Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:12:21 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: ./Be4B.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 77 28 8 6503 1465 230 Max 78 29 9 6514 1489 241 Sum 2801 1041 301 234381 53197 8397 bravais-lattice index = 14 lattice parameter (alat) = 6.3665 a.u. unit-cell volume = 539.9924 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.366487 celldm(2)= 1.000000 celldm(3)= 2.092609 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.092609 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.477872 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Be 4.00 9.01220 Be( 1.00) B 3.00 10.81100 B( 1.00) 16 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 398 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0025126 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0025126 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0025126 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0025126 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0025126 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0025126 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0025126 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0025126 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0025126 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0025126 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0025126 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0025126 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0025126 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0025126 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0025126 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0025126 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0025126 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0025126 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0025126 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0025126 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0025126 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0025126 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0025126 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0025126 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0025126 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0025126 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0025126 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0025126 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0025126 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0025126 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0025126 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0025126 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0025126 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0025126 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0025126 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0025126 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0025126 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0025126 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0025126 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0025126 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0025126 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0025126 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0025126 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0025126 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0025126 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0025126 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0025126 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0025126 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0025126 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0025126 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0025126 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0025126 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0025126 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0025126 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0025126 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0025126 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025126 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0025126 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0025126 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0025126 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0025126 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0025126 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0025126 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0025126 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0025126 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0025126 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0025126 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025126 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0025126 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0025126 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0025126 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0025126 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0025126 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0025126 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0025126 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0025126 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0025126 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0025126 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025126 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0025126 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0025126 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0025126 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0025126 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0025126 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0025126 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0025126 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0025126 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0025126 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0025126 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025126 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0025126 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0025126 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0025126 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0025126 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0025126 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0025126 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0025126 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0025126 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0025126 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0025126 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025126 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0025126 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0025126 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0025126 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0025126 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0025126 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0025126 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0025126 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0025126 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0025126 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.0103885), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.0207771), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.0311656), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.0415541), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.0519426), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.0623312), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.0727197), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.0831082), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.0934968), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.1038853), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.1142738), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.1246624), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.1350509), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.1454394), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.1558279), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.1662165), wk = 0.0025126 k( 181) = ( 0.0000000 0.0000000 0.1766050), wk = 0.0025126 k( 182) = ( 0.0000000 0.0000000 0.1869935), wk = 0.0025126 k( 183) = ( 0.0000000 0.0000000 0.1973821), wk = 0.0025126 k( 184) = ( 0.0000000 0.0000000 0.2077706), wk = 0.0025126 k( 185) = ( 0.0000000 0.0000000 0.2181591), wk = 0.0025126 k( 186) = ( 0.0000000 0.0000000 0.2285476), wk = 0.0025126 k( 187) = ( 0.0000000 0.0000000 0.2389362), wk = 0.0025126 k( 188) = ( 0.0000000 0.0000000 0.2389362), wk = 0.0025126 k( 189) = ( 0.0000000 0.0106383 0.2389362), wk = 0.0025126 k( 190) = ( 0.0000000 0.0212766 0.2389362), wk = 0.0025126 k( 191) = ( 0.0000000 0.0319149 0.2389362), wk = 0.0025126 k( 192) = ( 0.0000000 0.0425532 0.2389362), wk = 0.0025126 k( 193) = ( 0.0000000 0.0531915 0.2389362), wk = 0.0025126 k( 194) = ( 0.0000000 0.0638298 0.2389362), wk = 0.0025126 k( 195) = ( 0.0000000 0.0744681 0.2389362), wk = 0.0025126 k( 196) = ( 0.0000000 0.0851064 0.2389362), wk = 0.0025126 k( 197) = ( 0.0000000 0.0957447 0.2389362), wk = 0.0025126 k( 198) = ( 0.0000000 0.1063830 0.2389362), wk = 0.0025126 k( 199) = ( 0.0000000 0.1170213 0.2389362), wk = 0.0025126 k( 200) = ( 0.0000000 0.1276596 0.2389362), wk = 0.0025126 k( 201) = ( 0.0000000 0.1382979 0.2389362), wk = 0.0025126 k( 202) = ( 0.0000000 0.1489362 0.2389362), wk = 0.0025126 k( 203) = ( 0.0000000 0.1595745 0.2389362), wk = 0.0025126 k( 204) = ( 0.0000000 0.1702128 0.2389362), wk = 0.0025126 k( 205) = ( 0.0000000 0.1808511 0.2389362), wk = 0.0025126 k( 206) = ( 0.0000000 0.1914894 0.2389362), wk = 0.0025126 k( 207) = ( 0.0000000 0.2021277 0.2389362), wk = 0.0025126 k( 208) = ( 0.0000000 0.2127660 0.2389362), wk = 0.0025126 k( 209) = ( 0.0000000 0.2234043 0.2389362), wk = 0.0025126 k( 210) = ( 0.0000000 0.2340425 0.2389362), wk = 0.0025126 k( 211) = ( 0.0000000 0.2446809 0.2389362), wk = 0.0025126 k( 212) = ( 0.0000000 0.2553191 0.2389362), wk = 0.0025126 k( 213) = ( 0.0000000 0.2659574 0.2389362), wk = 0.0025126 k( 214) = ( 0.0000000 0.2765957 0.2389362), wk = 0.0025126 k( 215) = ( 0.0000000 0.2872340 0.2389362), wk = 0.0025126 k( 216) = ( 0.0000000 0.2978723 0.2389362), wk = 0.0025126 k( 217) = ( 0.0000000 0.3085106 0.2389362), wk = 0.0025126 k( 218) = ( 0.0000000 0.3191489 0.2389362), wk = 0.0025126 k( 219) = ( 0.0000000 0.3297872 0.2389362), wk = 0.0025126 k( 220) = ( 0.0000000 0.3404255 0.2389362), wk = 0.0025126 k( 221) = ( 0.0000000 0.3510638 0.2389362), wk = 0.0025126 k( 222) = ( 0.0000000 0.3617021 0.2389362), wk = 0.0025126 k( 223) = ( 0.0000000 0.3723404 0.2389362), wk = 0.0025126 k( 224) = ( 0.0000000 0.3829787 0.2389362), wk = 0.0025126 k( 225) = ( 0.0000000 0.3936170 0.2389362), wk = 0.0025126 k( 226) = ( 0.0000000 0.4042553 0.2389362), wk = 0.0025126 k( 227) = ( 0.0000000 0.4148936 0.2389362), wk = 0.0025126 k( 228) = ( 0.0000000 0.4255319 0.2389362), wk = 0.0025126 k( 229) = ( 0.0000000 0.4361702 0.2389362), wk = 0.0025126 k( 230) = ( 0.0000000 0.4468085 0.2389362), wk = 0.0025126 k( 231) = ( 0.0000000 0.4574468 0.2389362), wk = 0.0025126 k( 232) = ( 0.0000000 0.4680851 0.2389362), wk = 0.0025126 k( 233) = ( 0.0000000 0.4787234 0.2389362), wk = 0.0025126 k( 234) = ( 0.0000000 0.4893617 0.2389362), wk = 0.0025126 k( 235) = ( 0.0000000 0.5000000 0.2389362), wk = 0.0025126 k( 236) = ( 0.0000000 0.5000000 0.2389362), wk = 0.0025126 k( 237) = ( 0.0106383 0.5000000 0.2389362), wk = 0.0025126 k( 238) = ( 0.0212766 0.5000000 0.2389362), wk = 0.0025126 k( 239) = ( 0.0319149 0.5000000 0.2389362), wk = 0.0025126 k( 240) = ( 0.0425532 0.5000000 0.2389362), wk = 0.0025126 k( 241) = ( 0.0531915 0.5000000 0.2389362), wk = 0.0025126 k( 242) = ( 0.0638298 0.5000000 0.2389362), wk = 0.0025126 k( 243) = ( 0.0744681 0.5000000 0.2389362), wk = 0.0025126 k( 244) = ( 0.0851064 0.5000000 0.2389362), wk = 0.0025126 k( 245) = ( 0.0957447 0.5000000 0.2389362), wk = 0.0025126 k( 246) = ( 0.1063830 0.5000000 0.2389362), wk = 0.0025126 k( 247) = ( 0.1170213 0.5000000 0.2389362), wk = 0.0025126 k( 248) = ( 0.1276596 0.5000000 0.2389362), wk = 0.0025126 k( 249) = ( 0.1382979 0.5000000 0.2389362), wk = 0.0025126 k( 250) = ( 0.1489362 0.5000000 0.2389362), wk = 0.0025126 k( 251) = ( 0.1595745 0.5000000 0.2389362), wk = 0.0025126 k( 252) = ( 0.1702128 0.5000000 0.2389362), wk = 0.0025126 k( 253) = ( 0.1808511 0.5000000 0.2389362), wk = 0.0025126 k( 254) = ( 0.1914894 0.5000000 0.2389362), wk = 0.0025126 k( 255) = ( 0.2021277 0.5000000 0.2389362), wk = 0.0025126 k( 256) = ( 0.2127660 0.5000000 0.2389362), wk = 0.0025126 k( 257) = ( 0.2234043 0.5000000 0.2389362), wk = 0.0025126 k( 258) = ( 0.2340425 0.5000000 0.2389362), wk = 0.0025126 k( 259) = ( 0.2446809 0.5000000 0.2389362), wk = 0.0025126 k( 260) = ( 0.2553191 0.5000000 0.2389362), wk = 0.0025126 k( 261) = ( 0.2659574 0.5000000 0.2389362), wk = 0.0025126 k( 262) = ( 0.2765957 0.5000000 0.2389362), wk = 0.0025126 k( 263) = ( 0.2872340 0.5000000 0.2389362), wk = 0.0025126 k( 264) = ( 0.2978723 0.5000000 0.2389362), wk = 0.0025126 k( 265) = ( 0.3085106 0.5000000 0.2389362), wk = 0.0025126 k( 266) = ( 0.3191489 0.5000000 0.2389362), wk = 0.0025126 k( 267) = ( 0.3297872 0.5000000 0.2389362), wk = 0.0025126 k( 268) = ( 0.3404255 0.5000000 0.2389362), wk = 0.0025126 k( 269) = ( 0.3510638 0.5000000 0.2389362), wk = 0.0025126 k( 270) = ( 0.3617021 0.5000000 0.2389362), wk = 0.0025126 k( 271) = ( 0.3723404 0.5000000 0.2389362), wk = 0.0025126 k( 272) = ( 0.3829787 0.5000000 0.2389362), wk = 0.0025126 k( 273) = ( 0.3936170 0.5000000 0.2389362), wk = 0.0025126 k( 274) = ( 0.4042553 0.5000000 0.2389362), wk = 0.0025126 k( 275) = ( 0.4148936 0.5000000 0.2389362), wk = 0.0025126 k( 276) = ( 0.4255319 0.5000000 0.2389362), wk = 0.0025126 k( 277) = ( 0.4361702 0.5000000 0.2389362), wk = 0.0025126 k( 278) = ( 0.4468085 0.5000000 0.2389362), wk = 0.0025126 k( 279) = ( 0.4574468 0.5000000 0.2389362), wk = 0.0025126 k( 280) = ( 0.4680851 0.5000000 0.2389362), wk = 0.0025126 k( 281) = ( 0.4787234 0.5000000 0.2389362), wk = 0.0025126 k( 282) = ( 0.4893617 0.5000000 0.2389362), wk = 0.0025126 k( 283) = ( 0.5000000 0.5000000 0.2389362), wk = 0.0025126 k( 284) = ( 0.5000000 0.5000000 0.2389362), wk = 0.0025126 k( 285) = ( 0.4924242 0.4924242 0.2389362), wk = 0.0025126 k( 286) = ( 0.4848485 0.4848485 0.2389362), wk = 0.0025126 k( 287) = ( 0.4772727 0.4772727 0.2389362), wk = 0.0025126 k( 288) = ( 0.4696970 0.4696970 0.2389362), wk = 0.0025126 k( 289) = ( 0.4621212 0.4621212 0.2389362), wk = 0.0025126 k( 290) = ( 0.4545455 0.4545454 0.2389362), wk = 0.0025126 k( 291) = ( 0.4469697 0.4469697 0.2389362), wk = 0.0025126 k( 292) = ( 0.4393939 0.4393939 0.2389362), wk = 0.0025126 k( 293) = ( 0.4318182 0.4318182 0.2389362), wk = 0.0025126 k( 294) = ( 0.4242424 0.4242424 0.2389362), wk = 0.0025126 k( 295) = ( 0.4166667 0.4166667 0.2389362), wk = 0.0025126 k( 296) = ( 0.4090909 0.4090909 0.2389362), wk = 0.0025126 k( 297) = ( 0.4015151 0.4015151 0.2389362), wk = 0.0025126 k( 298) = ( 0.3939394 0.3939394 0.2389362), wk = 0.0025126 k( 299) = ( 0.3863636 0.3863636 0.2389362), wk = 0.0025126 k( 300) = ( 0.3787879 0.3787879 0.2389362), wk = 0.0025126 k( 301) = ( 0.3712121 0.3712121 0.2389362), wk = 0.0025126 k( 302) = ( 0.3636364 0.3636364 0.2389362), wk = 0.0025126 k( 303) = ( 0.3560606 0.3560606 0.2389362), wk = 0.0025126 k( 304) = ( 0.3484849 0.3484848 0.2389362), wk = 0.0025126 k( 305) = ( 0.3409091 0.3409091 0.2389362), wk = 0.0025126 k( 306) = ( 0.3333333 0.3333333 0.2389362), wk = 0.0025126 k( 307) = ( 0.3257576 0.3257576 0.2389362), wk = 0.0025126 k( 308) = ( 0.3181818 0.3181818 0.2389362), wk = 0.0025126 k( 309) = ( 0.3106061 0.3106061 0.2389362), wk = 0.0025126 k( 310) = ( 0.3030303 0.3030303 0.2389362), wk = 0.0025126 k( 311) = ( 0.2954545 0.2954545 0.2389362), wk = 0.0025126 k( 312) = ( 0.2878788 0.2878788 0.2389362), wk = 0.0025126 k( 313) = ( 0.2803030 0.2803030 0.2389362), wk = 0.0025126 k( 314) = ( 0.2727273 0.2727273 0.2389362), wk = 0.0025126 k( 315) = ( 0.2651515 0.2651515 0.2389362), wk = 0.0025126 k( 316) = ( 0.2575758 0.2575758 0.2389362), wk = 0.0025126 k( 317) = ( 0.2500000 0.2500000 0.2389362), wk = 0.0025126 k( 318) = ( 0.2424242 0.2424242 0.2389362), wk = 0.0025126 k( 319) = ( 0.2348485 0.2348485 0.2389362), wk = 0.0025126 k( 320) = ( 0.2272727 0.2272727 0.2389362), wk = 0.0025126 k( 321) = ( 0.2196970 0.2196970 0.2389362), wk = 0.0025126 k( 322) = ( 0.2121212 0.2121212 0.2389362), wk = 0.0025126 k( 323) = ( 0.2045454 0.2045454 0.2389362), wk = 0.0025126 k( 324) = ( 0.1969697 0.1969697 0.2389362), wk = 0.0025126 k( 325) = ( 0.1893939 0.1893939 0.2389362), wk = 0.0025126 k( 326) = ( 0.1818182 0.1818182 0.2389362), wk = 0.0025126 k( 327) = ( 0.1742424 0.1742424 0.2389362), wk = 0.0025126 k( 328) = ( 0.1666667 0.1666667 0.2389362), wk = 0.0025126 k( 329) = ( 0.1590909 0.1590909 0.2389362), wk = 0.0025126 k( 330) = ( 0.1515151 0.1515151 0.2389362), wk = 0.0025126 k( 331) = ( 0.1439394 0.1439394 0.2389362), wk = 0.0025126 k( 332) = ( 0.1363636 0.1363636 0.2389362), wk = 0.0025126 k( 333) = ( 0.1287879 0.1287879 0.2389362), wk = 0.0025126 k( 334) = ( 0.1212121 0.1212121 0.2389362), wk = 0.0025126 k( 335) = ( 0.1136364 0.1136364 0.2389362), wk = 0.0025126 k( 336) = ( 0.1060606 0.1060606 0.2389362), wk = 0.0025126 k( 337) = ( 0.0984848 0.0984848 0.2389362), wk = 0.0025126 k( 338) = ( 0.0909091 0.0909091 0.2389362), wk = 0.0025126 k( 339) = ( 0.0833333 0.0833333 0.2389362), wk = 0.0025126 k( 340) = ( 0.0757576 0.0757576 0.2389362), wk = 0.0025126 k( 341) = ( 0.0681818 0.0681818 0.2389362), wk = 0.0025126 k( 342) = ( 0.0606061 0.0606061 0.2389362), wk = 0.0025126 k( 343) = ( 0.0530303 0.0530303 0.2389362), wk = 0.0025126 k( 344) = ( 0.0454546 0.0454545 0.2389362), wk = 0.0025126 k( 345) = ( 0.0378788 0.0378788 0.2389362), wk = 0.0025126 k( 346) = ( 0.0303030 0.0303030 0.2389362), wk = 0.0025126 k( 347) = ( 0.0227273 0.0227273 0.2389362), wk = 0.0025126 k( 348) = ( 0.0151515 0.0151515 0.2389362), wk = 0.0025126 k( 349) = ( 0.0075758 0.0075758 0.2389362), wk = 0.0025126 k( 350) = ( 0.0000000 0.0000000 0.2389362), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.0103885), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.0207771), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.0311656), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.0415541), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.0519426), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.0623312), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.0727197), wk = 0.0025126 k( 359) = ( 0.0000000 0.5000000 0.0831082), wk = 0.0025126 k( 360) = ( 0.0000000 0.5000000 0.0934968), wk = 0.0025126 k( 361) = ( 0.0000000 0.5000000 0.1038853), wk = 0.0025126 k( 362) = ( 0.0000000 0.5000000 0.1142738), wk = 0.0025126 k( 363) = ( 0.0000000 0.5000000 0.1246624), wk = 0.0025126 k( 364) = ( 0.0000000 0.5000000 0.1350509), wk = 0.0025126 k( 365) = ( 0.0000000 0.5000000 0.1454394), wk = 0.0025126 k( 366) = ( 0.0000000 0.5000000 0.1558279), wk = 0.0025126 k( 367) = ( 0.0000000 0.5000000 0.1662165), wk = 0.0025126 k( 368) = ( 0.0000000 0.5000000 0.1766050), wk = 0.0025126 k( 369) = ( 0.0000000 0.5000000 0.1869935), wk = 0.0025126 k( 370) = ( 0.0000000 0.5000000 0.1973821), wk = 0.0025126 k( 371) = ( 0.0000000 0.5000000 0.2077706), wk = 0.0025126 k( 372) = ( 0.0000000 0.5000000 0.2181591), wk = 0.0025126 k( 373) = ( 0.0000000 0.5000000 0.2285476), wk = 0.0025126 k( 374) = ( 0.0000000 0.5000000 0.2389362), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.0103885), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.0207771), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.0311656), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.0415541), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.0519426), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.0623312), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.0727197), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.0831082), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.0934968), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.1038853), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.1142738), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.1246624), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.1350509), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.1454394), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.1558279), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.1662165), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.1766050), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.1869935), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.1973821), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.2077706), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.2181591), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.2285476), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.2389362), wk = 0.0025126 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 2) = ( 0.0000000 0.0106383 0.0000000), wk = 0.0025126 k( 3) = ( 0.0000000 0.0212766 0.0000000), wk = 0.0025126 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0025126 k( 5) = ( 0.0000000 0.0425532 0.0000000), wk = 0.0025126 k( 6) = ( 0.0000000 0.0531915 0.0000000), wk = 0.0025126 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0025126 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0025126 k( 9) = ( 0.0000000 0.0851064 0.0000000), wk = 0.0025126 k( 10) = ( 0.0000000 0.0957447 0.0000000), wk = 0.0025126 k( 11) = ( 0.0000000 0.1063830 0.0000000), wk = 0.0025126 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0025126 k( 13) = ( 0.0000000 0.1276596 0.0000000), wk = 0.0025126 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0025126 k( 15) = ( 0.0000000 0.1489362 0.0000000), wk = 0.0025126 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0025126 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0025126 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0025126 k( 19) = ( 0.0000000 0.1914894 0.0000000), wk = 0.0025126 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0025126 k( 21) = ( 0.0000000 0.2127660 0.0000000), wk = 0.0025126 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0025126 k( 23) = ( 0.0000000 0.2340425 0.0000000), wk = 0.0025126 k( 24) = ( 0.0000000 0.2446809 0.0000000), wk = 0.0025126 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0025126 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0025126 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0025126 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0025126 k( 29) = ( 0.0000000 0.2978723 0.0000000), wk = 0.0025126 k( 30) = ( 0.0000000 0.3085106 0.0000000), wk = 0.0025126 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0025126 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0025126 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0025126 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0025126 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0025126 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0025126 k( 37) = ( 0.0000000 0.3829787 0.0000000), wk = 0.0025126 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0025126 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0025126 k( 40) = ( 0.0000000 0.4148936 0.0000000), wk = 0.0025126 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0025126 k( 42) = ( 0.0000000 0.4361702 0.0000000), wk = 0.0025126 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0025126 k( 44) = ( 0.0000000 0.4574468 0.0000000), wk = 0.0025126 k( 45) = ( 0.0000000 0.4680851 0.0000000), wk = 0.0025126 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0025126 k( 47) = ( 0.0000000 0.4893617 0.0000000), wk = 0.0025126 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0025126 k( 51) = ( 0.0212766 0.5000000 0.0000000), wk = 0.0025126 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0025126 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0025126 k( 54) = ( 0.0531915 0.5000000 0.0000000), wk = 0.0025126 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0025126 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0025126 k( 57) = ( 0.0851064 0.5000000 0.0000000), wk = 0.0025126 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0025126 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0025126 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0025126 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0025126 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0025126 k( 63) = ( 0.1489362 0.5000000 0.0000000), wk = 0.0025126 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0025126 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0025126 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0025126 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0025126 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0025126 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0025126 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0025126 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0025126 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0025126 k( 73) = ( 0.2553191 0.5000000 0.0000000), wk = 0.0025126 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0025126 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0025126 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0025126 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0025126 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0025126 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0025126 k( 80) = ( 0.3297872 0.5000000 0.0000000), wk = 0.0025126 k( 81) = ( 0.3404255 0.5000000 0.0000000), wk = 0.0025126 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0025126 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0025126 k( 84) = ( 0.3723404 0.5000000 0.0000000), wk = 0.0025126 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0025126 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0025126 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0025126 k( 88) = ( 0.4148936 0.5000000 0.0000000), wk = 0.0025126 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0025126 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0025126 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0025126 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0025126 k( 93) = ( 0.4680851 0.5000000 0.0000000), wk = 0.0025126 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0025126 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0025126 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0025126 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0025126 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0025126 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0025126 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0025126 k( 103) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0025126 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0025126 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0025126 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0025126 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0025126 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0025126 k( 109) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0025126 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0025126 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0025126 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0025126 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0025126 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0025126 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0025126 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0025126 k( 117) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0025126 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0025126 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0025126 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0025126 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0025126 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0025126 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0025126 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0025126 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0025126 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0025126 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0025126 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0025126 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0025126 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0025126 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0025126 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0025126 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0025126 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0025126 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0025126 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0025126 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0025126 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0025126 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0025126 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0025126 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025126 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0025126 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0025126 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0025126 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0025126 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0025126 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0025126 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0025126 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0025126 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0025126 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0025126 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0025126 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0025126 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0025126 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0025126 k( 156) = ( 0.0530303 0.0530303 0.0000000), wk = 0.0025126 k( 157) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0025126 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0025126 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0025126 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0025126 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0025126 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0025126 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025126 k( 165) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0025126 k( 166) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0025126 k( 167) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0025126 k( 168) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0025126 k( 169) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0025126 k( 170) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0025126 k( 171) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0025126 k( 172) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0025126 k( 173) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0025126 k( 174) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0025126 k( 175) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0025126 k( 176) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0025126 k( 177) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0025126 k( 178) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0025126 k( 179) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0025126 k( 180) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0025126 k( 181) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0025126 k( 182) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0025126 k( 183) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0025126 k( 184) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0025126 k( 185) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0025126 k( 186) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0025126 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 189) = ( 0.0000000 0.0106383 0.5000000), wk = 0.0025126 k( 190) = ( 0.0000000 0.0212766 0.5000000), wk = 0.0025126 k( 191) = ( 0.0000000 0.0319149 0.5000000), wk = 0.0025126 k( 192) = ( 0.0000000 0.0425532 0.5000000), wk = 0.0025126 k( 193) = ( 0.0000000 0.0531915 0.5000000), wk = 0.0025126 k( 194) = ( 0.0000000 0.0638298 0.5000000), wk = 0.0025126 k( 195) = ( 0.0000000 0.0744681 0.5000000), wk = 0.0025126 k( 196) = ( 0.0000000 0.0851064 0.5000000), wk = 0.0025126 k( 197) = ( 0.0000000 0.0957447 0.5000000), wk = 0.0025126 k( 198) = ( 0.0000000 0.1063830 0.5000000), wk = 0.0025126 k( 199) = ( 0.0000000 0.1170213 0.5000000), wk = 0.0025126 k( 200) = ( 0.0000000 0.1276596 0.5000000), wk = 0.0025126 k( 201) = ( 0.0000000 0.1382979 0.5000000), wk = 0.0025126 k( 202) = ( 0.0000000 0.1489362 0.5000000), wk = 0.0025126 k( 203) = ( 0.0000000 0.1595745 0.5000000), wk = 0.0025126 k( 204) = ( 0.0000000 0.1702128 0.5000000), wk = 0.0025126 k( 205) = ( 0.0000000 0.1808511 0.5000000), wk = 0.0025126 k( 206) = ( 0.0000000 0.1914894 0.5000000), wk = 0.0025126 k( 207) = ( 0.0000000 0.2021277 0.5000000), wk = 0.0025126 k( 208) = ( 0.0000000 0.2127660 0.5000000), wk = 0.0025126 k( 209) = ( 0.0000000 0.2234043 0.5000000), wk = 0.0025126 k( 210) = ( 0.0000000 0.2340425 0.5000000), wk = 0.0025126 k( 211) = ( 0.0000000 0.2446809 0.5000000), wk = 0.0025126 k( 212) = ( 0.0000000 0.2553191 0.5000000), wk = 0.0025126 k( 213) = ( 0.0000000 0.2659574 0.5000000), wk = 0.0025126 k( 214) = ( 0.0000000 0.2765957 0.5000000), wk = 0.0025126 k( 215) = ( 0.0000000 0.2872340 0.5000000), wk = 0.0025126 k( 216) = ( 0.0000000 0.2978723 0.5000000), wk = 0.0025126 k( 217) = ( 0.0000000 0.3085106 0.5000000), wk = 0.0025126 k( 218) = ( 0.0000000 0.3191489 0.5000000), wk = 0.0025126 k( 219) = ( 0.0000000 0.3297872 0.5000000), wk = 0.0025126 k( 220) = ( 0.0000000 0.3404255 0.5000000), wk = 0.0025126 k( 221) = ( 0.0000000 0.3510638 0.5000000), wk = 0.0025126 k( 222) = ( 0.0000000 0.3617021 0.5000000), wk = 0.0025126 k( 223) = ( 0.0000000 0.3723404 0.5000000), wk = 0.0025126 k( 224) = ( 0.0000000 0.3829787 0.5000000), wk = 0.0025126 k( 225) = ( 0.0000000 0.3936170 0.5000000), wk = 0.0025126 k( 226) = ( 0.0000000 0.4042553 0.5000000), wk = 0.0025126 k( 227) = ( 0.0000000 0.4148936 0.5000000), wk = 0.0025126 k( 228) = ( 0.0000000 0.4255319 0.5000000), wk = 0.0025126 