.4431 -2.4730 -2.4730 -2.2860 -2.2860 -2.2797 -2.2797 -2.1313 -2.1313 -1.6588 -1.6588 -1.0462 -1.0462 -1.0456 -1.0456 -0.8235 -0.8235 -0.8179 -0.8179 -0.8034 -0.8034 -0.5026 -0.5026 -0.4947 -0.4947 -0.2891 -0.2891 0.1434 0.1434 0.1560 0.1560 0.8777 0.8777 9.4649 9.4649 9.8474 9.8474 10.2295 10.2295 10.2330 10.2330 11.3359 11.3359 11.5758 11.5760 k = 0.3333 0.5774 0.0459 ( 6597 PWs) bands (ev): -18.2539 -18.2539 -18.2512 -18.2512 -17.6970 -17.6970 -17.6920 -17.6920 -16.6587 -16.6587 -16.6457 -16.6457 -16.6443 -16.6443 -16.6331 -16.6331 -7.5034 -7.5034 -7.4972 -7.4972 -6.3968 -6.3968 -6.3880 -6.3880 -4.7976 -4.7976 -4.6891 -4.6891 -4.6873 -4.6873 -4.4462 -4.4462 -2.4707 -2.4707 -2.2822 -2.2822 -2.2758 -2.2758 -2.1353 -2.1353 -1.6534 -1.6534 -1.0670 -1.0670 -1.0662 -1.0662 -0.8217 -0.8217 -0.8108 -0.8108 -0.8053 -0.8053 -0.5028 -0.5028 -0.4949 -0.4949 -0.2679 -0.2679 0.1483 0.1483 0.1609 0.1609 0.8714 0.8714 9.4672 9.4672 9.8433 9.8433 10.2342 10.2342 10.2377 10.2377 11.3402 11.3402 11.5410 11.5430 k = 0.3333 0.5774 0.0612 ( 6612 PWs) bands (ev): -18.2537 -18.2537 -18.2510 -18.2510 -17.6975 -17.6975 -17.6924 -17.6924 -16.6585 -16.6585 -16.6456 -16.6456 -16.6440 -16.6440 -16.6332 -16.6332 -7.5055 -7.5055 -7.4994 -7.4994 -6.3933 -6.3933 -6.3846 -6.3846 -4.7941 -4.7941 -4.6902 -4.6902 -4.6884 -4.6884 -4.4505 -4.4505 -2.4676 -2.4676 -2.2769 -2.2769 -2.2705 -2.2705 -2.1407 -2.1407 -1.6459 -1.6459 -1.0925 -1.0925 -1.0916 -1.0916 -0.8448 -0.8448 -0.7964 -0.7964 -0.7911 -0.7911 -0.5032 -0.5032 -0.4952 -0.4952 -0.2405 -0.2405 0.1550 0.1550 0.1674 0.1674 0.8625 0.8625 9.4705 9.4705 9.8377 9.8377 10.2408 10.2408 10.2443 10.2443 11.3460 11.3460 11.4976 11.4976 k = 0.3333 0.5774 0.0765 ( 6594 PWs) bands (ev): -18.2534 -18.2534 -18.2507 -18.2507 -17.6980 -17.6980 -17.6930 -17.6930 -16.6582 -16.6582 -16.6454 -16.6454 -16.6437 -16.6437 -16.6333 -16.6333 -7.5082 -7.5082 -7.5020 -7.5020 -6.3890 -6.3890 -6.3803 -6.3803 -4.7897 -4.7897 -4.6916 -4.6916 -4.6898 -4.6898 -4.4559 -4.4559 -2.4636 -2.4636 -2.2701 -2.2701 -2.2637 -2.2637 -2.1474 -2.1474 -1.6365 -1.6365 -1.1213 -1.1213 -1.1203 -1.1203 -0.8717 -0.8717 -0.7815 -0.7815 -0.7764 -0.7764 -0.5036 -0.5036 -0.4956 -0.4956 -0.2083 -0.2083 0.1632 0.1632 0.1756 0.1756 0.8512 0.8512 9.4746 9.4746 9.8306 9.8306 10.2493 10.2493 10.2528 10.2528 11.3535 11.3535 11.4489 11.4489 k = 0.3333 0.5774 0.0918 ( 6579 PWs) bands (ev): -18.2531 -18.2531 -18.2504 -18.2504 -17.6986 -17.6986 -17.6936 -17.6936 -16.6579 -16.6579 -16.6453 -16.6453 -16.6433 -16.6433 -16.6335 -16.6335 -7.5113 -7.5113 -7.5051 -7.5051 -6.3840 -6.3840 -6.3753 -6.3753 -4.7842 -4.7842 -4.6932 -4.6932 -4.6914 -4.6914 -4.4624 -4.4624 -2.4587 -2.4587 -2.2621 -2.2621 -2.2556 -2.2556 -2.1553 -2.1553 -1.6253 -1.6253 -1.1522 -1.1522 -1.1512 -1.1512 -0.9010 -0.9010 -0.7670 -0.7670 -0.7619 -0.7619 -0.5041 -0.5041 -0.4961 -0.4961 -0.1725 -0.1725 0.1727 0.1727 0.1850 0.1850 0.8375 0.8375 9.4796 9.4796 9.8222 9.8222 10.2595 10.2595 10.2630 10.2630 11.3622 11.3622 11.3970 11.3970 k = 0.3333 0.5774 0.1071 ( 6591 PWs) bands (ev): -18.2527 -18.2527 -18.2500 -18.2500 -17.6993 -17.6993 -17.6943 -17.6943 -16.6575 -16.6575 -16.6451 -16.6451 -16.6429 -16.6429 -16.6336 -16.6336 -7.5148 -7.5148 -7.5086 -7.5086 -6.3784 -6.3784 -6.3697 -6.3697 -4.7779 -4.7779 -4.6951 -4.6951 -4.6932 -4.6932 -4.4700 -4.4700 -2.4531 -2.4531 -2.2527 -2.2527 -2.2462 -2.2462 -2.1642 -2.1642 -1.6125 -1.6125 -1.1845 -1.1845 -1.1835 -1.1835 -0.9321 -0.9321 -0.7533 -0.7533 -0.7482 -0.7482 -0.5046 -0.5046 -0.4967 -0.4967 -0.1339 -0.1339 0.1832 0.1832 0.1954 0.1954 0.8213 0.8213 9.4855 9.4855 9.8125 9.8125 10.2714 10.2714 10.2749 10.2749 11.3435 11.3435 11.3468 11.3468 k = 0.3333 0.5774 0.1224 ( 6594 PWs) bands (ev): -18.2524 -18.2524 -18.2497 -18.2497 -17.7001 -17.7001 -17.6951 -17.6951 -16.6571 -16.6571 -16.6450 -16.6450 -16.6424 -16.6424 -16.6337 -16.6337 -7.5185 -7.5185 -7.5123 -7.5123 -6.3723 -6.3723 -6.3637 -6.3637 -4.7706 -4.7706 -4.6971 -4.6971 -4.6952 -4.6952 -4.4786 -4.4786 -2.4467 -2.4467 -2.2422 -2.2422 -2.2357 -2.2357 -2.1739 -2.1739 -1.5981 -1.5981 -1.2175 -1.2175 -1.2166 -1.2166 -0.9641 -0.9641 -0.7405 -0.7405 -0.7354 -0.7354 -0.5052 -0.5052 -0.4973 -0.4973 -0.0933 -0.0933 0.1944 0.1944 0.2066 0.2066 0.8028 0.8028 9.4923 9.4923 9.8017 9.8017 10.2851 10.2851 10.2886 10.2886 11.2894 11.2894 11.2935 11.2935 k = 0.3333 0.5774 0.1377 ( 6594 PWs) bands (ev): -18.2520 -18.2520 -18.2493 -18.2493 -17.7009 -17.7009 -17.6959 -17.6959 -16.6566 -16.6566 -16.6449 -16.6449 -16.6420 -16.6420 -16.6338 -16.6338 -7.5224 -7.5224 -7.5161 -7.5161 -6.3660 -6.3660 -6.3574 -6.3574 -4.7625 -4.7625 -4.6992 -4.6992 -4.6972 -4.6972 -4.4881 -4.4881 -2.4395 -2.4395 -2.2307 -2.2307 -2.2244 -2.2244 -2.1842 -2.1842 -1.5823 -1.5823 -1.2508 -1.2508 -1.2500 -1.2500 -0.9968 -0.9968 -0.7289 -0.7289 -0.7238 -0.7238 -0.5059 -0.5059 -0.4979 -0.4979 -0.0512 -0.0512 0.2061 0.2061 0.2182 0.2182 0.7820 0.7820 9.4999 9.4999 9.7899 9.7899 10.3003 10.3003 10.3038 10.3038 11.2356 11.2356 11.2400 11.2400 k = 0.3333 0.5774 0.1530 ( 6600 PWs) bands (ev): -18.2516 -18.2515 -18.2489 -18.2489 -17.7017 -17.7017 -17.6967 -17.6967 -16.6561 -16.6561 -16.6449 -16.6449 -16.6415 -16.6415 -16.6338 -16.6338 -7.5263 -7.5263 -7.5200 -7.5200 -6.3595 -6.3595 -6.3509 -6.3509 -4.7536 -4.7536 -4.7013 -4.7013 -4.6993 -4.6993 -4.4984 -4.4984 -2.4316 -2.4316 -2.2184 -2.2184 -2.2132 -2.2132 -2.1941 -2.1941 -1.5651 -1.5651 -1.2838 -1.2838 -1.2831 -1.2831 -1.0296 -1.0296 -0.7184 -0.7184 -0.7133 -0.7133 -0.5065 -0.5065 -0.4986 -0.4986 -0.0081 -0.0081 0.2180 0.2180 0.2300 0.2300 0.7591 0.7591 9.5083 9.5083 9.7772 9.7772 10.3170 10.3170 10.3204 10.3204 11.1827 11.1827 11.1873 11.1873 k = 0.3333 0.5774 0.1683 ( 6594 PWs) bands (ev): -18.2511 -18.2511 -18.2485 -18.2485 -17.7025 -17.7025 -17.6975 -17.6975 -16.6555 -16.6555 -16.6449 -16.6449 -16.6410 -16.6410 -16.6338 -16.6338 -7.5303 -7.5303 -7.5239 -7.5239 -6.3530 -6.3530 -6.3445 -6.3445 -4.7439 -4.7439 -4.7035 -4.7035 -4.7014 -4.7014 -4.5096 -4.5096 -2.4230 -2.4230 -2.2111 -2.2111 -2.2055 -2.2055 -2.1948 -2.1948 -1.5468 -1.5468 -1.3162 -1.3162 -1.3156 -1.3156 -1.0625 -1.0625 -0.7091 -0.7091 -0.7039 -0.7039 -0.5072 -0.5072 -0.4992 -0.4992 0.0358 0.0358 0.2297 0.2297 0.2416 0.2416 0.7340 0.7340 9.5175 9.5175 9.7638 9.7638 10.3350 10.3350 10.3384 10.3384 11.1312 11.1312 11.1361 11.1361 k = 0.3333 0.5774 0.1836 ( 6600 PWs) bands (ev): -18.2507 -18.2507 -18.2481 -18.2481 -17.7033 -17.7033 -17.6983 -17.6983 -16.6549 -16.6549 -16.6451 -16.6451 -16.6405 -16.6405 -16.6338 -16.6338 -7.5340 -7.5340 -7.5277 -7.5277 -6.3467 -6.3467 -6.3383 -6.3383 -4.7336 -4.7336 -4.7057 -4.7057 -4.7034 -4.7034 -4.5214 -4.5214 -2.4139 -2.4139 -2.2214 -2.2214 -2.1922 -2.1922 -2.1832 -2.1832 -1.5273 -1.5273 -1.3473 -1.3473 -1.3470 -1.3470 -1.0951 -1.0951 -0.7009 -0.7009 -0.6957 -0.6957 -0.5078 -0.5078 -0.4999 -0.4999 0.0801 0.0801 0.2409 