k( 229) = ( 0.0000000 0.4361702 0.5000000), wk = 0.0025126 k( 230) = ( 0.0000000 0.4468085 0.5000000), wk = 0.0025126 k( 231) = ( 0.0000000 0.4574468 0.5000000), wk = 0.0025126 k( 232) = ( 0.0000000 0.4680851 0.5000000), wk = 0.0025126 k( 233) = ( 0.0000000 0.4787234 0.5000000), wk = 0.0025126 k( 234) = ( 0.0000000 0.4893617 0.5000000), wk = 0.0025126 k( 235) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 236) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 237) = ( 0.0106383 0.5000000 0.5000000), wk = 0.0025126 k( 238) = ( 0.0212766 0.5000000 0.5000000), wk = 0.0025126 k( 239) = ( 0.0319149 0.5000000 0.5000000), wk = 0.0025126 k( 240) = ( 0.0425532 0.5000000 0.5000000), wk = 0.0025126 k( 241) = ( 0.0531915 0.5000000 0.5000000), wk = 0.0025126 k( 242) = ( 0.0638298 0.5000000 0.5000000), wk = 0.0025126 k( 243) = ( 0.0744681 0.5000000 0.5000000), wk = 0.0025126 k( 244) = ( 0.0851064 0.5000000 0.5000000), wk = 0.0025126 k( 245) = ( 0.0957447 0.5000000 0.5000000), wk = 0.0025126 k( 246) = ( 0.1063830 0.5000000 0.5000000), wk = 0.0025126 k( 247) = ( 0.1170213 0.5000000 0.5000000), wk = 0.0025126 k( 248) = ( 0.1276596 0.5000000 0.5000000), wk = 0.0025126 k( 249) = ( 0.1382979 0.5000000 0.5000000), wk = 0.0025126 k( 250) = ( 0.1489362 0.5000000 0.5000000), wk = 0.0025126 k( 251) = ( 0.1595745 0.5000000 0.5000000), wk = 0.0025126 k( 252) = ( 0.1702128 0.5000000 0.5000000), wk = 0.0025126 k( 253) = ( 0.1808511 0.5000000 0.5000000), wk = 0.0025126 k( 254) = ( 0.1914894 0.5000000 0.5000000), wk = 0.0025126 k( 255) = ( 0.2021277 0.5000000 0.5000000), wk = 0.0025126 k( 256) = ( 0.2127660 0.5000000 0.5000000), wk = 0.0025126 k( 257) = ( 0.2234043 0.5000000 0.5000000), wk = 0.0025126 k( 258) = ( 0.2340425 0.5000000 0.5000000), wk = 0.0025126 k( 259) = ( 0.2446809 0.5000000 0.5000000), wk = 0.0025126 k( 260) = ( 0.2553191 0.5000000 0.5000000), wk = 0.0025126 k( 261) = ( 0.2659574 0.5000000 0.5000000), wk = 0.0025126 k( 262) = ( 0.2765957 0.5000000 0.5000000), wk = 0.0025126 k( 263) = ( 0.2872340 0.5000000 0.5000000), wk = 0.0025126 k( 264) = ( 0.2978723 0.5000000 0.5000000), wk = 0.0025126 k( 265) = ( 0.3085106 0.5000000 0.5000000), wk = 0.0025126 k( 266) = ( 0.3191489 0.5000000 0.5000000), wk = 0.0025126 k( 267) = ( 0.3297872 0.5000000 0.5000000), wk = 0.0025126 k( 268) = ( 0.3404255 0.5000000 0.5000000), wk = 0.0025126 k( 269) = ( 0.3510638 0.5000000 0.5000000), wk = 0.0025126 k( 270) = ( 0.3617021 0.5000000 0.5000000), wk = 0.0025126 k( 271) = ( 0.3723404 0.5000000 0.5000000), wk = 0.0025126 k( 272) = ( 0.3829787 0.5000000 0.5000000), wk = 0.0025126 k( 273) = ( 0.3936170 0.5000000 0.5000000), wk = 0.0025126 k( 274) = ( 0.4042553 0.5000000 0.5000000), wk = 0.0025126 k( 275) = ( 0.4148936 0.5000000 0.5000000), wk = 0.0025126 k( 276) = ( 0.4255319 0.5000000 0.5000000), wk = 0.0025126 k( 277) = ( 0.4361702 0.5000000 0.5000000), wk = 0.0025126 k( 278) = ( 0.4468085 0.5000000 0.5000000), wk = 0.0025126 k( 279) = ( 0.4574468 0.5000000 0.5000000), wk = 0.0025126 k( 280) = ( 0.4680851 0.5000000 0.5000000), wk = 0.0025126 k( 281) = ( 0.4787234 0.5000000 0.5000000), wk = 0.0025126 k( 282) = ( 0.4893617 0.5000000 0.5000000), wk = 0.0025126 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 284) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 k( 285) = ( 0.4924242 0.4924242 0.5000000), wk = 0.0025126 k( 286) = ( 0.4848485 0.4848485 0.5000000), wk = 0.0025126 k( 287) = ( 0.4772727 0.4772727 0.5000000), wk = 0.0025126 k( 288) = ( 0.4696970 0.4696970 0.5000000), wk = 0.0025126 k( 289) = ( 0.4621212 0.4621212 0.5000000), wk = 0.0025126 k( 290) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0025126 k( 291) = ( 0.4469697 0.4469697 0.5000000), wk = 0.0025126 k( 292) = ( 0.4393939 0.4393939 0.5000000), wk = 0.0025126 k( 293) = ( 0.4318182 0.4318182 0.5000000), wk = 0.0025126 k( 294) = ( 0.4242424 0.4242424 0.5000000), wk = 0.0025126 k( 295) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0025126 k( 296) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0025126 k( 297) = ( 0.4015151 0.4015151 0.5000000), wk = 0.0025126 k( 298) = ( 0.3939394 0.3939394 0.5000000), wk = 0.0025126 k( 299) = ( 0.3863636 0.3863636 0.5000000), wk = 0.0025126 k( 300) = ( 0.3787879 0.3787879 0.5000000), wk = 0.0025126 k( 301) = ( 0.3712121 0.3712121 0.5000000), wk = 0.0025126 k( 302) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0025126 k( 303) = ( 0.3560606 0.3560606 0.5000000), wk = 0.0025126 k( 304) = ( 0.3484849 0.3484849 0.5000000), wk = 0.0025126 k( 305) = ( 0.3409091 0.3409091 0.5000000), wk = 0.0025126 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025126 k( 307) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0025126 k( 308) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0025126 k( 309) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0025126 k( 310) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0025126 k( 311) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0025126 k( 312) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0025126 k( 313) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0025126 k( 314) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0025126 k( 315) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0025126 k( 316) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0025126 k( 317) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025126 k( 318) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0025126 k( 319) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0025126 k( 320) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0025126 k( 321) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0025126 k( 322) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0025126 k( 323) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0025126 k( 324) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0025126 k( 325) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0025126 k( 326) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0025126 k( 327) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0025126 k( 328) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025126 k( 329) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0025126 k( 330) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0025126 k( 331) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0025126 k( 332) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0025126 k( 333) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0025126 k( 334) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0025126 k( 335) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0025126 k( 336) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0025126 k( 337) = ( 0.0984848 0.0984848 0.5000000), wk = 0.0025126 k( 338) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0025126 k( 339) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0025126 k( 340) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0025126 k( 341) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0025126 k( 342) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0025126 k( 343) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0025126 k( 344) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0025126 k( 345) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0025126 k( 346) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0025126 k( 347) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0025126 k( 348) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0025126 k( 349) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0025126 k( 350) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025126 k( 351) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025126 k( 352) = ( 0.0000000 0.5000000 0.0217391), wk = 0.0025126 k( 353) = ( 0.0000000 0.5000000 0.0434783), wk = 0.0025126 k( 354) = ( 0.0000000 0.5000000 0.0652174), wk = 0.0025126 k( 355) = ( 0.0000000 0.5000000 0.0869565), wk = 0.0025126 k( 356) = ( 0.0000000 0.5000000 0.1086957), wk = 0.0025126 k( 357) = ( 0.0000000 0.5000000 0.1304348), wk = 0.0025126 k( 358) = ( 0.0000000 0.5000000 0.1521739), wk = 0.0025126 k( 359) = ( 0.0000000 0.5000000 0.1739130), wk = 0.0025126 k( 360) = ( 0.0000000 0.5000000 0.1956522), wk = 0.0025126 k( 361) = ( 0.0000000 0.5000000 0.2173913), wk = 0.0025126 k( 362) = ( 0.0000000 0.5000000 0.2391304), wk = 0.0025126 k( 363) = ( 0.0000000 0.5000000 0.2608696), wk = 0.0025126 k( 364) = ( 0.0000000 0.5000000 0.2826087), wk = 0.0025126 k( 365) = ( 0.0000000 0.5000000 0.3043478), wk = 0.0025126 k( 366) = ( 0.0000000 0.5000000 0.3260870), wk = 0.0025126 k( 367) = ( 0.0000000 0.5000000 0.3478261), wk = 0.0025126 k( 368) = ( 0.0000000 0.5000000 0.3695652), wk = 0.0025126 k( 369) = ( 0.0000000 0.5000000 0.3913044), wk = 0.0025126 k( 370) = ( 0.0000000 0.5000000 0.4130435), wk = 0.0025126 k( 371) = ( 0.0000000 0.5000000 0.4347826), wk = 0.0025126 k( 372) = ( 0.0000000 0.5000000 0.4565217), wk = 0.0025126 k( 373) = ( 0.0000000 0.5000000 0.4782609), wk = 0.0025126 k( 374) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025126 k( 375) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0025126 k( 376) = ( 0.5000000 0.5000000 0.0217391), wk = 0.0025126 k( 377) = ( 0.5000000 0.5000000 0.0434783), wk = 0.0025126 k( 378) = ( 0.5000000 0.5000000 0.0652174), wk = 0.0025126 k( 379) = ( 0.5000000 0.5000000 0.0869565), wk = 0.0025126 k( 380) = ( 0.5000000 0.5000000 0.1086957), wk = 0.0025126 k( 381) = ( 0.5000000 0.5000000 0.1304348), wk = 0.0025126 k( 382) = ( 0.5000000 0.5000000 0.1521739), wk = 0.0025126 k( 383) = ( 0.5000000 0.5000000 0.1739130), wk = 0.0025126 k( 384) = ( 0.5000000 0.5000000 0.1956522), wk = 0.0025126 k( 385) = ( 0.5000000 0.5000000 0.2173913), wk = 0.0025126 k( 386) = ( 0.5000000 0.5000000 0.2391304), wk = 0.0025126 k( 387) = ( 0.5000000 0.5000000 0.2608696), wk = 0.0025126 k( 388) = ( 0.5000000 0.5000000 0.2826087), wk = 0.0025126 k( 389) = ( 0.5000000 0.5000000 0.3043478), wk = 0.0025126 k( 390) = ( 0.5000000 0.5000000 0.3260870), wk = 0.0025126 k( 391) = ( 0.5000000 0.5000000 0.3478261), wk = 0.0025126 k( 392) = ( 0.5000000 0.5000000 0.3695652), wk = 0.0025126 k( 393) = ( 0.5000000 0.5000000 0.3913044), wk = 0.0025126 k( 394) = ( 0.5000000 0.5000000 0.4130435), wk = 0.0025126 k( 395) = ( 0.5000000 0.5000000 0.4347826), wk = 0.0025126 k( 396) = ( 0.5000000 0.5000000 0.4565217), wk = 0.0025126 k( 397) = ( 0.5000000 0.5000000 0.4782609), wk = 0.0025126 k( 398) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025126 Dense grid: 234381 G-vectors FFT dimensions: ( 60, 60, 125) Smooth grid: 53197 G-vectors FFT dimensions: ( 40, 40, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 382, 46) NL pseudopotentials 0.41 Mb ( 191, 140) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.05 Mb ( 6512) G-vector shells 0.02 Mb ( 3015) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.07 Mb ( 382, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.20 Mb ( 140, 2, 46) The potential is recalculated from file : ./Be4B.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 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.6 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.5 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.7 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 12.1 secs Computing kpt #: 18 total cpu time spent up to now is 12.7 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.3 secs Computing kpt #: 23 total cpu time spent up to now is 15.8 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.7 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 19.1 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.4 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.7 secs Computing kpt #: 39 total cpu time spent up to now is 23.2 secs Computing kpt #: 40 total cpu time spent up to now is 23.7 secs Computing kpt #: 41 total cpu time spent up to now is 24.2 secs Computing kpt #: 42 total cpu time spent up to now is 24.6 secs Computing kpt #: 43 total cpu time spent up to now is 25.2 secs Computing kpt #: 44 total cpu time spent up to now is 25.8 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.2 secs Computing kpt #: 47 total cpu time spent up to now is 28.1 secs Computing kpt #: 48 total cpu time spent up to now is 28.6 secs Computing kpt #: 49 total cpu time spent up to now is 29.2 secs Computing kpt #: 50 total cpu time spent up to now is 29.7 secs Computing kpt #: 51 total cpu time spent up to now is 30.3 secs Computing kpt #: 52 total cpu time spent up to now is 30.7 secs Computing kpt #: 53 total cpu time spent up to now is 31.3 secs Computing kpt #: 54 total cpu time spent up to now is 31.8 secs Computing kpt #: 55 total cpu time spent up to now is 32.4 secs Computing kpt #: 56 total cpu time spent up to now is 32.9 secs Computing kpt #: 57 total cpu time spent up to now is 33.5 secs Computing kpt #: 58 total cpu time spent up to now is 34.0 secs Computing kpt #: 59 total cpu time spent up to now is 34.5 secs Computing kpt #: 60 total cpu time spent up to now is 35.0 secs Computing kpt #: 61 total cpu time spent up to now is 35.5 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.4 secs Computing kpt #: 64 total cpu time spent up to now is 36.9 secs Computing kpt #: 65 total cpu time spent up to now is 37.3 secs Computing kpt #: 66 total cpu time spent up to now is 37.8 secs Computing kpt #: 67 total cpu time spent up to now is 38.3 secs Computing kpt #: 68 total cpu time spent up to now is 38.7 secs Computing kpt #: 69 total cpu time spent up to now is 39.2 secs Computing kpt #: 70 total cpu time spent up to now is 39.7 secs Computing kpt #: 71 total cpu time spent up to now is 40.2 secs Computing kpt #: 72 total cpu time spent up to now is 40.6 secs Computing kpt #: 73 total cpu time spent up to now is 41.1 secs Computing kpt #: 74 total cpu time spent up to now is 41.6 secs Computing kpt #: 75 total cpu time spent up to now is 42.1 secs Computing kpt #: 76 total cpu time spent up to now is 42.6 secs Computing kpt #: 77 total cpu time spent up to now is 43.0 secs Computing kpt #: 78 total cpu time spent up to now is 43.5 secs Computing kpt #: 79 total cpu time spent up to now is 44.0 secs Computing kpt #: 80 total cpu time spent up to now is 44.5 secs Computing kpt #: 81 total cpu time spent up to now is 44.9 secs Computing kpt #: 82 total cpu time spent up to now is 45.4 secs Computing kpt #: 83 total cpu time spent up to now is 45.9 secs Computing kpt #: 84 total cpu time spent up to now is 46.4 secs Computing kpt #: 85 total cpu time spent up to now is 46.9 secs Computing kpt #: 86 total cpu time spent up to now is 47.4 secs Computing kpt #: 87 total cpu time spent up to now is 47.9 secs Computing kpt #: 88 total cpu time spent up to now is 48.5 secs Computing kpt #: 89 total cpu time spent up to now is 49.1 secs Computing kpt #: 90 total cpu time spent up to now is 49.7 secs Computing kpt #: 91 total cpu time spent up to now is 50.3 secs Computing kpt #: 92 total cpu time spent up to now is 50.9 secs Computing kpt #: 93 total cpu time spent up to now is 51.6 secs Computing kpt #: 94 total cpu time spent up to now is 52.3 secs Computing kpt #: 95 total cpu time spent up to now is 52.8 secs Computing kpt #: 96 total cpu time spent up to now is 53.4 secs Computing kpt #: 97 total cpu time spent up to now is 53.9 secs Computing kpt #: 98 total cpu time spent up to now is 54.7 secs Computing kpt #: 99 total cpu time spent up to now is 55.5 secs Computing kpt #: 100 total cpu time spent up to now is 56.4 secs Computing kpt #: 101 total cpu time spent up to now is 57.1 secs Computing kpt #: 102 total cpu time spent up to now is 57.8 secs Computing kpt #: 103 total cpu time spent up to now is 58.4 secs Computing kpt #: 104 total cpu time spent up to now is 59.0 secs Computing kpt #: 105 total cpu time spent up to now is 59.5 secs Computing kpt #: 106 total cpu time spent up to now is 60.1 secs Computing kpt #: 107 total cpu time spent up to now is 60.6 secs Computing kpt #: 108 total cpu time spent up to now is 61.1 secs Computing kpt #: 109 total cpu time spent up to now is 61.6 secs Computing kpt #: 110 total cpu time spent up to now is 62.1 secs Computing kpt #: 111 total cpu time spent up to now is 62.6 secs Computing kpt #: 112 total cpu time spent up to now is 63.1 secs Computing kpt #: 113 total cpu time spent up to now is 63.6 secs Computing kpt #: 114 total cpu time spent up to now is 64.1 secs Computing kpt #: 115 total cpu time spent up to now is 64.6 secs Computing kpt #: 116 total cpu time spent up to now is 65.1 secs Computing kpt #: 117 total cpu time spent up to now is 65.6 secs Computing kpt #: 118 total cpu time spent up to now is 66.0 secs Computing kpt #: 119 total cpu time spent up to now is 66.5 secs Computing kpt #: 120 total cpu time spent up to now is 67.0 secs Computing kpt #: 121 total cpu time spent up to now is 67.5 secs Computing kpt #: 122 total cpu time spent up to now is 67.9 secs Computing kpt #: 123 total cpu time spent up to now is 68.4 secs Computing kpt #: 124 total cpu time spent up to now is 68.9 secs Computing kpt #: 125 total cpu time spent up to now is 69.4 secs Computing kpt #: 126 total cpu time spent up to now is 69.8 secs Computing kpt #: 127 total cpu time spent up to now is 70.3 secs Computing kpt #: 128 total cpu time spent up to now is 70.8 secs Computing kpt #: 129 total cpu time spent up to now is 71.3 secs Computing kpt #: 130 total cpu time