0.2409 0.2528 0.2528 0.7068 0.7068 9.5275 9.5275 9.7498 9.7498 10.3542 10.3542 10.3576 10.3576 11.0817 11.0817 11.0867 11.0867 k = 0.3333 0.5774 0.1989 ( 6603 PWs) bands (ev): -18.2504 -18.2504 -18.2477 -18.2477 -17.7041 -17.7041 -17.6991 -17.6991 -16.6543 -16.6543 -16.6453 -16.6453 -16.6400 -16.6400 -16.6338 -16.6338 -7.5376 -7.5376 -7.5312 -7.5312 -6.3408 -6.3408 -6.3324 -6.3324 -4.7228 -4.7228 -4.7077 -4.7077 -4.7051 -4.7051 -4.5338 -4.5338 -2.4041 -2.4041 -2.2335 -2.2335 -2.1789 -2.1789 -2.1700 -2.1700 -1.5068 -1.5068 -1.3769 -1.3769 -1.3767 -1.3767 -1.1273 -1.1273 -0.6938 -0.6938 -0.6886 -0.6886 -0.5084 -0.5084 -0.5005 -0.5005 0.1246 0.1246 0.2515 0.2515 0.2633 0.2633 0.6777 0.6777 9.5382 9.5382 9.7353 9.7353 10.3742 10.3742 10.3775 10.3775 11.0345 11.0345 11.0397 11.0397 k = 0.3333 0.5774 0.2142 ( 6609 PWs) bands (ev): -18.2500 -18.2500 -18.2473 -18.2473 -17.7048 -17.7048 -17.6998 -17.6998 -16.6537 -16.6537 -16.6456 -16.6456 -16.6396 -16.6396 -16.6337 -16.6337 -7.5408 -7.5408 -7.5344 -7.5344 -6.3353 -6.3353 -6.3269 -6.3269 -4.7129 -4.7129 -4.7096 -4.7096 -4.7051 -4.7051 -4.5468 -4.5468 -2.3938 -2.3938 -2.2460 -2.2460 -2.1659 -2.1659 -2.1570 -2.1570 -1.4853 -1.4853 -1.4042 -1.4042 -1.4041 -1.4041 -1.1591 -1.1591 -0.6877 -0.6877 -0.6825 -0.6825 -0.5090 -0.5090 -0.5011 -0.5011 0.1691 0.1691 0.2611 0.2611 0.2729 0.2729 0.6467 0.6467 9.5496 9.5496 9.7204 9.7204 10.3947 10.3947 10.3980 10.3980 10.9902 10.9902 10.9956 10.9956 k = 0.3333 0.5774 0.2295 ( 6603 PWs) bands (ev): -18.2497 -18.2497 -18.2470 -18.2470 -17.7054 -17.7054 -17.7004 -17.7004 -16.6530 -16.6530 -16.6460 -16.6460 -16.6393 -16.6393 -16.6336 -16.6336 -7.5437 -7.5437 -7.5373 -7.5373 -6.3304 -6.3304 -6.3221 -6.3221 -4.7113 -4.7113 -4.7106 -4.7106 -4.6968 -4.6968 -4.5601 -4.5601 -2.3831 -2.3831 -2.2588 -2.2588 -2.1537 -2.1537 -2.1446 -2.1446 -1.4632 -1.4632 -1.4287 -1.4287 -1.4285 -1.4285 -1.1903 -1.1903 -0.6827 -0.6827 -0.6774 -0.6774 -0.5095 -0.5095 -0.5016 -0.5016 0.2134 0.2134 0.2696 0.2696 0.2814 0.2814 0.6139 0.6139 9.5616 9.5616 9.7053 9.7053 10.4152 10.4152 10.4184 10.4184 10.9495 10.9495 10.9550 10.9550 k = 0.3333 0.5774 0.2448 ( 6561 PWs) bands (ev): -18.2494 -18.2494 -18.2467 -18.2467 -17.7060 -17.7060 -17.7009 -17.7009 -16.6523 -16.6523 -16.6465 -16.6465 -16.6389 -16.6389 -16.6335 -16.6335 -7.5462 -7.5462 -7.5397 -7.5397 -6.3263 -6.3263 -6.3180 -6.3180 -4.7127 -4.7127 -4.7115 -4.7115 -4.6845 -4.6845 -4.5738 -4.5738 -2.3719 -2.3719 -2.2717 -2.2717 -2.1427 -2.1427 -2.1334 -2.1334 -1.4525 -1.4525 -1.4499 -1.4499 -1.4371 -1.4371 -1.2209 -1.2209 -0.6786 -0.6786 -0.6732 -0.6732 -0.5100 -0.5100 -0.5020 -0.5020 0.2572 0.2572 0.2768 0.2768 0.2887 0.2887 0.5795 0.5795 9.5742 9.5742 9.6901 9.6901 10.4349 10.4349 10.4380 10.4380 10.9131 10.9131 10.9188 10.9188 k = 0.3333 0.5774 0.2601 ( 6555 PWs) bands (ev): -18.2492 -18.2492 -18.2465 -18.2465 -17.7064 -17.7064 -17.7013 -17.7013 -16.6517 -16.6517 -16.6469 -16.6469 -16.6387 -16.6387 -16.6334 -16.6334 -7.5481 -7.5481 -7.5417 -7.5417 -6.3229 -6.3229 -6.3147 -6.3147 -4.7139 -4.7139 -4.7124 -4.7124 -4.6715 -4.6715 -4.5878 -4.5878 -2.3603 -2.3603 -2.2847 -2.2847 -2.1335 -2.1335 -2.1240 -2.1240 -1.4686 -1.4686 -1.4672 -1.4672 -1.4141 -1.4141 -1.2508 -1.2508 -0.6754 -0.6754 -0.6701 -0.6701 -0.5103 -0.5103 -0.5024 -0.5024 0.2826 0.2826 0.2927 0.2927 0.3025 0.3025 0.5435 0.5435 9.5874 9.5874 9.6748 9.6748 10.4528 10.4528 10.4558 10.4558 10.8822 10.8822 10.8880 10.8880 k = 0.3333 0.5774 0.2754 ( 6555 PWs) bands (ev): -18.2490 -18.2490 -18.2464 -18.2464 -17.7067 -17.7067 -17.7017 -17.7017 -16.6511 -16.6511 -16.6474 -16.6474 -16.6385 -16.6385 -16.6333 -16.6333 -7.5496 -7.5496 -7.5431 -7.5431 -6.3205 -6.3205 -6.3122 -6.3122 -4.7148 -4.7148 -4.7132 -4.7132 -4.6580 -4.6580 -4.6019 -4.6019 -2.3484 -2.3484 -2.2975 -2.2975 -2.1265 -2.1265 -2.1168 -2.1168 -1.4814 -1.4814 -1.4800 -1.4800 -1.3891 -1.3891 -1.2800 -1.2800 -0.6732 -0.6732 -0.6678 -0.6678 -0.5106 -0.5106 -0.5026 -0.5026 0.2868 0.2868 0.2980 0.2980 0.3441 0.3441 0.5061 0.5061 9.6011 9.6011 9.6596 9.6596 10.4675 10.4675 10.4704 10.4704 10.8582 10.8582 10.8642 10.8642 k = 0.3333 0.5774 0.2907 ( 6558 PWs) bands (ev): -18.2489 -18.2489 -18.2463 -18.2463 -17.7069 -17.7069 -17.7018 -17.7018 -16.6506 -16.6506 -16.6479 -16.6479 -16.6384 -16.6384 -16.6333 -16.6333 -7.5504 -7.5504 -7.5440 -7.5440 -6.3190 -6.3190 -6.3108 -6.3108 -4.7153 -4.7153 -4.7137 -4.7137 -4.6442 -4.6442 -4.6160 -4.6160 -2.3364 -2.3364 -2.3101 -2.3101 -2.1220 -2.1220 -2.1122 -2.1122 -1.4894 -1.4894 -1.4879 -1.4879 -1.3630 -1.3630 -1.3085 -1.3085 -0.6718 -0.6718 -0.6665 -0.6665 -0.5107 -0.5107 -0.5028 -0.5028 0.2893 0.2893 0.3006 0.3006 0.3859 0.3859 0.4675 0.4675 9.6152 9.6152 9.6446 9.6446 10.4772 10.4772 10.4801 10.4801 10.8428 10.8428 10.8489 10.8489 k = 0.3333 0.5774 0.3060 ( 6558 PWs) bands (ev): -18.2489 -18.2489 -18.2462 -18.2462 -17.7070 -17.7070 -17.7019 -17.7019 -16.6504 -16.6504 -16.6480 -16.6480 -16.6383 -16.6383 -16.6333 -16.6333 -7.5507 -7.5507 -7.5443 -7.5443 -6.3185 -6.3185 -6.3103 -6.3103 -4.7155 -4.7155 -4.7139 -4.7139 -4.6307 -4.6307 -4.6296 -4.6296 -2.3271 -2.3271 -2.3196 -2.3196 -2.1205 -2.1205 -2.1107 -2.1107 -1.4921 -1.4921 -1.4906 -1.4906 -1.3366 -1.3366 -1.3357 -1.3357 -0.6714 -0.6714 -0.6660 -0.6660 -0.5108 -0.5108 -0.5029 -0.5029 0.2902 0.2902 0.3015 0.3015 0.4225 0.4225 0.4319 0.4319 9.6289 9.6289 9.6307 9.6307 10.4807 10.4807 10.4835 10.4835 10.8375 10.8375 10.8436 10.8436 Writing output data file SiO2.save init_run : 0.28s CPU 0.46s WALL ( 1 calls) electrons : 424.32s CPU 429.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 424.30s CPU 429.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.12s WALL ( 269 calls) cegterg : 401.61s CPU 405.89s WALL ( 682 calls) Called by sum_band: Called by *egterg: h_psi : 193.50s CPU 196.38s WALL ( 12760 calls) s_psi : 19.12s CPU 19.05s WALL ( 12760 calls) g_psi : 0.63s CPU 0.61s WALL ( 11809 calls) cdiaghg : 150.19s CPU 151.90s WALL ( 12078 calls) cegterg:over : 20.19s CPU 20.17s WALL ( 11809 calls) cegterg:upda : 19.99s CPU 20.06s WALL ( 11809 calls) cegterg:last : 8.41s CPU 8.39s WALL ( 1483 calls) cdiaghg:chol : 8.77s CPU 8.86s WALL ( 12078 calls) cdiaghg:inve : 6.41s CPU 6.39s WALL ( 12078 calls) cdiaghg:para : 10.90s CPU 10.96s WALL ( 24156 calls) Called by h_psi: h_psi:vloc : 153.72s CPU 156.18s WALL ( 12760 calls) h_psi:vnl : 39.01s CPU 39.40s WALL ( 12760 calls) add_vuspsi : 20.16s CPU 20.32s WALL ( 12760 calls) General routines calbec : 18.80s CPU 19.05s WALL ( 12760 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 141.54s CPU 143.94s WALL ( 1339404 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.38s WALL ( 538 calls) Parallel routines fft_scatter : 46.73s CPU 48.18s WALL ( 1339427 calls) PWSCF : 7m28.63s CPU 7m49.87s WALL This run was terminated on: 21: 5:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=