spent up to now is 71.8 secs Computing kpt #: 131 total cpu time spent up to now is 72.3 secs Computing kpt #: 132 total cpu time spent up to now is 72.8 secs Computing kpt #: 133 total cpu time spent up to now is 73.5 secs Computing kpt #: 134 total cpu time spent up to now is 74.0 secs Computing kpt #: 135 total cpu time spent up to now is 74.6 secs Computing kpt #: 136 total cpu time spent up to now is 75.2 secs Computing kpt #: 137 total cpu time spent up to now is 75.8 secs Computing kpt #: 138 total cpu time spent up to now is 76.4 secs Computing kpt #: 139 total cpu time spent up to now is 77.0 secs Computing kpt #: 140 total cpu time spent up to now is 77.7 secs Computing kpt #: 141 total cpu time spent up to now is 78.3 secs Computing kpt #: 142 total cpu time spent up to now is 78.9 secs Computing kpt #: 143 total cpu time spent up to now is 79.6 secs Computing kpt #: 144 total cpu time spent up to now is 80.2 secs Computing kpt #: 145 total cpu time spent up to now is 80.8 secs Computing kpt #: 146 total cpu time spent up to now is 81.5 secs Computing kpt #: 147 total cpu time spent up to now is 82.1 secs Computing kpt #: 148 total cpu time spent up to now is 82.8 secs Computing kpt #: 149 total cpu time spent up to now is 83.5 secs Computing kpt #: 150 total cpu time spent up to now is 84.2 secs Computing kpt #: 151 total cpu time spent up to now is 84.9 secs Computing kpt #: 152 total cpu time spent up to now is 85.5 secs Computing kpt #: 153 total cpu time spent up to now is 86.2 secs Computing kpt #: 154 total cpu time spent up to now is 86.8 secs Computing kpt #: 155 total cpu time spent up to now is 87.4 secs Computing kpt #: 156 total cpu time spent up to now is 88.0 secs Computing kpt #: 157 total cpu time spent up to now is 88.7 secs Computing kpt #: 158 total cpu time spent up to now is 89.3 secs Computing kpt #: 159 total cpu time spent up to now is 89.9 secs Computing kpt #: 160 total cpu time spent up to now is 90.5 secs Computing kpt #: 161 total cpu time spent up to now is 91.1 secs Computing kpt #: 162 total cpu time spent up to now is 91.7 secs Computing kpt #: 163 total cpu time spent up to now is 92.2 secs Computing kpt #: 164 total cpu time spent up to now is 92.8 secs Computing kpt #: 165 total cpu time spent up to now is 93.3 secs Computing kpt #: 166 total cpu time spent up to now is 93.9 secs Computing kpt #: 167 total cpu time spent up to now is 94.5 secs Computing kpt #: 168 total cpu time spent up to now is 95.0 secs Computing kpt #: 169 total cpu time spent up to now is 95.6 secs Computing kpt #: 170 total cpu time spent up to now is 96.1 secs Computing kpt #: 171 total cpu time spent up to now is 96.7 secs Computing kpt #: 172 total cpu time spent up to now is 97.3 secs Computing kpt #: 173 total cpu time spent up to now is 97.9 secs Computing kpt #: 174 total cpu time spent up to now is 98.5 secs Computing kpt #: 175 total cpu time spent up to now is 99.1 secs Computing kpt #: 176 total cpu time spent up to now is 99.7 secs Computing kpt #: 177 total cpu time spent up to now is 100.3 secs Computing kpt #: 178 total cpu time spent up to now is 100.9 secs Computing kpt #: 179 total cpu time spent up to now is 101.5 secs Computing kpt #: 180 total cpu time spent up to now is 102.2 secs Computing kpt #: 181 total cpu time spent up to now is 102.8 secs Computing kpt #: 182 total cpu time spent up to now is 103.4 secs Computing kpt #: 183 total cpu time spent up to now is 104.2 secs Computing kpt #: 184 total cpu time spent up to now is 105.0 secs Computing kpt #: 185 total cpu time spent up to now is 105.9 secs Computing kpt #: 186 total cpu time spent up to now is 106.7 secs Computing kpt #: 187 total cpu time spent up to now is 107.7 secs Computing kpt #: 188 total cpu time spent up to now is 108.7 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.2 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.8 secs Computing kpt #: 191 total cpu time spent up to now is 113.2 secs Computing kpt #: 192 total cpu time spent up to now is 114.1 secs Computing kpt #: 193 total cpu time spent up to now is 114.9 secs Computing kpt #: 194 total cpu time spent up to now is 115.8 secs Computing kpt #: 195 total cpu time spent up to now is 116.8 secs Computing kpt #: 196 total cpu time spent up to now is 117.7 secs Computing kpt #: 197 total cpu time spent up to now is 118.5 secs Computing kpt #: 198 total cpu time spent up to now is 119.5 secs Computing kpt #: 199 total cpu time spent up to now is 120.4 secs Computing kpt #: 200 total cpu time spent up to now is 121.2 secs Computing kpt #: 201 total cpu time spent up to now is 121.8 secs Computing kpt #: 202 total cpu time spent up to now is 122.3 secs Computing kpt #: 203 total cpu time spent up to now is 122.9 secs Computing kpt #: 204 total cpu time spent up to now is 123.4 secs Computing kpt #: 205 total cpu time spent up to now is 123.9 secs Computing kpt #: 206 total cpu time spent up to now is 124.4 secs Computing kpt #: 207 total cpu time spent up to now is 124.9 secs Computing kpt #: 208 total cpu time spent up to now is 125.4 secs Computing kpt #: 209 total cpu time spent up to now is 126.0 secs Computing kpt #: 210 total cpu time spent up to now is 126.5 secs Computing kpt #: 211 total cpu time spent up to now is 127.0 secs Computing kpt #: 212 total cpu time spent up to now is 127.5 secs Computing kpt #: 213 total cpu time spent up to now is 128.0 secs Computing kpt #: 214 total cpu time spent up to now is 128.5 secs Computing kpt #: 215 total cpu time spent up to now is 129.0 secs Computing kpt #: 216 total cpu time spent up to now is 129.5 secs Computing kpt #: 217 total cpu time spent up to now is 130.1 secs Computing kpt #: 218 total cpu time spent up to now is 130.6 secs Computing kpt #: 219 total cpu time spent up to now is 131.1 secs Computing kpt #: 220 total cpu time spent up to now is 131.6 secs Computing kpt #: 221 total cpu time spent up to now is 132.2 secs Computing kpt #: 222 total cpu time spent up to now is 132.7 secs Computing kpt #: 223 total cpu time spent up to now is 133.2 secs Computing kpt #: 224 total cpu time spent up to now is 133.8 secs Computing kpt #: 225 total cpu time spent up to now is 134.3 secs Computing kpt #: 226 total cpu time spent up to now is 134.8 secs Computing kpt #: 227 total cpu time spent up to now is 135.4 secs Computing kpt #: 228 total cpu time spent up to now is 135.9 secs Computing kpt #: 229 total cpu time spent up to now is 136.4 secs Computing kpt #: 230 total cpu time spent up to now is 137.0 secs Computing kpt #: 231 total cpu time spent up to now is 137.5 secs Computing kpt #: 232 total cpu time spent up to now is 138.1 secs Computing kpt #: 233 total cpu time spent up to now is 138.7 secs Computing kpt #: 234 total cpu time spent up to now is 139.3 secs Computing kpt #: 235 total cpu time spent up to now is 139.8 secs Computing kpt #: 236 total cpu time spent up to now is 140.2 secs Computing kpt #: 237 total cpu time spent up to now is 140.8 secs Computing kpt #: 238 total cpu time spent up to now is 141.3 secs Computing kpt #: 239 total cpu time spent up to now is 141.8 secs Computing kpt #: 240 total cpu time spent up to now is 142.2 secs Computing kpt #: 241 total cpu time spent up to now is 142.7 secs Computing kpt #: 242 total cpu time spent up to now is 143.2 secs Computing kpt #: 243 total cpu time spent up to now is 143.7 secs Computing kpt #: 244 total cpu time spent up to now is 144.2 secs Computing kpt #: 245 total cpu time spent up to now is 144.7 secs Computing kpt #: 246 total cpu time spent up to now is 145.2 secs Computing kpt #: 247 total cpu time spent up to now is 145.7 secs Computing kpt #: 248 total cpu time spent up to now is 146.3 secs Computing kpt #: 249 total cpu time spent up to now is 146.8 secs Computing kpt #: 250 total cpu time spent up to now is 147.3 secs Computing kpt #: 251 total cpu time spent up to now is 147.8 secs Computing kpt #: 252 total cpu time spent up to now is 148.3 secs Computing kpt #: 253 total cpu time spent up to now is 148.8 secs Computing kpt #: 254 total cpu time spent up to now is 149.3 secs Computing kpt #: 255 total cpu time spent up to now is 149.9 secs Computing kpt #: 256 total cpu time spent up to now is 150.4 secs Computing kpt #: 257 total cpu time spent up to now is 151.0 secs Computing kpt #: 258 total cpu time spent up to now is 151.5 secs Computing kpt #: 259 total cpu time spent up to now is 152.2 secs Computing kpt #: 260 total cpu time spent up to now is 152.7 secs Computing kpt #: 261 total cpu time spent up to now is 153.3 secs Computing kpt #: 262 total cpu time spent up to now is 153.8 secs Computing kpt #: 263 total cpu time spent up to now is 154.4 secs Computing kpt #: 264 total cpu time spent up to now is 154.9 secs Computing kpt #: 265 total cpu time spent up to now is 155.4 secs Computing kpt #: 266 total cpu time spent up to now is 155.9 secs Computing kpt #: 267 total cpu time spent up to now is 156.4 secs Computing kpt #: 268 total cpu time spent up to now is 157.0 secs Computing kpt #: 269 total cpu time spent up to now is 157.5 secs Computing kpt #: 270 total cpu time spent up to now is 158.0 secs Computing kpt #: 271 total cpu time spent up to now is 158.5 secs Computing kpt #: 272 total cpu time spent up to now is 159.0 secs Computing kpt #: 273 total cpu time spent up to now is 159.5 secs Computing kpt #: 274 total cpu time spent up to now is 160.1 secs Computing kpt #: 275 total cpu time spent up to now is 160.6 secs Computing kpt #: 276 total cpu time spent up to now is 161.1 secs Computing kpt #: 277 total cpu time spent up to now is 161.6 secs Computing kpt #: 278 total cpu time spent up to now is 162.2 secs Computing kpt #: 279 total cpu time spent up to now is 162.7 secs Computing kpt #: 280 total cpu time spent up to now is 163.2 secs Computing kpt #: 281 total cpu time spent up to now is 163.7 secs Computing kpt #: 282 total cpu time spent up to now is 164.3 secs Computing kpt #: 283 total cpu time spent up to now is 164.8 secs Computing kpt #: 284 total cpu time spent up to now is 165.3 secs Computing kpt #: 285 total cpu time spent up to now is 166.0 secs Computing kpt #: 286 total cpu time spent up to now is 166.7 secs Computing kpt #: 287 total cpu time spent up to now is 167.2 secs Computing kpt #: 288 total cpu time spent up to now is 167.8 secs Computing kpt #: 289 total cpu time spent up to now is 168.3 secs Computing kpt #: 290 total cpu time spent up to now is 169.0 secs Computing kpt #: 291 total cpu time spent up to now is 169.6 secs Computing kpt #: 292 total cpu time spent up to now is 170.1 secs Computing kpt #: 293 total cpu time spent up to now is 170.6 secs Computing kpt #: 294 total cpu time spent up to now is 171.2 secs Computing kpt #: 295 total cpu time spent up to now is 171.8 secs Computing kpt #: 296 total cpu time spent up to now is 172.3 secs Computing kpt #: 297 total cpu time spent up to now is 172.9 secs Computing kpt #: 298 total cpu time spent up to now is 173.5 secs Computing kpt #: 299 total cpu time spent up to now is 174.0 secs Computing kpt #: 300 total cpu time spent up to now is 174.6 secs Computing kpt #: 301 total cpu time spent up to now is 175.1 secs Computing kpt #: 302 total cpu time spent up to now is 175.7 secs Computing kpt #: 303 total cpu time spent up to now is 176.2 secs Computing kpt #: 304 total cpu time spent up to now is 176.7 secs Computing kpt #: 305 total cpu time spent up to now is 177.2 secs Computing kpt #: 306 total cpu time spent up to now is 177.7 secs Computing kpt #: 307 total cpu time spent up to now is 178.2 secs Computing kpt #: 308 total cpu time spent up to now is 178.7 secs Computing kpt #: 309 total cpu time spent up to now is 179.1 secs Computing kpt #: 310 total cpu time spent up to now is 179.6 secs Computing kpt #: 311 total cpu time spent up to now is 180.1 secs Computing kpt #: 312 total cpu time spent up to now is 180.6 secs Computing kpt #: 313 total cpu time spent up to now is 181.0 secs Computing kpt #: 314 total cpu time spent up to now is 181.5 secs Computing kpt #: 315 total cpu time spent up to now is 182.0 secs Computing kpt #: 316 total cpu time spent up to now is 182.5 secs Computing kpt #: 317 total cpu time spent up to now is 182.9 secs Computing kpt #: 318 total cpu time spent up to now is 183.4 secs Computing kpt #: 319 total cpu time spent up to now is 183.9 secs Computing kpt #: 320 total cpu time spent up to now is 184.4 secs Computing kpt #: 321 total cpu time spent up to now is 184.9 secs Computing kpt #: 322 total cpu time spent up to now is 185.5 secs Computing kpt #: 323 total cpu time spent up to now is 186.3 secs Computing kpt #: 324 total cpu time spent up to now is 187.5 secs Computing kpt #: 325 total cpu time spent up to now is 188.4 secs Computing kpt #: 326 total cpu time spent up to now is 189.6 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.1 secs Computing kpt #: 328 total cpu time spent up to now is 192.2 secs Computing kpt #: 329 total cpu time spent up to now is 192.9 secs Computing kpt #: 330 total cpu time spent up to now is 194.0 secs Computing kpt #: 331 total cpu time spent up to now is 194.7 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.1 secs Computing kpt #: 333 total cpu time spent up to now is 197.2 secs Computing kpt #: 334 total cpu time spent up to now is 197.9 secs Computing kpt #: 335 total cpu time spent up to now is 198.8 secs Computing kpt #: 336 total cpu time spent up to now is 199.6 secs Computing kpt #: 337 total cpu time spent up to now is 200.4 secs Computing kpt #: 338 total cpu time spent up to now is 201.2 secs Computing kpt #: 339 total cpu time spent up to now is 202.0 secs Computing kpt #: 340 total cpu time spent up to now is 202.7 secs Computing kpt #: 341 total cpu time spent up to now is 203.5 secs Computing kpt #: 342 total cpu time spent up to now is 204.2 secs Computing kpt #: 343 total cpu time spent up to now is 205.1 secs Computing kpt #: 344 total cpu time spent up to now is 205.9 secs Computing kpt #: 345 total cpu time spent up to now is 206.7 secs Computing kpt #: 346 total cpu time spent up to now is 207.5 secs Computing kpt #: 347 total cpu time spent up to now is 208.2 secs Computing kpt #: 348 total cpu time spent up to now is 209.0 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.5 secs Computing kpt #: 350 total cpu time spent up to now is 211.8 secs Computing kpt #: 351 total cpu time spent up to now is 212.4 secs Computing kpt #: 352 total cpu time spent up to now is 213.0 secs Computing kpt #: 353 total cpu time spent up to now is 213.8 secs Computing kpt #: 354 total cpu time spent up to now is 214.5 secs Computing kpt #: 355 total cpu time spent up to now is 215.2 secs Computing kpt #: 356 total cpu time spent up to now is 215.9 secs Computing kpt #: 357 total cpu time spent up to now is 216.4 secs Computing kpt #: 358 total cpu time spent up to now is 216.9 secs Computing kpt #: 359 total cpu time spent up to now is 217.4 secs Computing kpt #: 360 total cpu time spent up to now is 217.9 secs Computing kpt #: 361 total cpu time spent up to now is 218.4 secs Computing kpt #: 362 total cpu time spent up to now is 218.9 secs Computing kpt #: 363 total cpu time spent up to now is 219.4 secs Computing kpt #: 364 total cpu time spent up to now is 219.8 secs Computing kpt #: 365 total cpu time spent up to now is 220.3 secs Computing kpt #: 366 total cpu time spent up to now is 220.7 secs Computing kpt #: 367 total cpu time spent up to now is 221.2 secs Computing kpt #: 368 total cpu time spent up to now is 221.7 secs Computing kpt #: 369 total cpu time spent up to now is 222.1 secs Computing kpt #: 370 total cpu time spent up to now is 222.6 secs Computing kpt #: 371 total cpu time spent up to now is 223.1 secs Computing kpt #: 372 total cpu time spent up to now is 223.5 secs Computing kpt #: 373 total cpu time spent up to now is 224.0 secs Computing kpt #: 374 total cpu time spent up to now is 224.5 secs Computing kpt #: 375 total cpu time spent up to now is 225.0 secs Computing kpt #: 376 total cpu time spent up to now is 225.6 secs Computing kpt #: 377 total cpu time spent up to now is 226.1 secs Computing kpt #: 378 total cpu time spent up to now is 226.6 secs Computing kpt #: 379 total cpu time spent up to now is 227.1 secs Computing kpt #: 380 total cpu time spent up to now is 227.6 secs Computing kpt #: 381 total cpu time spent up to now is 228.1 secs Computing kpt #: 382 total cpu time spent up to now is 228.6 secs Computing kpt #: 383 total cpu time spent up to now is 229.0 secs Computing kpt #: 384 total cpu time spent up to now is 229.5 secs Computing kpt #: 385 total cpu time spent up to now is 230.1 secs Computing kpt #: 386 total cpu time spent up to now is 230.6 secs Computing kpt #: 387 total cpu time spent up to now is 231.1 secs Computing kpt #: 388 total cpu time spent up to now is 231.6 secs Computing kpt #: 389 total cpu time spent up to now is 232.2 secs Computing kpt #: 390 total cpu time spent up to now is 232.7 secs Computing kpt #: 391 total cpu time spent up to now is 233.2 secs Computing kpt #: 392 total cpu time spent up to now is 233.7 secs Computing kpt #: 393 total cpu time spent up to now is 234.3 secs Computing kpt #: 394 total cpu time spent up to now is 234.8 secs Computing kpt #: 395 total cpu time spent up to now is 235.3 secs Computing kpt #: 396 total cpu time spent up to now is 235.8 secs Computing kpt #: 397 total cpu time spent up to now is 236.3 secs Computing kpt #: 398 total cpu time spent up to now is 236.8 secs ethr = 2.63E-08, avg # of iterations = 24.5 total cpu time spent up to now is 236.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7535 -3.7535 -2.0240 -2.0240 -0.9849 -0.9849 4.2725 4.2725 4.2729 4.2729 4.4318 4.4318 5.7468 5.7468 6.4061 6.4061 6.4069 6.4069 7.8211 7.8211 7.8215 7.8215 10.0730 10.0730 10.6542 10.6542 10.8597 10.8597 11.0822 11.0822 k = 0.0000 0.0106-0.0000 ( 6605 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7524 -3.7524 -2.0231 -2.0231 -0.9838 -0.9838 4.2655 4.2655 4.2740 4.2740 4.4329 4.4329 5.7403 5.7403 6.4063 6.4063 6.4075 6.4075 7.8075 7.8075 7.8226 7.8226 10.0785 10.0785 10.6622 10.6622 10.8650 10.8650 11.0845 11.0845 k = 0.0000 0.0213-0.0000 ( 6597 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7493 -3.7493 -2.0204 -2.0204 -0.9805 -0.9805 4.2443 4.2443 4.2777 4.2777 4.4359 4.4359 5.7210 5.7210 6.4061 6.4061 6.4099 6.4099 7.7671 7.7671 7.8266 7.8266 10.0947 10.0947 10.6826 10.6826 10.8837 10.8837 11.0905 11.0905 k = 0.0000 0.0319-0.0000 ( 6605 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7440 -3.7440 -2.0158 -2.0158 -0.9750 -0.9750 4.2099 4.2099 4.2839 4.2839 4.4404 4.4404 5.6891 5.6891 6.4059 6.4059 6.4142 6.4142 7.7024 7.7024 7.8332 7.8332 10.1203 10.1203 10.7055 10.7055 10.9228 10.9228 11.0980 11.0980 k = 0.0000 0.0426-0.0000 ( 6611 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7367 -3.7367 -2.0094 -2.0094 -0.9673 -0.9673 4.1630 4.1630 4.2926 4.2926 4.4461 4.4461 5.6451 5.6451 6.4058 6.4058 6.4201 6.4201 7.6168 7.6168 7.8424 7.8424 10.1536 10.1536 10.7220 10.7220 10.9873 10.9873 11.1037 11.1037 k = 0.0000 0.0532-0.0000 ( 6615 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7225 -91.7225 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6620 -91.6620 -91.6618 -91.6618 -3.7272 -3.7272 -2.0012 -2.0012 -0.9574 -0.9574 4.1047 4.1047 4.3038 4.3038 4.4529 4.4529 5.5896 5.5896 6.4060 6.4060 6.4277 6.4277 7.5139 7.5139 7.8543 7.8543 10.1919 10.1919 10.7304 10.7304 11.0745 11.0745 11.1047 11.1047 k = 0.0000 0.0638-0.0000 ( 6623 PWs) bands (ev): -91.7736 -91.7736 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6688 -91.6688 -91.6665 -91.6665 -91.6620 -91.6620 -91.6618 -91.6618 -3.7156 -3.7156 -1.9911 -1.9911 -0.9454 -0.9454 4.0357 4.0357 4.3174 4.3174 4.4607 4.4607 5.5234 5.5234 6.4065 6.4065 6.4370 6.4370 7.3972 7.3972 7.8688 7.8688 10.2320 10.2320 10.7338 10.7338 11.0991 11.0991 11.1766 11.1766 k = 0.0000 0.0745-0.0000 ( 6623 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6687 -91.6687 -91.6665 -91.6665 -91.6620 -91.6620 -91.6619 -91.6619 -3.7020 -3.7020 -1.9793 -1.9793 -0.9311 -0.9311 3.9571 3.9571 4.3335 4.3335 4.4693 4.4693 5.4473 5.4473 6.4076 6.4076 6.4478 6.4478 7.2700 7.2700 7.8859 7.8859 10.2704 10.2704 10.7355 10.7355 11.0860 11.0860 11.2869 11.2869 k = 0.0000 0.0851-0.0000 ( 6621 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6687 -91.6687 -91.6665 -91.6665 -91.6620 -91.6620 -91.6619 -91.6619 -3.6862 -3.6862 -1.9657 -1.9657 -0.9146 -0.9146 3.8698 3.8698 4.3521 4.3521 4.4788 4.4788 5.3623 5.3623 6.4092 6.4092 6.4602 6.4602 7.1348 7.1348 7.9057 7.9057 10.3033 10.3033 10.7384 10.7384 11.0658 11.0658 11.4021 11.4021 k = 0.0000 0.0957-0.0000 ( 6615 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7224 -91.7224 -91.7156 -91.7156 -91.6687 -91.6687 -91.6665 -91.6665 -91.6621 -91.6621 -91.6619 -91.6619 -3.6684 -3.6684 -1.9504 -1.9504 -0.8960 -0.8960 3.7749 3.7749 4.3730 4.3730 4.4890 4.4890 5.2695 5.2695 6.4113 6.4113 6.4741 6.4741 6.9939 6.9939 7.9281 7.9281 10.3271 10.3271 10.7447 10.7447 11.0389 11.0389 11.5220 11.5220 k = 0.0000 0.1064-0.0000 ( 6617 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6687 -91.6687 -91.6664 -91.6664 -91.6621 -91.6621 -91.6620 -91.6620 -3.6485 -3.6485 -1.9333 -1.9333 -0.8751 -0.8751 3.6732 3.6732 4.3965 4.3965 4.4997 4.4997 5.1698 5.1698 6.4139 6.4139 6.4895 6.4895 6.8491 6.8491 7.9531 7.9531 10.3396 10.3396 10.7558 10.7558 11.0060 11.0060 11.6488 11.6488 k = 0.0000 0.1170-0.0000 ( 6615 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7223 -91.7223 -91.7156 -91.7156 -91.6686 -91.6686 -91.6664 -91.6664 -91.6622 -91.6622 -91.6620 -91.6620 -3.6264 -3.6264 -1.9145 -1.9145 -0.8521 -0.8521 3.5659 3.5659 4.4223 4.4223 4.5107 4.5107 5.0640 5.0640 6.4171 6.4171 6.5062 6.5062 6.7021 6.7021 7.9806 7.9806 10.3403 10.3403 10.7721 10.7721 10.9677 10.9677 11.7847 11.7847 k = 0.0000 0.1277-0.0000 ( 6606 PWs) bands (ev): -91.7732 -91.7732 -91.7648 -91.7648 -91.7223 -91.7223 -91.7157 -91.7157 -91.6686 -91.6686 -91.6664 -91.6664 -91.6622 -91.6622 -91.6621 -91.6621 -3.6024 -3.6024 -1.8941 -1.8941 -0.8268 -0.8268 3.4536 3.4536 4.4505 4.4505 4.5215 4.5215 4.9531 4.9531 6.4207 6.4207 6.5243 6.5243 6.5543 6.5543 8.0108 8.0108 10.3300 10.3300 10.7926 10.7926 10.9245 10.9245 11.9312 11.9312 k = 0.0000 0.1383-0.0000 ( 6604 PWs) bands (ev): -91.7731 -91.7731 -91.7649 -91.7649 -91.7222 -91.7222 -91.7157 -91.7157 -91.6685 -91.6685 -91.6664 -91.6664 -91.6622 -91.6622 -91.6621 -91.6621 -3.5762 -3.5762 -1.8720 -1.8720 -0.7994 -0.7994 3.3373 3.3373 4.4811 4.4811 4.5319 4.5319 4.8379 4.8379 6.4068 6.4068 6.4247 6.4247 6.5436 6.5436 8.0436 8.0436 10.3105 10.3105 10.8161 10.8161 10.8768 10.8768 12.0884 12.0884 k = 0.0000 0.1489-0.0000 ( 6618 PWs) bands (ev): -91.7730 -91.7730 -91.7649 -91.7649 -91.7222 -91.7222 -91.7158 -91.7158 -91.6685 -91.6685 -91.6664 -91.6664 -91.6623 -91.6623 -91.6622 -91.6622 -3.5480 -3.5480 -1.8483 -1.8483 -0.7697 -0.7697 3.2177 3.2177 4.5141 4.5141 4.5410 4.5410 4.7190 4.7190 6.2612 6.2612 6.4291 6.4291 6.5640 6.5640 8.0789 8.0789 10.2838 10.2838 10.8250 10.8250 10.8416 10.8416 12.2561 12.2561 k = 0.0000 0.1596-0.0000 ( 6630 PWs) bands (ev): -91.7729 -91.7729 -91.7650 -91.7650 -91.7221 -91.7221 -91.7158 -91.7158 -91.6684 -91.6684 -91.6664 -91.6664 -91.6624 -91.6624 -91.6622 -91.6622 -3.5177 -3.5177 -1.8231 -1.8231 -0.7379 -0.7379 3.0954 3.0954 4.5481 4.5481 4.5494 4.5494 4.5972 4.5972 6.1186 6.1186 6.4338 6.4338 6.5855 6.5855 8.1167 8.1167 10.2513 10.2513 10.7695 10.7695 10.8682 10.8682 12.4335 12.4335 k = 0.0000 0.1702-0.0000 ( 6630 PWs) bands (ev): -91.7728 -91.7728 -91.7650 -91.7650 -91.7221 -91.7221 -91.7159 -91.7159 -91.6684 -91.6684 -91.6663 -91.6663 -91.6624 -91.6624 -91.6623 -91.6623 -3.4854 -3.4854 -1.7964 -1.7964 -0.7038 -0.7038 2.9712 2.9712 4.4730 4.4730 4.5520 4.5520 4.5870 4.5870 5.9809 5.9809 6.4387 6.4387 6.6079 6.6079 8.1571 8.1571 10.2144 10.2144 10.7105 10.7105 10.8956 10.8956 12.6198 12.6198 k = 0.0000 0.1809-0.0000 ( 6638 PWs) bands (ev): -91.7727 -91.7727 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6683 -91.6683 -91.6663 -91.6663 -91.6625 -91.6625 -91.6623 -91.6623 -3.4510 -3.4510 -1.7683 -1.7683 -0.6676 -0.6676 2.8457 2.8457 4.3469 4.3469 4.5509 4.5509 4.6269 4.6269 5.8499 5.8499 6.4439 6.4439 6.6311 6.6311 8.2001 8.2001 10.1740 10.1740 10.6485 10.6485 10.9235 10.9235 12.8140 12.8140 k = 0.0000 0.1915-0.0000 ( 6638 PWs) bands (ev): -91.7726 -91.7726 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6683 -91.6683 -91.6663 -91.6663 -91.6626 -91.6626 -91.6624 -91.6624 -3.4146 -3.4146 -1.7388 -1.7388 -0.6292 -0.6292 2.7192 2.7192 4.2194 4.2194 4.5427 4.5427 4.6690 4.6690 5.7282 5.7282 6.4491 6.4491 6.6550 6.6550 8.2455 8.2455 10.1309 10.1309 10.5838 10.5838 10.9519 10.9519 13.0234 13.0234 k = 0.0000 0.2021-0.0000 ( 6644 PWs) bands (ev): -91.7725 -91.7725 -91.7652 -91.7652 -91.7219 -91.7219 -91.7161 -91.7161 -91.6682 -91.6682 -91.6663 -91.6663 -91.6626 -91.6626 -91.6625 -91.6625 -3.3762 -3.3762 -1.7082 -1.7082 -0.5885 -0.5885 2.5924 2.5924 4.0908 4.0908 4.5246 4.5246 4.7134 4.7134 5.6187 5.6187 6.4544 6.4544 6.6793 6.6793 8.2934 8.2934 10.0857 10.0857 10.5167 10.5167 10.9808 10.9808 13.1080 13.1080 k = 0.0000 0.2128-0.0000 ( 6652 PWs) bands (ev): -91.7724 -91.7724 -91.7653 -91.7653 -91.7218 -91.7218 -91.7162 -91.7162 -91.6682 -91.6682 -91.6662 -91.6662 -91.6627 -91.6627 -91.6625 -91.6625 -3.3358 -3.3358 -1.6764 -1.6764 -0.5457 -0.5457 2.4658 2.4658 3.9617 3.9617 4.4935 4.4935 4.7599 4.7599 5.5248 5.5248 6.4597 6.4597 6.7039 6.7039 8.3438 8.3438 10.0388 10.0388 10.4476 10.4476 11.0103 11.0103 12.9905 12.9905 k = 0.0000 0.2234-0.0000 ( 6656 PWs) bands (ev): -91.7723 -91.7723 -91.7653 -91.7653 -91.7217 -91.7217 -91.7162 -91.7162 -91.6681 -91.6681 -91.6662 -91.6662 -91.6628 -91.6628 -91.6626 -91.6626 -3.2934 -3.2934 -1.6435 -1.6435 -0.5006 -0.5006 2.3397 2.3397 3.8323 3.8323 4.4467 4.4467 4.8086 4.8086 5.4492 5.4492 6.4649 6.4649 6.7287 6.7287 8.3966 8.3966 9.9907 9.9907 10.3769 10.3769 11.0404 11.0404 12.8567 12.8567 k = 0.0000 0.2340-0.0000 ( 6666 PWs) bands (ev): -91.7721 -91.7721 -91.7654 -91.7654 -91.7217 -91.7217 -91.7163 -91.7163 -91.6680 -91.6680 -91.6662 -91.6662 -91.6629 -91.6629 -91.6627 -91.6627 -3.2491 -3.2491 -1.6099 -1.6099 -0.4534 -0.4534 2.2146 2.2146 3.7028 3.7028 4.3827 4.3827 4.8593 4.8593 5.3937 5.3937 6.4699 6.4699 6.7533 6.7533 8.4518 8.4518 9.9418 9.9418 10.3048 10.3048 11.0712 11.0712 12.7227 12.7227 k = 0.0000 0.2447-0.0000 ( 6654 PWs) bands (ev): -91.7720 -91.7720 -91.7655 -91.7655 -91.7216 -91.7216 -91.7164 -91.7164 -91.6679 -91.6679 -91.6662 -91.6662 -91.6629 -91.6629 -91.6628 -91.6628 -3.2028 -3.2028 -1.5755 -1.5755 -0.4040 -0.4040 2.0909 2.0909 3.5736 3.5736 4.3019 4.3019 4.9121 4.9121 5.3577 5.3577 6.4746 6.4746 6.7776 6.7776 8.5093 8.5093 9.8922 9.8922 10.2319 10.2319 11.1029 11.1029 12.5895 12.5895 k = 0.0000 0.2553-0.0000 ( 6650 PWs) bands (ev): -91.7719 -91.7719 -91.7655 -91.7655 -91.7215 -91.7215 -91.7165 -91.7165 -91.6679 -91.6679 -91.6661 -91.6661 -91.6630 -91.6630 -91.6628 -91.6628 -3.1545 -3.1545 -1.5406 -1.5406 -0.3524 -0.3524 1.9691 1.9691 3.4449 3.4449 4.2066 4.2066 4.9668 4.9668 5.3391 5.3391 6.4789 6.4789 6.8014 6.8014 8.5692 8.5692 9.8424 9.8424 10.1584 10.1584 11.1353 11.1353 12.4576 12.4576 k = 0.0000 0.2660-0.0000 ( 6654 PWs) bands (ev): -91.7717 -91.7717 -91.7656 -91.7656 -91.7214 -91.7214 -91.7166 -91.7166 -91.6678 -91.6678 -91.6661 -91.6661 -91.6631 -91.6631 -91.6629 -91.6629 -3.1044 -3.1044 -1.5055 -1.5055 -0.2985 -0.2985 1.8495 1.8495 3.3169 3.3169 4.0999 4.0999 5.0235 5.0235 5.3350 5.3350 6.4827 6.4827 6.8242 6.8242 8.6314 8.6314 9.7925 9.7925 10.0848 10.0848 11.1687 11.1687 12.3277 12.3277 k = 0.0000 0.2766-0.0000 ( 6642 PWs) bands (ev): -91.7716 -91.7716 -91.7657 -91.7657 -91.7213 -91.7213 -91.7167 -91.7167 -91.6677 -91.6677 -91.6661 -91.6661 -91.6632 -91.6632 -91.6630 -91.6630 -3.0524 -3.0524 -1.4705 -1.4705 -0.2425 -0.2425 1.7327 1.7327 3.1899 3.1899 3.9849 3.9849 5.0820 5.0820 5.3421 5.3421 6.4859 6.4859 6.8459 6.8459 8.6959 8.6959 9.7428 9.7428 10.0114 10.0114 11.2030 11.2030 12.2004 12.2004 k = 0.0000 0.2872-0.0000 ( 6648 PWs) bands (ev): -91.7714 -91.7714 -91.7658 -91.7658 -91.7212 -91.7212 -91.7168 -91.7168 -91.6676 -91.6676 -91.6660 -91.6660 -91.6633 -91.6633 -91.6631 -91.6631 -2.9985 -2.9985 -1.4358 -1.4358 -0.1843 -0.1843 1.6192 1.6192 3.0639 3.0639 3.8641 3.8641 5.1423 5.1423 5.3580 5.3580 6.4884 6.4884 6.8661 6.8661 8.7625 8.7625 9.6934 9.6934 9.9385 9.9385 11.2383 11.2383 12.0763 12.0763 k = 0.0000 0.2979-0.0000 ( 6652 PWs) bands (ev): -91.7713 -91.7713 -91.7659 -91.7659 -91.7211 -91.7211 -91.7169 -91.7169 -91.6675 -91.6675 -91.6660 -91.6660 -91.6634 -91.6634 -91.6632 -91.6632 -2.9428 -2.9428 -1.4019 -1.4019 -0.1240 -0.1240 1.5094 1.5094 2.9392 2.9392 3.7394 3.7394 5.2044 5.2044 5.3807 5.3807 6.4899 6.4899 6.8845 6.8845 8.8313 8.8313 9.6447 9.6447 9.8665 9.8665 11.2746 11.2746 11.9559 11.9559 k = 0.0000 0.3085-0.0000 ( 6644 PWs) bands (ev): -91.7711 -91.7711 -91.7660 -91.7660 -91.7210 -91.7210 -91.7170 -91.7170 -91.6674 -91.6674 -91.6659 -91.6659 -91.6635 -91.6635 -91.6632 -91.6632 -2.8853 -2.8853 -1.3692 -1.3692 -0.0614 -0.0614 1.4039 1.4039 2.8159 2.8159 3.6125 3.6125 5.2680 5.2680 5.4086 5.4086 6.4904 6.4904 6.9007 6.9007 8.9022 8.9022 9.5967 9.5967 9.7959 9.7959 11.3120 11.3120 11.8395 11.8395 k = 0.0000 0.3191-0.0000 ( 6648 PWs) bands (ev): -91.7710 -91.7710 -91.7661 -91.7661 -91.7209 -91.7209 -91.7171 -91.7171 -91.6674 -91.6674 -91.6659 -91.6659 -91.6636 -91.6636 -91.6633 -91.6633 -2.8261 -2.8261 -1.3382 -1.3382 0.0033 0.0033 1.3035 1.3035 2.6943 2.6943 3.4842 3.4842 5.3331 5.3331 5.4408 5.4408 6.4898 6.4898 6.9144 6.9144 8.9751 8.9751 9.5498 9.5498 9.7269 9.7269 11.3504 11.3504 11.7275 11.7275 k = 0.0000 0.3298-0.0000 ( 6650 PWs) bands (ev): -91.7708 -91.7708 -91.7662 -91.7662 -91.7208 -91.7208 -91.7172 -91.7172 -91.6673 -91.6673 -91.6658 -91.6658 -91.6637 -91.6637 -91.6634 -91.6634 -2.7653 -2.7653 -1.3097 -1.3097 0.0702 0.0702 1.2088 1.2088 2.5744 2.5744 3.3556 3.3556 5.3996 5.3996 5.4762 5.4762 6.4878 6.4878 6.9251 6.9251 9.0500 9.0500 9.5040 9.5040 9.6599 9.6599 11.3899 11.3899 11.6203 11.6203 k = 0.0000 0.3404-0.0000 ( 6658 PWs) bands (ev): -91.7707 -91.7707 -91.7663 -91.7663 -91.7207 -91.7207 -91.7173 -91.7173 -91.6672 -91.6672 -91.6658 -91.6658 -91.6638 -91.6638 -91.6635 -91.6635 -2.7028 -2.7028 -1.2842 -1.2842 0.1392 0.1392 1.1205 1.1205 2.4564 2.4564 3.2270 3.2270 5.4674 5.4674 5.5144 5.5144 6.4843 6.4843 6.9326 6.9326 9.1266 9.1266 9.4595 9.4595 9.5952 9.5952 11.4304 11.4304 11.5182 11.5182 k = 0.0000 0.3511-0.0000 ( 6660 PWs) bands (ev): -91.7705 -91.7705 -91.7664 -91.7664 -91.7206 -91.7206 -91.7174 -91.7174 -91.6671 -91.6671 -91.6658 -91.6658 -91.6639 -91.6639 -91.6636 -91.6636 -2.6387 -2.6387 -1.2627 -1.2627 0.2103 0.2103 1.0397 1.0397 2.3404 2.3404 3.0990 3.0990 5.5363 5.5363 5.5547 5.5547 6.4791 6.4791 6.9364 6.9364 9.2050 9.2050 9.4166 9.4166 9.5333 9.5333 11.4211 11.4211 11.4721 11.4721 k = 0.0000 0.3617-0.0000 ( 6652 PWs) bands (ev): -91.7704 -91.7704 -91.7665 -91.7665 -91.7205 -91.7205 -91.7175 -91.7175 -91.6670 -91.6670 -91.6657 -91.6657 -91.6640 -91.6640 -91.6637 -91.6637 -2.5731 -2.5731 -1.2458 -1.2458 0.2835 0.2835 0.9671 0.9671 2.2268 2.2268 2.9719 2.9719 5.5967 5.5967 5.6062 5.6062 6.4721 6.4721 6.9363 6.9363 9.2851 9.2851 9.3754 9.3754 9.4743 9.4743 11.3292 11.3292 11.5149 11.5149 k = 0.0000 0.3723-0.0000 ( 6650 PWs) bands (ev): -91.7702 -91.7702 -91.7666 -91.7666 -91.7204 -91.7204 -91.7176 -91.7176 -91.6669 -91.6669 -91.6656 -91.6656 -91.6641 -91.6641 -91.6638 -91.6638 -2.5062 -2.5062 -1.2346 -1.2346 0.3587 0.3587 0.9037 0.9037 2.1155 2.1155 2.8460 2.8460 5.6401 5.6401 5.6770 5.6770 6.4631 6.4631 6.9318 6.9318 9.3361 9.3361 9.3666 9.3666 9.4187 9.4187 11.2423 11.2423 11.5587 11.5587 k = 0.0000 0.3830-0.0000 ( 6646 PWs) bands (ev): -91.7700 -91.7700 -91.7668 -91.7668 -91.7203 -91.7203 -91.7177 -91.7177 -91.6668 -91.6668 -91.6656 -91.6656 -91.6642 -91.6642 -91.6638 -91.6638 -2.4379 -2.4379 -1.2299 -1.2299 0.4359 0.4359 0.8505 0.8505 2.0069 2.0069 2.7215 2.7215 5.6846 5.6846 5.7485 5.7485 6.4520 6.4520 6.9228 6.9228 9.2989 9.2989 9.3666 9.3666 9.4494 9.4494 11.1603 11.1603 11.6037 11.6037 k = 0.0000 0.3936-0.0000 ( 6644 PWs) bands (ev): -91.7699 -91.7699 -91.7669 -91.7669 -91.7202 -91.7202 -91.7178 -91.7178 -91.6667 -91.6667 -91.6655 -91.6655 -91.6643 -91.6643 -91.6639 -91.6639 -2.3685 -2.3685 -1.2324 -1.2324 0.5150 0.5150 0.8081 0.8081 1.9012 1.9012 2.5985 2.5985 5.7299 5.7299 5.8204 5.8204 6.4387 6.4387 6.9089 6.9089 9.2639 9.2639 9.3184 9.3184 9.5334 9.5334 11.0826 11.0826 11.6497 11.6497 k = 0.0000 0.4043-0.0000 ( 6664 PWs) bands (ev): -91.7697 -91.7697 -91.7670 -91.7670 -91.7200 -91.7200 -91.7179 -91.7179 -91.6666 -91.6666 -91.6655 -91.6655 -91.6644 -91.6644 -91.6640 -91.6640 -2.2980 -2.2980 -1.2426 -1.2426 0.5958 0.5958 0.7772 0.7772 1.7987 1.7987 2.4772 2.4772 5.7757 5.7757 5.8925 5.8925 6.4229 6.4229 6.8902 6.8902 9.2314 9.2314 9.2743 9.2743 9.6184 9.6184 11.0088 11.0088 11.6968 11.6968 k = 0.0000 0.4149-0.0000 ( 6664 PWs) bands (ev): -91.7696 -91.7696 -91.7671 -91.7671 -91.7199 -91.7199 -91.7180 -91.7180 -91.6665 -91.6665 -91.6655 -91.6655 -91.6645 -91.6645 -91.6641 -91.6641 -2.2266 -2.2266 -1.2610 -1.2610 0.6781 0.6781 0.7581 0.7581 1.6999 1.6999 2.3578 2.3578 5.8217 5.8217 5.9647 5.9647 6.4047 6.4047 6.8664 6.8664 9.2016 9.2016 9.2345 9.2345 9.7040 9.7040 10.9381 10.9381 11.7450 11.7450 k = 0.0000 0.4255-0.0000 ( 6632 PWs) bands (ev): -91.7694 -91.7694 -91.7673 -91.7673 -91.7198 -91.7198 -91.7181 -91.7181 -91.6663 -91.6663 -91.6654 -91.6654 -91.6646 -91.6646 -91.6642 -91.6642 -2.1545 -2.1545 -1.2875 -1.2875 0.7509 0.7509 0.7615 0.7615 1.6054 1.6054 2.2403 2.2403 5.8677 5.8677 6.0367 6.0367 6.3840 6.3840 6.8376 6.8376 9.1746 9.1746 9.1992 9.1992 9.7901 9.7901 10.8696 10.8696 11.7942 11.7942 k = 0.0000 0.4362-0.0000 ( 6640 PWs) bands (ev): -91.7692 -91.7692 -91.7674 -91.7674 -91.7197 -91.7197 -91.7183 -91.7183 -91.6662 -91.6662 -91.6654 -91.6654 -91.6647 -91.6647 -91.6643 -91.6643 -2.0819 -2.0819 -1.3218 -1.3218 0.7551 0.7551 0.8449 0.8449 1.5163 1.5163 2.1249 2.1249 5.9135 5.9135 6.1082 6.1082 6.3607 6.3607 6.8038 6.8038 9.1506 9.1506 9.1685 9.1685 9.8764 9.8764 10.8022 10.8022 11.8444 11.8444 k = 0.0000 0.4468-0.0000 ( 6644 PWs) bands (ev): -91.7691 -91.7691 -91.7676 -91.7676 -91.7196 -91.7196 -91.7184 -91.7184 -91.6661 -91.6661 -91.6654 -91.6654 -91.6647 -91.6647 -91.6643 -91.6643 -2.0091 -2.0091 -1.3635 -1.3635 0.7703 0.7703 0.9264 0.9264 1.4351 1.4351 2.0117 2.0117 5.9588 5.9588 6.1789 6.1789 6.3348 6.3348 6.7652 6.7652 9.1299 9.1299 9.1424 9.1424 9.9624 9.9624 10.7351 10.7351 11.8956 11.8956 k = 0.0000 0.4574-0.0000 ( 6654 PWs) bands (ev): -91.7689 -91.7689 -91.7677 -91.7677 -91.7195 -91.7195 -91.7185 -91.7185 -91.6660 -91.6660 -91.6654 -91.6654 -91.6648 -91.6648 -91.6644 -91.6644 -1.9363 -1.9363 -1.4117 -1.4117 0.7955 0.7955 1.0006 1.0006 1.3673 1.3673 1.9009 1.9009 6.0034 6.0034 6.2485 6.2485 6.3064 6.3064 6.7219 6.7219 9.1127 9.1127 9.1210 9.1210 10.0478 10.0478 10.6672 10.6672 11.9478 11.9478 k = 0.0000 0.4681-0.0000 ( 6650 PWs) bands (ev): -91.7688 -91.7688 -91.7678 -91.7678 -91.7193 -91.7193 -91.7186 -91.7186 -91.6659 -91.6659 -91.6654 -91.6654 -91.6648 -91.6648 -91.6645 -91.6645 -1.8638 -1.8638 -1.4657 -1.4657 0.8298 0.8298 1.0523 1.0523 1.3285 1.3285 1.7928 1.7928 6.0470 6.0470 6.2756 6.2756 6.3166 6.3166 6.6743 6.6743 9.0991 9.0991 9.1043 9.1043 10.1323 10.1323 10.5978 10.5978 12.0008 12.0008 k = 0.0000 0.4787-0.0000 ( 6656 PWs) bands (ev): -91.7686 -91.7686 -91.7680 -91.7680 -91.7192 -91.7192 -91.7187 -91.7187 -91.6658 -91.6658 -91.6655 -91.6655 -91.6648 -91.6648 -91.6646 -91.6646 -1.7922 -1.7922 -1.5245 -1.5245 0.8718 0.8718 1.0575 1.0575 1.3431 1.3431 1.6878 1.6878 6.0894 6.0894 6.2424 6.2424 6.3830 6.3830 6.6227 6.6227 9.0893 9.0893 9.0924 9.0924 10.2154 10.2154 10.5263 10.5263 12.0547 12.0547 k = 0.0000 0.4894-0.0000 ( 6650 PWs) bands (ev): -91.7684 -91.7684 -91.7681 -91.7681 -91.7191 -91.7191 -91.7189 -91.7189 -91.6657 -91.6657 -91.6655 -91.6655 -91.6647 -91.6647 -91.6646 -91.6646 -1.7219 -1.7219 -1.5873 -1.5873 0.9200 0.9200 1.0220 1.0220 1.4058 1.4058 1.5866 1.5866 6.1303 6.1303 6.2070 6.2070 6.4471 6.4471 6.5674 6.5674 9.0836 9.0836 9.0850 9.0850 10.2966 10.2966 10.4522 10.4522 12.1094 12.1094 k = 0.0000 0.5000-0.0000 ( 6646 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6534 -1.6534 -1.6534 -1.6534 0.9718 0.9718 0.9718 0.9718 1.4912 1.4912 1.4912 1.4912 6.1696 6.1696 6.1696 6.1696 6.5087 6.5087 6.5087 6.5087 9.0821 9.0821 9.0821 9.0821 10.3756 10.3756 10.3756 10.3756 12.1441 12.1441 k = 0.0000 0.5000-0.0000 ( 6646 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6534 -1.6534 -1.6534 -1.6534 0.9718 0.9718 0.9718 0.9718 1.4912 1.4912 1.4912 1.4912 6.1696 6.1696 6.1696 6.1696 6.5087 6.5087 6.5087 6.5087 9.0821 9.0821 9.0821 9.0821 10.3756 10.3756 10.3756 10.3756 12.1441 12.1441 k = 0.0106 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6525 -1.6525 -1.6525 -1.6525 0.9728 0.9728 0.9728 0.9728 1.4922 1.4922 1.4922 1.4922 6.1648 6.1648 6.1649 6.1649 6.5065 6.5065 6.5067 6.5067 9.0729 9.0729 9.0729 9.0729 10.3797 10.3797 10.3797 10.3797 12.0625 12.0626 k = 0.0213 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6498 -1.6498 -1.6498 -1.6498 0.9758 0.9758 0.9758 0.9758 1.4951 1.4951 1.4951 1.4951 6.1504 6.1504 6.1507 6.1507 6.5001 6.5001 6.5004 6.5004 9.0457 9.0457 9.0457 9.0457 10.3915 10.3915 10.3915 10.3915 11.9770 11.9772 k = 0.0319 0.5000-0.0000 ( 6644 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6453 -1.6453 -1.6453 -1.6453 0.9807 0.9807 0.9807 0.9807 1.5000 1.5000 1.5000 1.5000 6.1265 6.1265 6.1269 6.1269 6.4897 6.4897 6.4902 6.4902 9.0019 9.0019 9.0019 9.0019 10.4095 10.4095 10.4096 10.4096 11.8973 11.8975 k = 0.0426 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6390 -1.6390 -1.6390 -1.6390 0.9877 0.9877 0.9877 0.9877 1.5069 1.5069 1.5069 1.5069 6.0932 6.0932 6.0937 6.0937 6.4756 6.4756 6.4762 6.4762 8.9432 8.9432 8.9432 8.9432 10.4319 10.4319 10.4320 10.4320 11.8239 11.8239 k = 0.0532 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6309 -1.6309 -1.6309 -1.6309 0.9966 0.9966 0.9966 0.9966 1.5157 1.5157 1.5157 1.5157 6.0508 6.0508 6.0514 6.0514 6.4579 6.4579 6.4586 6.4586 8.8716 8.8716 8.8716 8.8716 10.4565 10.4565 10.4566 10.4566 11.7573 11.7575 k = 0.0638 0.5000-0.0000 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6211 -1.6211 -1.6211 -1.6211 1.0075 1.0075 1.0075 1.0075 1.5265 1.5265 1.5265 1.5265 5.9995 5.9995 6.0002 6.0002 6.4369 6.4369 6.4376 6.4376 8.7890 8.7890 8.7890 8.7890 10.4811 10.4811 10.4812 10.4812 11.6984 11.6985 k = 0.0745 0.5000-0.0000 ( 6670 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6094 -1.6094 -1.6094 -1.6094 1.0203 1.0203 1.0203 1.0203 1.5392 1.5392 1.5393 1.5393 5.9400 5.9400 5.9406 5.9406 6.4127 6.4127 6.4135 6.4135 8.6971 8.6971 8.6971 8.6971 10.5038 10.5038 10.5039 10.5039 11.6480 11.6482 k = 0.0851 0.5000-0.0000 ( 6674 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.5961 -1.5961 -1.5961 -1.5961 1.0351 1.0351 1.0351 1.0351 1.5539 1.5539 1.5540 1.5540 5.8727 5.8727 5.8734 5.8734 6.3854 6.3854 6.3861 6.3861 8.5973 8.5973 8.5974 8.5974 10.5229 10.5229 10.5230 10.5230 11.6070 11.6070 k = 0.0957 0.5000-0.0000 ( 6670 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.5809 -1.5809 -1.5809 -1.5809 1.0518 1.0518 1.0518 1.0518 1.5706 1.5706 1.5706 1.5706 5.7984 5.7984 5.7991 5.7991 6.3548 6.3548 6.3556 6.3556 8.4910 8.4910 8.4910 8.4910 10.5373 10.5373 10.5374 10.5374 11.5760 11.5760 k = 0.1064 0.5000-0.0000 ( 6672 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.5641 -1.5641 -1.5641 -1.5641 1.0704 1.0704 1.0704 1.0704 1.5892 1.5892 1.5892 1.5892 5.7179 5.7179 5.7185 5.7185 6.3211 6.3211 6.3218 6.3218 8.3791 8.3791 8.3791 8.3791 10.5463 10.5463 10.5464 10.5464 11.5554 11.5555 k = 0.1170 0.5000-0.0000 ( 6660 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.5455 -1.5455 -1.5455 -1.5455 1.0909 1.0909 1.0909 1.0909 1.6097 1.6097 1.6098 1.6098 5.6318 5.6318 5.6324 5.6324 6.2841 6.2841 6.2848 6.2848 8.2625 8.2625 8.2625 8.2625 10.5498 10.5498 10.5500 10.5500 11.5451 11.5451 k = 0.1277 0.5000-0.0000 ( 6668 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.5253 -1.5253 -1.5253 -1.5253 1.1132 1.1132 1.1132 1.1132 1.6322 1.6322 1.6323 1.6323 5.5409 5.5409 5.5414 5.5414 6.2438 6.2438 6.2445 6.2445 8.1419 8.1419 8.1420 8.1420 10.5484 10.5484 10.5486 10.5486 11.5444 11.5445 k = 0.1383 0.5000-0.0000 ( 6672 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.5033 -1.5033 -1.5033 -1.5033 1.1373 1.1373 1.1374 1.1374 1.6566 1.6566 1.6567 1.6567 5.4459 5.4459 5.4464 5.4464 6.2001 6.2001 6.2008 6.2008 8.0181 8.0181 8.0181 8.0181 10.5430 10.5430 10.5431 10.5431 11.5526 11.5526 k = 0.1489 0.5000-0.0000 ( 6672 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6648 -91.6648 -91.6648 -91.6648 -1.4798 -1.4798 -1.4798 -1.4798 1.1632 1.1632 1.1633 1.1633 1.6830 1.6830 1.6830 1.6830 5.3475 5.3475 5.3480 5.3480 6.1531 6.1531 6.1538 6.1538 7.8915 7.8915 7.8916 7.8916 10.5347 10.5347 10.5349 10.5349 11.5684 11.5684 k = 0.1596 0.5000-0.0000 ( 6672 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6649 -91.6649 -91.6649 -91.6649 -1.4546 -1.4546 -1.4546 -1.4546 1.1909 1.1909 1.1909 1.1909 1.7113 1.7113 1.7113 1.7113 5.2463 5.2463 5.2468 5.2468 6.1028 6.1028 6.1034 6.1034 7.7627 7.7627 7.7628 7.7628 10.5250 10.5250 10.5252 10.5252 11.5905 11.5906 k = 0.1702 0.5000-0.0000 ( 6664 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6649 -91.6649 -91.6649 -91.6649 -1.4279 -1.4279 -1.4279 -1.4279 1.2202 1.2202 1.2202 1.2202 1.7414 1.7414 1.7415 1.7415 5.1430 5.1430 5.1435 5.1435 6.0491 6.0491 6.0497 6.0497 7.6322 7.6322 7.6322 7.6322 10.5152 10.5152 10.5153 10.5153 11.6180 11.6180 k = 0.1809 0.5000-0.0000 ( 6664 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6649 -91.6649 -91.6649 -91.6649 -1.3996 -1.3996 -1.3996 -1.3996 1.2511 1.2511 1.2512 1.2512 1.7735 1.7735 1.7736 1.7736 5.0381 5.0381 5.0386 5.0386 5.9921 5.9921 5.9927 5.9927 7.5002 7.5002 7.5002 7.5002 10.5062 10.5062 10.5063 10.5063 11.6496 11.6496 k = 0.1915 0.5000-0.0000 ( 6654 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6649 -91.6649 -91.6649 -91.6649 -1.3698 -1.3698 -1.3698 -1.3698 1.2836 1.2836 1.2836 1.2836 1.8075 1.8075 1.8076 1.8076 4.9323 4.9323 4.9327 4.9327 5.9319 5.9319 5.9325 5.9325 7.3672 7.3672 7.3672 7.3672 10.4990 10.4990 10.4991 10.4991 11.6846 11.6846 k = 0.2021 0.5000-0.0000 ( 6650 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6650 -91.6650 -91.6650 -91.6650 -1.3386 -1.3386 -1.3386 -1.3386 1.3176 1.3176 1.3176 1.3176 1.8434 1.8434 1.8435 1.8435 4.8259 4.8259 4.8262 4.8262 5.8687 5.8687 5.8692 5.8692 7.2334 7.2334 7.2335 7.2335 10.4943 10.4943 10.4945 10.4945 11.7223 11.7223 k = 0.2128 0.5000-0.0000 ( 6650 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6650 -91.6650 -91.6650 -91.6650 -1.3060 -1.3060 -1.3059 -1.3059 1.3529 1.3529 1.3529 1.3529 1.8812 1.8812 1.8812 1.8812 4.7195 4.7195 4.7198 4.7198 5.8025 5.8025 5.8029 5.8029 7.0992 7.0992 7.0993 7.0993 10.4928 10.4928 10.4929 10.4929 11.7621 11.7621 k = 0.2234 0.5000-0.0000 ( 6654 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6650 -91.6650 -91.6650 -91.6650 -1.2720 -1.2720 -1.2720 -1.2720 1.3895 1.3895 1.3895 1.3895 1.9208 1.9208 1.9209 1.9209 4.6136 4.6136 4.6139 4.6139 5.7334 5.7334 5.7339 5.7339 6.9649 6.9649 6.9649 6.9649 10.4947 10.4947 10.4949 10.4949 11.8036 11.8036 k = 0.2340 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6650 -91.6650 -91.6650 -91.6650 -1.2368 -1.2368 -1.2367 -1.2367 1.4272 1.4272 1.4272 1.4272 1.9623 1.9623 1.9623 1.9623 4.5086 4.5086 4.5089 4.5089 5.6618 5.6618 5.6621 5.6621 6.8306 6.8306 6.8306 6.8306 10.5005 10.5005 10.5007 10.5007 11.8464 11.8465 k = 0.2447 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.2003 -1.2003 -1.2003 -1.2003 1.4658 1.4658 1.4659 1.4659 2.0056 2.0056 2.0057 2.0057 4.4051 4.4051 4.4054 4.4054 5.5876 5.5876 5.5880 5.5880 6.6966 6.6966 6.6966 6.6966 10.5103 10.5103 10.5105 10.5105 11.8904 11.8904 k = 0.2553 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.1628 -1.1628 -1.1628 -1.1628 1.5053 1.5053 1.5053 1.5053 2.0507 2.0507 2.0508 2.0508 4.3035 4.3035 4.3037 4.3037 5.5112 5.5112 5.5115 5.5115 6.5631 6.5631 6.5631 6.5631 10.5242 10.5242 10.5244 10.5244 11.9352 11.9352 k = 0.2660 0.5000-0.0000 ( 6644 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.1242 -1.1242 -1.1242 -1.1242 1.5453 1.5453 1.5453 1.5453 2.0977 2.0977 2.0977 2.0977 4.2043 4.2043 4.2045 4.2045 5.4327 5.4327 5.4330 5.4330 6.4302 6.4302 6.4303 6.4303 10.5423 10.5423 10.5425 10.5425 11.9807 11.9807 k = 0.2766 0.5000-0.0000 ( 6642 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.0847 -1.0847 -1.0847 -1.0847 1.5856 1.5856 1.5857 1.5857 2.1464 2.1464 2.1465 2.1465 4.1081 4.1081 4.1083 4.1083 5.3523 5.3523 5.3526 5.3526 6.2982 6.2982 6.2983 6.2983 10.5646 10.5646 10.5648 10.5648 12.0267 12.0268 k = 0.2872 0.5000-0.0000 ( 6646 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6652 -91.6652 -91.6652 -91.6652 -1.0444 -1.0444 -1.0444 -1.0444 1.6260 1.6260 1.6260 1.6260 2.1968 2.1968 2.1969 2.1969 4.0154 4.0154 4.0156 4.0156 5.2703 5.2703 5.2706 5.2706 6.1672 6.1672 6.1673 6.1673 10.5910 10.5910 10.5912 10.5912 12.0731 12.0732 k = 0.2979 0.5000-0.0000 ( 6642 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6652 -91.6652 -91.6652 -91.6652 -1.0034 -1.0034 -1.0034 -1.0034 1.6659 1.6659 1.6659 1.6659 2.2490 2.2490 2.2491 2.2491 3.9269 3.9269 3.9270 3.9270 5.1869 5.1869 5.1871 5.1871 6.0374 6.0374 6.0374 6.0374 10.6215 10.6215 10.6217 10.6217 12.1198 12.1199 k = 0.3085 0.5000-0.0000 ( 6636 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6652 -91.6652 -91.6652 -91.6652 -0.9619 -0.9619 -0.9619 -0.9619 1.7051 1.7051 1.7051 1.7051 2.3029 2.3029 2.3030 2.3030 3.8432 3.8432 3.8433 3.8433 5.1021 5.1021 5.1024 5.1024 5.9088 5.9088 5.9089 5.9089 10.6560 10.6560 10.6562 10.6562 12.1666 12.1666 k = 0.3191 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6652 -91.6652 -91.6652 -91.6652 -0.9200 -0.9200 -0.9200 -0.9200 1.7429 1.7429 1.7429 1.7429 2.3584 2.3584 2.3585 2.3585 3.7651 3.7651 3.7652 3.7652 5.0164 5.0164 5.0166 5.0166 5.7818 5.7818 5.7818 5.7818 10.6943 10.6943 10.6945 10.6945 12.2133 12.2133 k = 0.3298 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6653 -91.6653 -91.6653 -91.6653 -0.8780 -0.8780 -0.8780 -0.8780 1.7789 1.7789 1.7789 1.7789 2.4156 2.4156 2.4157 2.4157 3.6934 3.6934 3.6935 3.6935 4.9298 4.9298 4.9300 4.9300 5.6563 5.6563 5.6563 5.6563 10.7364 10.7364 10.7366 10.7366 12.2598 12.2599 k = 0.3404 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6653 -91.6653 -91.6653 -91.6653 -0.8359 -0.8359 -0.8359 -0.8359 1.8124 1.8124 1.8125 1.8125 2.4743 2.4743 2.4744 2.4744 3.6290 3.6290 3.6291 3.6291 4.8426 4.8426 4.8427 4.8427 5.5325 5.5325 5.5326 5.5326 10.7820 10.7820 10.7821 10.7821 12.3059 12.3060 k = 0.3511 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6653 -91.6653 -91.6653 -91.6653 -0.7942 -0.7942 -0.7941 -0.7941 1.8428 1.8428 1.8428 1.8428 2.5345 2.5345 2.5346 2.5346 3.5729 3.5729 3.5730 3.5730 4.7549 4.7549 4.7550 4.7550 5.4106 5.4106 5.4107 5.4107 10.8309 10.8309 10.8311 10.8311 12.3514 12.3514 k = 0.3617 0.5000-0.0000 ( 6664 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6653 -91.6653 -91.6653 -91.6653 -0.7529 -0.7529 -0.7529 -0.7529 1.8693 1.8693 1.8693 1.8693 2.5961 2.5961 2.5962 2.5962 3.5259 3.5259 3.5260 3.5260 4.6669 4.6669 4.6671 4.6671 5.2907 5.2907 5.2908 5.2908 10.8830 10.8830 10.8831 10.8831 12.3959 12.3960 k = 0.3723 0.5000-0.0000 ( 6668 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.7124 -0.7124 -0.7124 -0.7124 1.8914 1.8914 1.8914 1.8914 2.6591 2.6591 2.6592 2.6592 3.4890 3.4890 3.4891 3.4891 4.5789 4.5789 4.5790 4.5790 5.1730 5.1730 5.1731 5.1731 10.9379 10.9379 10.9380 10.9380 12.4391 12.4392 k = 0.3830 0.5000-0.0000 ( 6668 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.6730 -0.6730 -0.6730 -0.6730 1.9087 1.9087 1.9087 1.9087 2.7234 2.7234 2.7235 2.7235 3.4629 3.4629 3.4630 3.4630 4.4910 4.4910 4.4911 4.4911 5.0576 5.0576 5.0577 5.0577 10.9953 10.9953 10.9955 10.9955 12.4807 12.4807 k = 0.3936 0.5000-0.0000 ( 6672 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.6351 -0.6351 -0.6351 -0.6351 1.9208 1.9208 1.9208 1.9208 2.7889 2.7889 2.7890 2.7890 3.4481 3.4481 3.4481 3.4481 4.4035 4.4035 4.4036 4.4036 4.9448 4.9448 4.9448 4.9448 11.0549 11.0549 11.0551 11.0551 12.5199 12.5200 k = 0.4043 0.5000-0.0000 ( 6666 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.5989 -0.5989 -0.5989 -0.5989 1.9278 1.9278 1.9278 1.9278 2.8555 2.8555 2.8556 2.8556 3.4446 3.4446 3.4446 3.4446 4.3164 4.3164 4.3165 4.3165 4.8347 4.8347 4.8348 4.8348 11.1162 11.1162 11.1164 11.1164 12.5561 12.5561 k = 0.4149 0.5000-0.0000 ( 6662 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.5650 -0.5650 -0.5650 -0.5650 1.9303 1.9303 1.9303 1.9303 2.9231 2.9231 2.9232 2.9232 3.4522 3.4522 3.4522 3.4522 4.2302 4.2302 4.2303 4.2303 4.7277 4.7277 4.7278 4.7278 11.1786 11.1786 11.1788 11.1788 12.5881 12.5881 k = 0.4255 0.5000-0.0000 ( 6660 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.5337 -0.5337 -0.5337 -0.5337 1.9288 1.9288 1.9288 1.9288 2.9916 2.9916 2.9917 2.9917 3.4701 3.4701 3.4702 3.4702 4.1450 4.1450 4.1451 4.1451 4.6242 4.6242 4.6242 4.6242 11.2412 11.2412 11.2414 11.2414 12.6142 12.6142 k = 0.4362 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.5054 -0.5054 -0.5054 -0.5054 1.9244 1.9244 1.9244 1.9244 3.0607 3.0607 3.0608 3.0608 3.4972 3.4972 3.4973 3.4973 4.0614 4.0614 4.0614 4.0614 4.5246 4.5246 4.5247 4.5247 11.3030 11.3030 11.3032 11.3032 12.6315 12.6316 k = 0.4468 0.5000-0.0000 ( 6656 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.4806 -0.4806 -0.4806 -0.4806 1.9182 1.9182 1.9182 1.9182 3.1302 3.1302 3.1303 3.1303 3.5318 3.5318 3.5318 3.5318 3.9799 3.9799 3.9800 3.9800 4.4300 4.4300 4.4301 4.4301 11.3625 11.3625 11.3626 11.3626 12.6362 12.6363 k = 0.4574 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4596 -0.4596 -0.4596 -0.4596 1.9113 1.9113 1.9113 1.9113 3.1994 3.1994 3.1995 3.1995 3.5710 3.5710 3.5711 3.5711 3.9020 3.9020 3.9020 3.9020 4.3415 4.3415 4.3416 4.3416 11.4178 11.4178 11.4179 11.4179 12.6248 12.6249 k = 0.4681 0.5000-0.0000 ( 6648 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4429 -0.4429 -0.4429 -0.4429 1.9047 1.9047 1.9047 1.9047 3.2672 3.2672 3.2673 3.2673 3.6104 3.6104 3.6104 3.6104 3.8305 3.8305 3.8305 3.8305 4.2615 4.2615 4.2615 4.2615 11.4662 11.4662 11.4663 11.4663 12.5997 12.5997 k = 0.4787 0.5000-0.0000 ( 6652 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4307 -0.4307 -0.4307 -0.4307 1.8993 1.8993 1.8993 1.8993 3.3307 3.3307 3.3308 3.3308 3.6392 3.6392 3.6393 3.6393 3.7743 3.7743 3.7744 3.7744 4.1940 4.1940 4.1941 4.1941 11.5046 11.5046 11.5046 11.5046 12.5707 12.5707 k = 0.4894 0.5000-0.0000 ( 6644 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4232 -0.4232 -0.4232 -0.4232 1.8958 1.8958 1.8958 1.8958 3.3824 3.3824 3.3824 3.3824 3.6393 3.6393 3.6394 3.6394 3.7515 3.7515 3.7516 3.7516 4.1464 4.1464 4.1464 4.1464 11.5295 11.5295 11.5295 11.5295 12.5486 12.5486 k = 0.5000 0.5000-0.0000 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4208 -0.4208 -0.4208 -0.4208 1.8946 1.8946 1.8946 1.8946 3.4046 3.4046 3.4046 3.4046 3.6290 3.6290 3.6290 3.6290 3.7513 3.7513 3.7513 3.7513 4.1287 4.1287 4.1287 4.1287 11.5382 11.5382 11.5382 11.5382 12.5404 12.5404 k = 0.5000 0.5000-0.0000 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4208 -0.4208 -0.4208 -0.4208 1.8946 1.8946 1.8946 1.8946 3.4046 3.4046 3.4046 3.4046 3.6290 3.6290 3.6290 3.6290 3.7513 3.7513 3.7513 3.7513 4.1287 4.1287 4.1287 4.1287 11.5382 11.5382 11.5382 11.5382 12.5404 12.5404 k = 0.4924 0.4924-0.0000 ( 6640 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4255 -0.4255 -0.4210 -0.4210 1.8956 1.8956 1.8961 1.8961 3.3711 3.3711 3.3929 3.3929 3.6302 3.6302 3.6530 3.6530 3.7464 3.7464 3.7523 3.7523 4.1457 4.1457 4.1480 4.1480 11.5203 11.5203 11.5386 11.5386 12.5403 12.5403 k = 0.4848 0.4848-0.0000 ( 6644 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4398 -0.4398 -0.4218 -0.4218 1.8984 1.8984 1.9007 1.9007 3.2950 3.2950 3.3592 3.3592 3.6339 3.6339 3.7030 3.7030 3.7365 3.7365 3.7553 3.7553 4.1940 4.1940 4.2001 4.2001 11.4708 11.4708 11.5399 11.5399 12.5396 12.5396 k = 0.4773 0.4773-0.0000 ( 6644 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6654 -91.6654 -0.4632 -0.4632 -0.4232 -0.4232 1.9032 1.9032 1.9080 1.9080 3.2014 3.2014 3.3076 3.3076 3.6401 3.6401 3.7284 3.7284 3.7601 3.7601 3.7606 3.7606 4.2673 4.2673 4.2739 4.2739 11.3985 11.3985 11.5421 11.5421 12.5375 12.5375 k = 0.4697 0.4697-0.0000 ( 6648 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6657 -91.6657 -91.6656 -91.6656 -91.6655 -91.6655 -91.6654 -91.6654 -0.4952 -0.4952 -0.4253 -0.4253 1.9099 1.9099 1.9179 1.9179 3.0999 3.0999 3.2435 3.2435 3.6488 3.6488 3.7252 3.7252 3.7675 3.7675 3.8220 3.8220 4.3585 4.3585 4.3608 4.3608 11.3122 11.3122 11.5451 11.5451 12.5323 12.5323 k = 0.4621 0.4621-0.0000 ( 6648 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6657 -91.6657 -91.6656 -91.6656 -91.6655 -91.6655 -91.6654 -91.6654 -0.5353 -0.5353 -0.4280 -0.4280 1.9184 1.9184 1.9298 1.9298 2.9950 2.9950 3.1719 3.1719 3.6599 3.6599 3.7270 3.7270 3.7766 3.7766 3.8895 3.8895 4.4556 4.4556 4.4614 4.4614 11.2185 11.2185 11.5489 11.5489 12.5212 12.5212 k = 0.4545 0.4545-0.0000 ( 6648 PWs) bands (ev): -91.7676 -91.7676 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6657 -91.6657 -91.6656 -91.6656 -91.6655 -91.6655 -91.6654 -91.6654 -0.5827 -0.5827 -0.4315 -0.4315 1.9289 1.9289 1.9434 1.9434 2.8889 2.8889 3.0965 3.0965 3.6736 3.6736 3.7330 3.7330 3.7877 3.7877 3.9642 3.9642 4.5554 4.5554 4.5721 4.5721 11.1218 11.1218 11.5536 11.5536 12.5016 12.5016 k = 0.4470 0.4470-0.0000 ( 6649 PWs) bands (ev): -91.7676 -91.7676 -91.7674 -91.7674 -91.7191 -91.7191 -91.7189 -91.7189 -91.6657 -91.6657 -91.6655 -91.6655 -91.6655 -91.6655 -91.6654 -91.6654 -0.6366 -0.6366 -0.4358 -0.4358 1.9412 1.9412 1.9577 1.9577 2.7836 2.7836 3.0199 3.0199 3.6897 3.6897 3.7424 3.7424 3.8009 3.8009 4.0469 4.0469 4.6581 4.6581 4.6879 4.6879 11.0252 11.0252 11.5591 11.5591 12.4718 12.4718 k = 0.4394 0.4394-0.0000 ( 6653 PWs) bands (ev): -91.7677 -91.7677 -91.7673 -91.7673 -91.7191 -91.7191 -91.7188 -91.7188 -91.6657 -91.6657 -91.6655 -91.6655 -91.6655 -91.6655 -91.6653 -91.6653 -0.6962 -0.6962 -0.4411 -0.4411 1.9554 1.9554 1.9716 1.9716 2.6808 2.6808 2.9438 2.9438 3.7082 3.7082 3.7549 3.7549 3.8160 3.8160 4.1377 4.1377 4.7624 4.7624 4.8069 4.8069 10.9305 10.9305 11.5654 11.5654 12.4330 12.4330 k = 0.4318 0.4318-0.0000 ( 6665 PWs) bands (ev): -91.7677 -91.7677 -91.7673 -91.7673 -91.7191 -91.7191 -91.7188 -91.7188 -91.6658 -91.6658 -91.6655 -91.6655 -91.6655 -91.6655 -91.6653 -91.6653 -0.7608 -0.7608 -0.4476 -0.4476 1.9715 1.9715 1.9832 1.9832 2.5828 2.5828 2.8695 2.8695 3.7293 3.7293 3.7699 3.7699 3.8331 3.8331 4.2365 4.2365 4.8671 4.8671 4.9281 4.9281 10.8394 10.8394 11.5724 11.5724 12.3878 12.3878 k = 0.4242 0.4242-0.0000 ( 6669 PWs) bands (ev): -91.7678 -91.7678 -91.7673 -91.7673 -91.7192 -91.7192 -91.7188 -91.7188 -91.6658 -91.6658 -91.6655 -91.6655 -91.6654 -91.6654 -91.6653 -91.6653 -0.8296 -0.8296 -0.4553 -0.4553 1.9893 1.9893 1.9894 1.9894 2.4931 2.4931 2.7978 2.7978 3.7528 3.7528 3.7874 3.7874 3.8522 3.8522 4.3429 4.3429 4.9715 4.9715 5.0506 5.0506 10.7530 10.7530 11.5802 11.5802 12.3388 12.3388 k = 0.4167 0.4167-0.0000 ( 6661 PWs) bands (ev): -91.7679 -91.7679 -91.7673 -91.7673 -91.7192 -91.7192 -91.7187 -91.7187 -91.6658 -91.6658 -91.6655 -91.6655 -91.6654 -91.6654 -91.6652 -91.6652 -0.9020 -0.9020 -0.4643 -0.4643 1.9843 1.9843 2.0091 2.0091 2.4174 2.4174 2.7294 2.7294 3.7787 3.7787 3.8070 3.8070 3.8733 3.8733 4.4564 4.4564 5.0747 5.0747 5.1738 5.1738 10.6722 10.6722 11.5887 11.5887 12.2885 12.2885 k = 0.4091 0.4091-0.0000 ( 6667 PWs) bands (ev): -91.7679 -91.7679 -91.7672 -91.7672 -91.7193 -91.7193 -91.7187 -91.7187 -91.6659 -91.6659 -91.6656 -91.6656 -91.6653 -91.6653 -91.6652 -91.6652 -0.9773 -0.9773 -0.4750 -0.4750 1.9608 1.9608 2.0307 2.0307 2.3633 2.3633 2.6648 2.6648 3.8072 3.8072 3.8287 3.8287 3.8963 3.8963 4.5764 4.5764 5.1761 5.1761 5.2972 5.2972 10.5978 10.5978 11.5979 11.5979 12.2384 12.2384 k = 0.4015 0.4015-0.0000 ( 6667 PWs) bands (ev): -91.7680 -91.7680 -91.7672 -91.7672 -91.7193 -91.7193 -91.7186 -91.7186 -91.6659 -91.6659 -91.6656 -91.6656 -91.6653 -91.6653 -91.6651 -91.6651 -1.0549 -1.0549 -0.4872 -0.4872 1.9140 1.9140 2.0541 2.0541 2.3359 2.3359 2.6044 2.6044 3.8381 3.8381 3.8523 3.8523 3.9212 3.9212 4.7023 4.7023 5.2750 5.2750 5.4205 5.4205 10.5307 10.5307 11.6077 11.6077 12.1900 12.1900 k = 0.3939 0.3939-0.0000 ( 6657 PWs) bands (ev): -91.7681 -91.7681 -91.7671 -91.7671 -91.7194 -91.7194 -91.7186 -91.7186 -91.6660 -91.6660 -91.6656 -91.6656 -91.6652 -91.6652 -91.6651 -91.6651 -1.1344 -1.1344 -0.5013 -0.5013 1.8465 1.8465 2.0792 2.0792 2.3324 2.3324 2.5487 2.5487 3.8715 3.8715 3.8778 3.8778 3.9481 3.9481 4.8335 4.8335 5.3706 5.3706 5.5435 5.5435 10.4715 10.4715 11.6180 11.6180 12.1443 12.1443 k = 0.3864 0.3864-0.0000 ( 6657 PWs) bands (ev): -91.7682 -91.7682 -91.7671 -91.7671 -91.7194 -91.7194 -91.7185 -91.7185 -91.6660 -91.6660 -91.6656 -91.6656 -91.6652 -91.6652 -91.6650 -91.6650 -1.2153 -1.2153 -0.5174 -0.5174 1.7654 1.7654 2.1061 2.1061 2.3460 2.3460 2.4978 2.4978 3.9050 3.9050 3.9073 3.9073 3.9769 3.9769 4.9690 4.9690 5.4624 5.4624 5.6661 5.6661 10.4209 10.4209 11.6289 11.6289 12.1021 12.1021 k = 0.3788 0.3788-0.0000 ( 6651 PWs) bands (ev): -91.7683 -91.7683 -91.7670 -91.7670 -91.7195 -91.7195 -91.7185 -91.7185 -91.6661 -91.6661 -91.6656 -91.6656 -91.6651 -91.6651 -91.6650 -91.6650 -1.2972 -1.2972 -0.5355 -0.5355 1.6768 1.6768 2.1348 2.1348 2.3706 2.3706 2.4522 2.4522 3.9339 3.9339 3.9456 3.9456 4.0076 4.0076 5.1082 5.1082 5.5497 5.5497 5.7883 5.7883 10.3795 10.3795 11.6403 11.6403 12.0641 12.0641 k = 0.3712 0.3712-0.0000 ( 6651 PWs) bands (ev): -91.7684 -91.7684 -91.7670 -91.7670 -91.7195 -91.7195 -91.7184 -91.7184 -91.6661 -91.6661 -91.6656 -91.6656 -91.6650 -91.6650 -91.6649 -91.6649 -1.3797 -1.3797 -0.5557 -0.5557 1.5845 1.5845 2.1652 2.1652 2.4025 2.4025 2.4120 2.4120 3.9644 3.9644 3.9863 3.9863 4.0401 4.0401 5.2501 5.2501 5.6320 5.6320 5.9102 5.9102 10.3478 10.3478 11.6521 11.6521 12.0309 12.0309 k = 0.3636 0.3636-0.0000 ( 6655 PWs) bands (ev): -91.7685 -91.7685 -91.7669 -91.7669 -91.7196 -91.7196 -91.7184 -91.7184 -91.6662 -91.6662 -91.6656 -91.6656 -91.6650 -91.6650 -91.6648 -91.6648 -1.4626 -1.4626 -0.5781 -0.5781 1.4905 1.4905 2.1972 2.1972 2.3773 2.3773 2.4398 2.4398 3.9964 3.9964 4.0295 4.0295 4.0745 4.0745 5.3935 5.3935 5.7087 5.7087 6.0322 6.0322 10.3264 10.3264 11.6643 11.6643 12.0030 12.0030 k = 0.3561 0.3561-0.0000 ( 6665 PWs) bands (ev): -91.7686 -91.7686 -91.7669 -91.7669 -91.7197 -91.7197 -91.7183 -91.7183 -91.6662 -91.6662 -91.6657 -91.6657 -91.6649 -91.6649 -91.6648 -91.6648 -1.5455 -1.5455 -0.6028 -0.6028 1.3962 1.3962 2.2310 2.2310 2.3483 2.3483 2.4811 2.4811 4.0297 4.0297 4.0752 4.0752 4.1106 4.1106 5.5369 5.5369 5.7795 5.7795 6.1551 6.1551 10.3156 10.3156 11.6768 11.6768 11.9810 11.9810 k = 0.3485 0.3485-0.0000 ( 6645 PWs) bands (ev): -91.7688 -91.7688 -91.7668 -91.7668 -91.7197 -91.7197 -91.7182 -91.7182 -91.6663 -91.6663 -91.6657 -91.6657 -91.6648 -91.6648 -91.6647 -91.6647 -1.6283 -1.6283 -0.6297 -0.6297 1.3022 1.3022 2.2663 2.2663 2.3250 2.3250 2.5259 2.5259 4.0642 4.0642 4.1233 4.1233 4.1486 4.1486 5.6788 5.6788 5.8439 5.8439 6.2798 6.2798 10.3157 10.3157 11.6894 11.6894 11.9653 11.9653 k = 0.3409 0.3409-0.0000 ( 6641 PWs) bands (ev): -91.7689 -91.7689 -91.7668 -91.7668 -91.7198 -91.7198 -91.7182 -91.7182 -91.6664 -91.6664 -91.6657 -91.6657 -91.6648 -91.6648 -91.6646 -91.6646 -1.7106 -1.7106 -0.6589 -0.6589 1.2090 1.2090 2.3032 2.3032 2.3074 2.3074 2.5737 2.5737 4.0999 4.0999 4.1738 4.1738 4.1883 4.1883 5.8170 5.8170 5.9019 5.9019 6.4077 6.4077 10.3269 10.3269 11.7022 11.7022 11.9563 11.9563 k = 0.3333 0.3333-0.0000 ( 6649 PWs) bands (ev): -91.7690 -91.7690 -91.7667 -91.7667 -91.7199 -91.7199 -91.7181 -91.7181 -91.6664 -91.6664 -91.6657 -91.6657 -91.6647 -91.6647 -91.6645 -91.6645 -1.7924 -1.7924 -0.6901 -0.6901 1.1169 1.1169 2.2956 2.2956 2.3418 2.3418 2.6242 2.6242 4.1365 4.1365 4.2267 4.2267 4.2298 4.2298 5.9494 5.9494 5.9532 5.9532 6.5405 6.5405 10.3490 10.3490 11.7150 11.7150 11.9542 11.9542 k = 0.3258 0.3258-0.0000 ( 6649 PWs) bands (ev): -91.7691 -91.7691 -91.7667 -91.7667 -91.7200 -91.7200 -91.7180 -91.7180 -91.6665 -91.6665 -91.6657 -91.6657 -91.6646 -91.6646 -91.6645 -91.6645 -1.8734 -1.8734 -0.7235 -0.7235 1.0262 1.0262 2.2894 2.2894 2.3818 2.3818 2.6773 2.6773 4.1739 4.1739 4.2729 4.2729 4.2821 4.2821 5.9981 5.9981 6.0738 6.0738 6.6798 6.6798 10.3821 10.3821 11.7277 11.7277 11.9594 11.9594 k = 0.3182 0.3182-0.0000 ( 6649 PWs) bands (ev): -91.7693 -91.7693 -91.7666 -91.7666 -91.7200 -91.7200 -91.7179 -91.7179 -91.6666 -91.6666 -91.6658 -91.6658 -91.6645 -91.6645 -91.6644 -91.6644 -1.9536 -1.9536 -0.7587 -0.7587 0.9370 0.9370 2.2889 2.2889 2.4233 2.4233 2.7328 2.7328 4.2118 4.2118 4.3177 4.3177 4.3398 4.3398 6.0367 6.0367 6.1883 6.1883 6.8268 6.8268 10.4256 10.4256 11.7403 11.7403 11.9721 11.9721 k = 0.3106 0.3106-0.0000 ( 6647 PWs) bands (ev): -91.7694 -91.7694 -91.7665 -91.7665 -91.7201 -91.7201 -91.7179 -91.7179 -91.6666 -91.6666 -91.6658 -91.6658 -91.6645 -91.6645 -91.6643 -91.6643 -2.0327 -2.0327 -0.7957 -0.7957 0.8493 0.8493 2.2937 2.2937 2.4663 2.4663 2.7906 2.7906 4.2502 4.2502 4.3641 4.3641 4.4000 4.4000 6.0695 6.0695 6.2920 6.2920 6.9822 6.9822 10.4790 10.4790 11.7525 11.7525 11.9925 11.9925 k = 0.3030 0.3030-0.0000 ( 6653 PWs) bands (ev): -91.7696 -91.7696 -91.7665 -91.7665 -91.7202 -91.7202 -91.7178 -91.7178 -91.6667 -91.6667 -91.6658 -91.6658 -91.6644 -91.6644 -91.6642 -91.6642 -2.1107 -2.1107 -0.8343 -0.8343 0.7633 0.7633 2.3038 2.3038 2.5106 2.5106 2.8506 2.8506 4.2886 4.2886 4.4121 4.4121 4.4625 4.4625 6.0971 6.0971 6.3846 6.3846 7.1459 7.1459 10.5417 10.5417 11.7643 11.7643 12.0205 12.0205 k = 0.2955 0.2955-0.0000 ( 6645 PWs) bands (ev): -91.7697 -91.7697 -91.7664 -91.7664 -91.7203 -91.7203 -91.7177 -91.7177 -91.6668 -91.6668 -91.6658 -91.6658 -91.6643 -91.6643 -91.6641 -91.6641 -2.1874 -2.1874 -0.8743 -0.8743 0.6792 0.6792 2.3190 2.3190 2.5563 2.5563 2.9128 2.9128 4.3269 4.3269 4.4616 4.4616 4.5274 4.5274 6.1201 6.1201 6.4665 6.4665 7.3170 7.3170 10.6128 10.6128 11.7756 11.7756 12.0563 12.0563 k = 0.2879 0.2879-0.0000 ( 6635 PWs) bands (ev): -91.7698 -91.7698 -91.7663 -91.7663 -91.7204 -91.7204 -91.7176 -91.7176 -91.6669 -91.6669 -91.6658 -91.6658 -91.6642 -91.6642 -91.6641 -91.6641 -2.2628 -2.2628 -0.9156 -0.9156 0.5968 0.5968 2.3391 2.3391 2.6033 2.6033 2.9770 2.9770 4.3648 4.3648 4.5126 4.5126 4.5947 4.5947 6.1393 6.1393 6.5384 6.5384 7.4948 7.4948 10.6912 10.6912 11.7861 11.7861 12.0997 12.0997 k = 0.2803 0.2803-0.0000 ( 6639 PWs) bands (ev): -91.7700 -91.7700 -91.7663 -91.7663 -91.7204 -91.7204 -91.7175 -91.7175 -91.6669 -91.6669 -91.6659 -91.6659 -91.6641 -91.6641 -91.6640 -91.6640 -2.3368 -2.3368 -0.9579 -0.9579 0.5163 0.5163 2.3638 2.3638 2.6516 2.6516 3.0433 3.0433 4.4019 4.4019 4.5651 4.5651 4.6642 4.6642 6.1556 6.1556 6.6011 6.6011 7.6783 7.6783 10.7758 10.7758 11.7958 11.7958 12.1506 12.1506 k = 0.2727 0.2727-0.0000 ( 6645 PWs) bands (ev): -91.7701 -91.7701 -91.7662 -91.7662 -91.7205 -91.7205 -91.7174 -91.7174 -91.6670 -91.6670 -91.6659 -91.6659 -91.6640 -91.6640 -91.6639 -91.6639 -2.4093 -2.4093 -1.0010 -1.0010 0.4377 0.4377 2.3931 2.3931 2.7010 2.7010 3.1116 3.1116 4.4379 4.4379 4.6189 4.6189 4.7361 4.7361 6.1699 6.1699 6.6552 6.6552 7.8665 7.8665 10.8654 10.8654 11.8044 11.8044 12.2088 12.2088 k = 0.2652 0.2652-0.0000 ( 6651 PWs) bands (ev): -91.7703 -91.7703 -91.7662 -91.7662 -91.7206 -91.7206 -91.7174 -91.7174 -91.6671 -91.6671 -91.6659 -91.6659 -91.6639 -91.6639 -91.6638 -91.6638 -2.4802 -2.4802 -1.0447 -1.0447 0.3611 0.3611 2.4265 2.4265 2.7515 2.7515 3.1817 3.1817 4.4724 4.4724 4.6740 4.6740 4.8103 4.8103 6.1831 6.1831 6.7016 6.7016 8.0587 8.0587 10.9586 10.9586 11.8118 11.8118 12.2740 12.2740 k = 0.2576 0.2576-0.0000 ( 6651 PWs) bands (ev): -91.7704 -91.7704 -91.7661 -91.7661 -91.7207 -91.7207 -91.7173 -91.7173 -91.6672 -91.6672 -91.6660 -91.6660 -91.6639 -91.6639 -91.6637 -91.6637 -2.5496 -2.5496 -1.0889 -1.0889 0.2864 0.2864 2.4640 2.4640 2.8031 2.8031 3.2538 3.2538 4.5051 4.5051 4.7303 4.7303 4.8868 4.8868 6.1962 6.1962 6.7407 6.7407 8.2543 8.2543 11.0540 11.0540 11.8179 11.8179 12.3458 12.3458 k = 0.2500 0.2500-0.0000 ( 6643 PWs) bands (ev): -91.7706 -91.7706 -91.7660 -91.7660 -91.7208 -91.7208 -91.7172 -91.7172 -91.6672 -91.6672 -91.6660 -91.6660 -91.6638 -91.6638 -91.6636 -91.6636 -2.6172 -2.6172 -1.1333 -1.1333 0.2137 0.2137 2.5052 2.5052 2.8557 2.8557 3.3276 3.3276 4.5355 4.5355 4.7878 4.7878 4.9655 4.9655 6.2100 6.2100 6.7733 6.7733 8.4526 8.4526 11.1499 11.1499 11.8223 11.8223 12.4240 12.4240 k = 0.2424 0.2424-0.0000 ( 6643 PWs) bands (ev): -91.7707 -91.7707 -91.7660 -91.7660 -91.7209 -91.7209 -91.7171 -91.7171 -91.6673 -91.6673 -91.6660 -91.6660 -91.6637 -91.6637 -91.6635 -91.6635 -2.6832 -2.6832 -1.1778 -1.1778 0.1431 0.1431 2.5500 2.5500 2.9091 2.9091 3.4031 3.4031 4.5632 4.5632 4.8465 4.8465 5.0464 5.0464 6.2254 6.2254 6.7997 6.7997 8.6532 8.6532 11.2448 11.2448 11.8250 11.8250 12.5079 12.5079 k = 0.2348 0.2348-0.0000 ( 6639 PWs) bands (ev): -91.7709 -91.7709 -91.7659 -91.7659 -91.7210 -91.7210 -91.7170 -91.7170 -91.6674 -91.6674 -91.6660 -91.6660 -91.6636 -91.6636 -91.6634 -91.6634 -2.7474 -2.7474 -1.2221 -1.2221 0.0745 0.0745 2.5981 2.5981 2.9634 2.9634 3.4803 3.4803 4.5880 4.5880 4.9061 4.9061 5.1295 5.1295 6.2432 6.2432 6.8207 6.8207 8.8555 8.8555 11.3368 11.3368 11.8258 11.8258 12.5973 12.5973 k = 0.2273 0.2273-0.0000 ( 6625 PWs) bands (ev): -91.7710 -91.7710 -91.7658 -91.7658 -91.7210 -91.7210 -91.7169 -91.7169 -91.6675 -91.6675 -91.6660 -91.6660 -91.6635 -91.6635 -91.6633 -91.6633 -2.8099 -2.8099 -1.2663 -1.2663 0.0079 0.0079 2.6494 2.6494 3.0184 3.0184 3.5591 3.5591 4.6094 4.6094 4.9667 4.9667 5.2147 5.2147 6.2642 6.2642 6.8365 6.8365 9.0590 9.0590 11.4242 11.4242 11.8244 11.8244 12.6917 12.6917 k = 0.2197 0.2197-0.0000 ( 6631 PWs) bands (ev): -91.7712 -91.7712 -91.7657 -91.7657 -91.7211 -91.7211 -91.7168 -91.7168 -91.6675 -91.6675 -91.6661 -91.6661 -91.6634 -91.6634 -91.6633 -91.6633 -2.8705 -2.8705 -1.3100 -1.3100 -0.0565 -0.0565 2.7035 2.7035 3.0741 3.0741 3.6394 3.6394 4.6274 4.6274 5.0281 5.0281 5.3020 5.3020 6.2888 6.2888 6.8477 6.8477 9.2631 9.2631 11.5052 11.5052 11.8206 11.8206 12.7892 12.7893 k = 0.2121 0.2121-0.0000 ( 6623 PWs) bands (ev): -91.7713 -91.7713 -91.7657 -91.7657 -91.7212 -91.7212 -91.7168 -91.7168 -91.6676 -91.6676 -91.6661 -91.6661 -91.6633 -91.6633 -91.6632 -91.6632 -2.9292 -2.9292 -1.3532 -1.3532 -0.1189 -0.1189 2.7602 2.7602 3.1302 3.1302 3.7210 3.7210 4.6418 4.6418 5.0903 5.0903 5.3914 5.3914 6.3176 6.3176 6.8547 6.8547 9.4674 9.4674 11.5780 11.5780 11.8144 11.8144 12.7312 12.7312 k = 0.2045 0.2045-0.0000 ( 6615 PWs) bands (ev): -91.7715 -91.7715 -91.7656 -91.7656 -91.7213 -91.7213 -91.7167 -91.7167 -91.6677 -91.6677 -91.6661 -91.6661 -91.6632 -91.6632 -91.6631 -91.6631 -2.9861 -2.9861 -1.3957 -1.3957 -0.1792 -0.1792 2.8194 2.8194 3.1868 3.1868 3.8040 3.8040 4.6524 4.6524 5.1531 5.1531 5.4827 5.4827 6.3508 6.3508 6.8580 6.8580 9.6711 9.6711 11.6410 11.6410 11.8054 11.8054 12.6609 12.6609 k = 0.1970 0.1970-0.0000 ( 6611 PWs) bands (ev): -91.7716 -91.7716 -91.7655 -91.7655 -91.7214 -91.7214 -91.7166 -91.7166 -91.6678 -91.6678 -91.6661 -91.6661 -91.6632 -91.6632 -91.6630 -91.6630 -3.0410 -3.0410 -1.4374 -1.4374 -0.2373 -0.2373 2.8809 2.8809 3.2438 3.2438 3.8882 3.8882 4.6595 4.6595 5.2164 5.2164 5.5759 5.5759 6.3885 6.3885 6.8578 6.8578 9.8737 9.8737 11.6926 11.6926 11.7937 11.7937 12.5785 12.5785 k = 0.1894 0.1894-0.0000 ( 6631 PWs) bands (ev): -91.7717 -91.7717 -91.7655 -91.7655 -91.7215 -91.7215 -91.7165 -91.7165 -91.6678 -91.6678 -91.6662 -91.6662 -91.6631 -91.6631 -91.6629 -91.6629 -3.0941 -3.0941 -1.4782 -1.4782 -0.2934 -0.2934 2.9443 2.9443 3.3009 3.3009 3.9735 3.9735 4.6631 4.6631 5.2802 5.2802 5.6710 5.6710 6.4309 6.4309 6.8546 6.8546 10.0742 10.0742 11.7316 11.7316 11.7791 11.7791 12.4851 12.4851 k = 0.1818 0.1818-0.0000 ( 6631 PWs) bands (ev): -91.7719 -91.7719 -91.7654 -91.7654 -91.7215 -91.7215 -91.7164 -91.7164 -91.6679 -91.6679 -91.6662 -91.6662 -91.6630 -91.6630 -91.6628 -91.6628 -3.1451 -3.1451 -1.5180 -1.5180 -0.3473 -0.3473 3.0094 3.0094 3.3580 3.3580 4.0598 4.0598 4.6634 4.6634 5.3441 5.3441 5.7678 5.7678 6.4779 6.4779 6.8486 6.8486 10.2718 10.2718 11.7567 11.7567 11.7616 11.7616 12.3827 12.3827 k = 0.1742 0.1742-0.0000 ( 6627 PWs) bands (ev): -91.7720 -91.7720 -91.7654 -91.7654 -91.7216 -91.7216 -91.7164 -91.7164 -91.6680 -91.6680 -91.6662 -91.6662 -91.6629 -91.6629 -91.6628 -91.6628 -3.1942 -3.1942 -1.5567 -1.5567 -0.3990 -0.3990 3.0761 3.0761 3.4151 3.4151 4.1469 4.1469 4.6608 4.6608 5.4082 5.4082 5.8663 5.8663 6.5291 6.5291 6.8403 6.8403 10.4652 10.4652 11.7411 11.7411 11.7668 11.7668 12.2742 12.2742 k = 0.1667 0.1667-0.0000 ( 6623 PWs) bands (ev): -91.7721 -91.7721 -91.7653 -91.7653 -91.7217 -91.7217 -91.7163 -91.7163 -91.6680 -91.6680 -91.6662 -91.6662 -91.6628 -91.6628 -91.6627 -91.6627 -3.2414 -3.2414 -1.5943 -1.5943 -0.4486 -0.4486 3.1441 3.1441 3.4720 3.4720 4.2347 4.2347 4.6555 4.6555 5.4723 5.4723 5.9663 5.9663 6.5845 6.5845 6.8297 6.8297 10.6532 10.6532 11.7176 11.7176 11.7601 11.7601 12.1634 12.1634 k = 0.1591 0.1591-0.0000 ( 6623 PWs) bands (ev): -91.7723 -91.7723 -91.7653 -91.7653 -91.7218 -91.7218 -91.7162 -91.7162 -91.6681 -91.6681 -91.6663 -91.6663 -91.6628 -91.6628 -91.6626 -91.6626 -3.2865 -3.2865 -1.6306 -1.6306 -0.4960 -0.4960 3.2130 3.2130 3.5285 3.5285 4.3230 4.3230 4.6480 4.6480 5.5361 5.5361 6.0678 6.0678 6.6436 6.6436 6.8173 6.8173 10.8340 10.8340 11.6913 11.6913 11.7335 11.7335 12.0558 12.0558 k = 0.1515 0.1515-0.0000 ( 6619 PWs) bands (ev): -91.7724 -91.7724 -91.7652 -91.7652 -91.7218 -91.7218 -91.7161 -91.7161 -91.6682 -91.6682 -91.6663 -91.6663 -91.6627 -91.6627 -91.6625 -91.6625 -3.3295 -3.3295 -1.6656 -1.6656 -0.5413 -0.5413 3.2827 3.2827 3.5844 3.5844 4.4117 4.4117 4.6386 4.6386 5.5995 5.5995 6.1705 6.1705 6.7061 6.7061 6.8031 6.8031 11.0057 11.0057 11.6623 11.6623 11.6823 11.6823 11.9586 11.9586 k = 0.1439 0.1439-0.0000 ( 6605 PWs) bands (ev): -91.7725 -91.7725 -91.7651 -91.7651 -91.7219 -91.7219 -91.7161 -91.7161 -91.6682 -91.6682 -91.6663 -91.6663 -91.6626 -91.6626 -91.6625 -91.6625 -3.3706 -3.3706 -1.6992 -1.6992 -0.5844 -0.5844 3.3529 3.3529 3.6396 3.6396 4.5006 4.5006 4.6276 4.6276 5.6624 5.6624 6.2744 6.2744 6.7715 6.7715 6.7874 6.7874 11.1659 11.1659 11.6039 11.6039 11.6308 11.6308 11.8769 11.8769 k = 0.1364 0.1364-0.0000 ( 6619 PWs) bands (ev): -91.7726 -91.7726 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6683 -91.6683 -91.6663 -91.6663 -91.6625 -91.6625 -91.6624 -91.6624 -3.4096 -3.4096 -1.7314 -1.7314 -0.6253 -0.6253 3.4232 3.4232 3.6939 3.6939 4.5895 4.5895 4.6154 4.6154 5.7245 5.7245 6.3791 6.3791 6.7704 6.7704 6.8394 6.8394 11.3119 11.3119 11.5031 11.5031 11.5970 11.5970 11.8081 11.8081 k = 0.1288 0.1288-0.0000 ( 6623 PWs) bands (ev): -91.7727 -91.7727 -91.7650 -91.7650 -91.7220 -91.7220 -91.7159 -91.7159 -91.6683 -91.6683 -91.6663 -91.6663 -91.6625 -91.6625 -91.6623 -91.6623 -3.4466 -3.4466 -1.7621 -1.7621 -0.6641 -0.6641 3.4934 3.4934 3.7471 3.7471 4.6023 4.6023 4.6780 4.6780 5.7855 5.7855 6.4846 6.4846 6.7522 6.7522 6.9094 6.9094 11.3895 11.3895 11.4407 11.4407 11.5613 11.5613 11.7452 11.7452 k = 0.1212 0.1212-0.0000 ( 6613 PWs) bands (ev): -91.7728 -91.7728 -91.7650 -91.7650 -91.7221 -91.7221 -91.7159 -91.7159 -91.6684 -91.6684 -91.6664 -91.6664 -91.6624 -91.6624 -91.6623 -91.6623 -3.4815 -3.4815 -1.7912 -1.7912 -0.7006 -0.7006 3.5631 3.5631 3.7990 3.7990 4.5886 4.5886 4.7661 4.7661 5.8453 5.8453 6.5906 6.5906 6.7328 6.7328 6.9810 6.9810 11.2702 11.2702 11.5240 11.5240 11.5493 11.5493 11.6831 11.6831 k = 0.1136 0.1136-0.0000 ( 6623 PWs) bands (ev): -91.7729 -91.7729 -91.7649 -91.7649 -91.7221 -91.7221 -91.7158 -91.7158 -91.6684 -91.6684 -91.6664 -91.6664 -91.6624 -91.6624 -91.6622 -91.6622 -3.5143 -3.5143 -1.8188 -1.8188 -0.7350 -0.7350 3.6319 3.6319 3.8494 3.8494 4.5745 4.5745 4.8534 4.8534 5.9036 5.9036 6.6966 6.6966 6.7125 6.7125 7.0537 7.0537 11.1497 11.1497 11.4855 11.4855 11.6194 11.6194 11.6352 11.6352 k = 0.1061 0.1061-0.0000 ( 6611 PWs) bands (ev): -91.7730 -91.7730 -91.7649 -91.7649 -91.7222 -91.7222 -91.7158 -91.7158 -91.6685 -91.6685 -91.6664 -91.6664 -91.6623 -91.6623 -91.6622 -91.6622 -3.5450 -3.5450 -1.8448 -1.8448 -0.7671 -0.7671 3.6996 3.6996 3.8980 3.8980 4.5604 4.5604 4.9397 4.9397 5.9602 5.9602 6.6913 6.6913 6.8025 6.8025 7.1270 7.1270 11.0305 11.0305 11.4462 11.4462 11.5537 11.5537 11.6971 11.6971 k = 0.0985 0.0985-0.0000 ( 6607 PWs) bands (ev): -91.7731 -91.7731 -91.7649 -91.7649 -91.7222 -91.7222 -91.7157 -91.7157 -91.6685 -91.6685 -91.6664 -91.6664 -91.6623 -91.6623 -91.6621 -91.6621 -3.5736 -3.5736 -1.8691 -1.8691 -0.7971 -0.7971 3.7656 3.7656 3.9447 3.9447 4.5463 4.5463 5.0245 5.0245 6.0147 6.0147 6.6692 6.6692 6.9077 6.9077 7.2003 7.2003 10.9144 10.9144 11.4067 11.4067 11.4860 11.4860 11.6370 11.6370 k = 0.0909 0.0909-0.0000 ( 6607 PWs) bands (ev): -91.7732 -91.7732 -91.7648 -91.7648 -91.7223 -91.7223 -91.7157 -91.7157 -91.6686 -91.6686 -91.6664 -91.6664 -91.6622 -91.6622 -91.6621 -91.6621 -3.6002 -3.6002 -1.8917 -1.8917 -0.8248 -0.8248 3.8295 3.8295 3.9892 3.9892 4.5326 4.5326 5.1077 5.1077 6.0669 6.0669 6.6463 6.6463 7.0117 7.0117 7.2729 7.2729 10.8025 10.8025 11.3675 11.3675 11.4171 11.4171 11.5255 11.5255 k = 0.0833 0.0833-0.0000 ( 6601 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7223 -91.7223 -91.7156 -91.7156 -91.6686 -91.6686 -91.6664 -91.6664 -91.6622 -91.6622 -91.6620 -91.6620 -3.6246 -3.6246 -1.9126 -1.9126 -0.8503 -0.8503 3.8910 3.8910 4.0312 4.0312 4.5192 4.5192 5.1887 5.1887 6.1165 6.1165 6.6228 6.6228 7.1140 7.1140 7.3444 7.3444 10.6960 10.6960 11.3289 11.3289 11.3478 11.3478 11.4161 11.4161 k = 0.0758 0.0758-0.0000 ( 6597 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6687 -91.6687 -91.6664 -91.6664 -91.6621 -91.6621 -91.6620 -91.6620 -3.6469 -3.6469 -1.9318 -1.9318 -0.8737 -0.8737 3.9496 3.9496 4.0706 4.0706 4.5065 4.5065 5.2671 5.2671 6.1632 6.1632 6.5986 6.5986 7.2138 7.2138 7.4139 7.4139 10.5956 10.5956 11.2790 11.2790 11.2915 11.2915 11.3093 11.3093 k = 0.0682 0.0682-0.0000 ( 6595 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7224 -91.7224 -91.7156 -91.7156 -91.6687 -91.6687 -91.6665 -91.6665 -91.6621 -91.6621 -91.6619 -91.6619 -3.6672 -3.6672 -1.9492 -1.9492 -0.8948 -0.8948 4.0047 4.0047 4.1071 4.1071 4.4945 4.4945 5.3425 5.3425 6.2066 6.2066 6.5739 6.5739 7.3103 7.3103 7.4808 7.4808 10.5021 10.5021 11.2059 11.2059 11.2119 11.2119 11.2559 11.2559 k = 0.0606 0.0606-0.0000 ( 6591 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6687 -91.6687 -91.6665 -91.6665 -91.6620 -91.6620 -91.6619 -91.6619 -3.6853 -3.6853 -1.9648 -1.9648 -0.9137 -0.9137 4.0560 4.0560 4.1405 4.1405 4.4832 4.4832 5.4143 5.4143 6.2465 6.2465 6.5490 6.5490 7.4026 7.4026 7.5442 7.5442 10.4163 10.4163 11.1069 11.1069 11.1474 11.1474 11.2224 11.2224 k = 0.0530 0.0530-0.0000 ( 6589 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6687 -91.6687 -91.6665 -91.6665 -91.6620 -91.6620 -91.6619 -91.6619 -3.7012 -3.7012 -1.9786 -1.9786 -0.9303 -0.9303 4.1030 4.1030 4.1705 4.1705 4.4728 4.4728 5.4818 5.4818 6.2826 6.2826 6.5240 6.5240 7.4893 7.4893 7.6032 7.6032 10.3388 10.3388 11.0134 11.0134 11.0868 11.0868 11.1916 11.1916 k = 0.0455 0.0455-0.0000 ( 6593 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6688 -91.6688 -91.6665 -91.6665 -91.6620 -91.6620 -91.6618 -91.6618 -3.7151 -3.7151 -1.9906 -1.9906 -0.9448 -0.9448 4.1453 4.1453 4.1970 4.1970 4.4632 4.4632 5.5442 5.5442 6.3145 6.3145 6.4994 6.4994 7.5693 7.5693 7.6571 7.6571 10.2702 10.2702 10.9271 10.9271 11.0312 11.0312 11.1640 11.1640 k = 0.0379 0.0379-0.0000 ( 6601 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7225 -91.7225 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6620 -91.6620 -91.6618 -91.6618 -3.7268 -3.7268 -2.0008 -2.0008 -0.9570 -0.9570 4.1823 4.1823 4.2197 4.2197 4.4547 4.4547 5.6005 5.6005 6.3421 6.3421 6.4757 6.4757 7.6411 7.6411 7.7047 7.7047 10.2111 10.2111 10.8495 10.8495 10.9817 10.9817 11.1398 11.1398 k = 0.0303 0.0303-0.0000 ( 6597 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7364 -3.7364 -2.0092 -2.0092 -0.9670 -0.9670 4.2136 4.2136 4.2386 4.2386 4.4472 4.4472 5.6498 5.6498 6.3649 6.3649 6.4538 6.4538 7.7029 7.7029 7.7453 7.7453 10.1620 10.1620 10.7825 10.7825 10.9394 10.9394 11.1195 11.1195 k = 0.0227 0.0227-0.0000 ( 6601 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7439 -3.7439 -2.0157 -2.0157 -0.9748 -0.9748 4.2388 4.2388 4.2534 4.2534 4.4409 4.4409 5.6905 5.6905 6.3830 6.3830 6.4347 6.4347 7.7533 7.7533 7.7779 7.7779 10.1233 10.1233 10.7279 10.7279 10.9052 10.9052 11.1034 11.1034 k = 0.0152 0.0152-0.0000 ( 6597 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7492 -3.7492 -2.0203 -2.0203 -0.9804 -0.9804 4.2574 4.2574 4.2641 4.2641 4.4361 4.4361 5.7211 5.7211 6.3960 6.3960 6.4196 6.4196 7.7906 7.7906 7.8018 7.8018 10.0954 10.0954 10.6875 10.6875 10.8802 10.8802 11.0917 11.0917 k = 0.0076 0.0076-0.0000 ( 6601 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7524 -3.7524 -2.0231 -2.0231 -0.9837 -0.9837 4.2688 4.2688 4.2706 4.2706 4.4329 4.4329 5.7403 5.7403 6.4038 6.4038 6.4099 6.4099 7.8135 7.8135 7.8164 7.8164 10.0786 10.0786 10.6626 10.6626 10.8649 10.8649 11.0846 11.0846 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7535 -3.7535 -2.0240 -2.0240 -0.9849 -0.9849 4.2725 4.2725 4.2729 4.2729 4.4318 4.4318 5.7468 5.7468 6.4061 6.4061 6.4069 6.4069 7.8211 7.8211 7.8215 7.8215 10.0730 10.0730 10.6542 10.6542 10.8597 10.8597 11.0822 11.0822 k = 0.0000 0.0000 0.0000 ( 6603 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7535 -3.7535 -2.0240 -2.0240 -0.9849 -0.9849 4.2725 4.2725 4.2729 4.2729 4.4318 4.4318 5.7468 5.7468 6.4061 6.4061 6.4069 6.4069 7.8211 7.8211 7.8215 7.8215 10.0730 10.0730 10.6542 10.6542 10.8597 10.8597 11.0822 11.0822 k = 0.0000 0.0000 0.0104 ( 6595 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6618 -91.6618 -3.7525 -3.7525 -2.0316 -2.0316 -0.9754 -0.9754 4.2738 4.2738 4.2742 4.2742 4.4103 4.4103 5.7690 5.7690 6.3975 6.3975 6.3982 6.3982 7.8321 7.8321 7.8325 7.8325 10.0724 10.0724 10.6542 10.6542 10.8550 10.8550 11.0824 11.0824 k = 0.0000 0.0000 0.0208 ( 6615 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6617 -91.6617 -3.7495 -3.7495 -2.0534 -2.0534 -0.9479 -0.9479 4.2777 4.2777 4.2780 4.2780 4.3497 4.3497 5.8316 5.8316 6.3722 6.3722 6.3729 6.3729 7.8642 7.8642 7.8646 7.8646 10.0706 10.0706 10.6540 10.6540 10.8410 10.8410 11.0827 11.0827 k = 0.0000 0.0000 0.0312 ( 6603 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6617 -91.6617 -3.7445 -3.7445 -2.0874 -2.0874 -0.9044 -0.9044 4.2590 4.2590 4.2841 4.2841 4.2845 4.2845 5.9258 5.9258 6.3325 6.3325 6.3332 6.3332 7.9154 7.9154 7.9159 7.9159 10.0676 10.0676 10.6536 10.6536 10.8185 10.8185 11.0833 11.0833 k = 0.0000 0.0000 0.0416 ( 6622 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6665 -91.6665 -91.6619 -91.6619 -91.6617 -91.6617 -3.7375 -3.7375 -2.1310 -2.1310 -0.8475 -0.8475 4.1473 4.1473 4.2931 4.2931 4.2934 4.2934 6.0421 6.0421 6.2810 6.2810 6.2816 6.2816 7.9830 7.9830 7.9834 7.9834 10.0633 10.0633 10.6532 10.6532 10.7885 10.7885 11.0841 11.0841 k = 0.0000 0.0000 0.0519 ( 6634 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6666 -91.6666 -91.6620 -91.6620 -91.6617 -91.6617 -3.7285 -3.7285 -2.1818 -2.1818 -0.7798 -0.7798 4.0219 4.0219 4.3046 4.3046 4.3050 4.3050 6.1735 6.1735 6.2204 6.2204 6.2211 6.2211 8.0641 8.0641 8.0646 8.0646 10.0577 10.0577 10.6526 10.6526 10.7522 10.7522 11.0851 11.0851 k = 0.0000 0.0000 0.0623 ( 6634 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6666 -91.6666 -91.6620 -91.6620 -91.6617 -91.6617 -3.7176 -3.7176 -2.2376 -2.2376 -0.7033 -0.7033 3.8876 3.8876 4.3187 4.3187 4.3191 4.3191 6.1533 6.1533 6.1540 6.1540 6.3149 6.3149 8.1562 8.1562 8.1567 8.1567 10.0506 10.0506 10.6520 10.6520 10.7104 10.7104 11.0863 11.0863 k = 0.0000 0.0000 0.0727 ( 6630 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6688 -91.6688 -91.6666 -91.6666 -91.6620 -91.6620 -91.6617 -91.6617 -3.7046 -3.7046 -2.2967 -2.2967 -0.6199 -0.6199 3.7477 3.7477 4.3354 4.3354 4.3358 4.3358 6.0817 6.0817 6.0823 6.0823 6.4630 6.4630 8.2574 8.2574 8.2579 8.2579 10.0418 10.0418 10.6513 10.6513 10.6641 10.6641 11.0877 11.0877 k = 0.0000 0.0000 0.0831 ( 6626 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6687 -91.6687 -91.6666 -91.6666 -91.6620 -91.6620 -91.6617 -91.6617 -3.6897 -3.6897 -2.3578 -2.3578 -0.5308 -0.5308 3.6045 3.6045 4.3546 4.3546 4.3550 4.3550 6.0071 6.0071 6.0077 6.0077 6.6155 6.6155 8.3659 8.3659 8.3665 8.3665 10.0310 10.0310 10.6141 10.6141 10.6505 10.6505 11.0893 11.0893 k = 0.0000 0.0000 0.0935 ( 6634 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6687 -91.6687 -91.6666 -91.6666 -91.6620 -91.6620 -91.6616 -91.6616 -3.6728 -3.6728 -2.4200 -2.4200 -0.4372 -0.4372 3.4595 3.4595 4.3763 4.3763 4.3767 4.3767 5.9306 5.9306 5.9312 5.9312 6.7708 6.7708 8.4805 8.4805 8.4812 8.4812 10.0176 10.0176 10.5614 10.5614 10.6496 10.6496 11.0909 11.0909 k = 0.0000 0.0000 0.1039 ( 6634 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6687 -91.6687 -91.6667 -91.6667 -91.6620 -91.6620 -91.6616 -91.6616 -3.6540 -3.6540 -2.4826 -2.4826 -0.3397 -0.3397 3.3137 3.3137 4.4006 4.4006 4.4010 4.4010 5.8533 5.8533 5.8539 5.8539 6.9276 6.9276 8.6002 8.6002 8.6009 8.6009 10.0010 10.0010 10.5069 10.5069 10.6487 10.6487 11.0926 11.0926 k = 0.0000 0.0000 0.1143 ( 6622 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6687 -91.6687 -91.6667 -91.6667 -91.6621 -91.6621 -91.6616 -91.6616 -3.6333 -3.6333 -2.5451 -2.5451 -0.2392 -0.2392 3.1681 3.1681 4.4275 4.4275 4.4278 4.4278 5.7758 5.7758 5.7763 5.7763 7.0851 7.0851 8.7242 8.7242 8.7249 8.7249 9.9801 9.9801 10.4521 10.4521 10.6478 10.6478 11.0944 11.0944 k = 0.0000 0.0000 0.1247 ( 6622 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6686 -91.6686 -91.6667 -91.6667 -91.6621 -91.6621 -91.6616 -91.6616 -3.6106 -3.6106 -2.6069 -2.6069 -0.1362 -0.1362 3.0234 3.0234 4.4568 4.4568 4.4572 4.4572 5.6986 5.6986 5.6992 5.6992 7.2424 7.2424 8.8516 8.8516 8.8523 8.8523 9.9534 9.9534 10.3985 10.3985 10.6469 10.6469 11.0962 11.0962 k = 0.0000 0.0000 0.1351 ( 6630 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6686 -91.6686 -91.6667 -91.6667 -91.6621 -91.6621 -91.6616 -91.6616 -3.5861 -3.5861 -2.6679 -2.6679 -0.0312 -0.0312 2.8802 2.8802 4.4886 4.4886 4.4890 4.4890 5.6223 5.6223 5.6228 5.6228 7.3987 7.3987 8.9818 8.9818 8.9826 8.9826 9.9192 9.9192 10.3482 10.3482 10.6460 10.6460 11.0980 11.0980 k = 0.0000 0.0000 0.1454 ( 6630 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6686 -91.6686 -91.6668 -91.6668 -91.6621 -91.6621 -91.6616 -91.6616 -3.5597 -3.5597 -2.7277 -2.7277 0.0751 0.0751 2.7392 2.7392 4.5229 4.5229 4.5233 4.5233 5.5470 5.5470 5.5475 5.5475 7.5535 7.5535 9.1142 9.1142 9.1150 9.1150 9.8758 9.8758 10.3032 10.3032 10.6451 10.6451 11.0997 11.0997 k = 0.0000 0.0000 0.1558 ( 6638 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6686 -91.6686 -91.6668 -91.6668 -91.6621 -91.6621 -91.6616 -91.6616 -3.5316 -3.5316 -2.7860 -2.7860 0.1820 0.1820 2.6011 2.6011 4.5597 4.5597 4.5601 4.5601 5.4731 5.4731 5.4736 5.4736 7.7058 7.7058 9.2479 9.2479 9.2488 9.2488 9.8221 9.8221 10.2650 10.2650 10.6442 10.6442 11.1014 11.1014 k = 0.0000 0.0000 0.1662 ( 6646 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6685 -91.6685 -91.6668 -91.6668 -91.6621 -91.6621 -91.6616 -91.6616 -3.5019 -3.5019 -2.8427 -2.8427 0.2887 0.2887 2.4669 2.4669 4.5989 4.5989 4.5993 4.5993 5.4007 5.4007 5.4012 5.4012 7.8548 7.8548 9.3820 9.3820 9.3831 9.3831 9.7582 9.7582 10.2339 10.2339 10.6435 10.6435 11.1030 11.1030 k = 0.0000 0.0000 0.1766 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6685 -91.6685 -91.6668 -91.6668 -91.6621 -91.6621 -91.6615 -91.6615 -3.4706 -3.4706 -2.8975 -2.8975 0.3938 0.3938 2.3378 2.3378 4.6405 4.6405 4.6409 4.6409 5.3302 5.3302 5.3307 5.3307 7.9994 7.9994 9.5153 9.5153 9.5165 9.5165 9.6853 9.6853 10.2097 10.2097 10.6428 10.6428 11.1044 11.1044 k = 0.0000 0.0000 0.1870 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6685 -91.6685 -91.6669 -91.6669 -91.6621 -91.6621 -91.6615 -91.6615 -3.4381 -3.4381 -2.9501 -2.9501 0.4958 0.4958 2.2156 2.2156 4.6845 4.6845 4.6849 4.6849 5.2616 5.2616 5.2621 5.2621 8.1380 8.1380 9.6056 9.6056 9.6459 9.6459 9.6471 9.6471 10.1913 10.1913 10.6422 10.6422 11.1057 11.1057 k = 0.0000 0.0000 0.1974 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6685 -91.6685 -91.6669 -91.6669 -91.6621 -91.6621 -91.6615 -91.6615 -3.4047 -3.4047 -2.9999 -2.9999 0.5918 0.5918 2.1029 2.1029 4.7306 4.7306 4.7310 4.7310 5.1951 5.1951 5.1956 5.1956 8.2685 8.2685 9.5224 9.5224 9.7708 9.7708 9.7722 9.7722 10.1776 10.1776 10.6417 10.6417 11.1067 11.1067 k = 0.0000 0.0000 0.2078 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6685 -91.6685 -91.6669 -91.6669 -91.6621 -91.6621 -91.6615 -91.6615 -3.3715 -3.3715 -3.0459 -3.0459 0.6781 0.6781 2.0036 2.0036 4.7788 4.7788 4.7792 4.7792 5.1311 5.1311 5.1316 5.1316 8.3869 8.3869 9.4401 9.4401 9.8853 9.8853 9.8869 9.8869 10.1678 10.1678 10.6412 10.6412 11.1076 11.1076 k = 0.0000 0.0000 0.2182 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3403 -3.3403 -3.0863 -3.0863 0.7489 0.7489 1.9236 1.9236 4.8284 4.8284 4.8288 4.8288 5.0702 5.0702 5.0706 5.0706 8.4866 8.4866 9.3658 9.3658 9.9817 9.9817 9.9834 9.9834 10.1612 10.1612 10.6410 10.6410 11.1082 11.1082 k = 0.0000 0.0000 0.2285 ( 6662 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3156 -3.3156 -3.1166 -3.1166 0.7964 0.7964 1.8705 1.8705 4.8770 4.8770 4.8774 4.8774 5.0147 5.0147 5.0153 5.0153 8.5566 8.5566 9.3110 9.3110 10.0485 10.0485 10.0504 10.0504 10.1574 10.1574 10.6408 10.6408 11.1086 11.1086 k = 0.0000 0.0000 0.2389 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3054 -3.3054 -3.1286 -3.1286 0.8134 0.8134 1.8517 1.8517 4.9066 4.9066 4.9070 4.9070 4.9828 4.9828 4.9834 4.9834 8.5825 8.5825 9.2901 9.2901 10.0728 10.0728 10.0747 10.0747 10.1562 10.1562 10.6407 10.6407 11.1087 11.1087 k = 0.0000 0.0000 0.2389 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3054 -3.3054 -3.1286 -3.1286 0.8134 0.8134 1.8517 1.8517 4.9066 4.9066 4.9070 4.9070 4.9828 4.9828 4.9834 4.9834 8.5825 8.5825 9.2901 9.2901 10.0728 10.0728 10.0747 10.0747 10.1562 10.1562 10.6407 10.6407 11.1087 11.1087 k = 0.0000 0.0106 0.2389 ( 6662 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3044 -3.3044 -3.1276 -3.1276 0.8143 0.8143 1.8525 1.8525 4.8996 4.8996 4.9080 4.9080 4.9758 4.9758 4.9842 4.9842 8.5759 8.5759 9.2930 9.2930 10.0299 10.0299 10.0741 10.0741 10.1620 10.1620 10.6789 10.6789 11.1186 11.1186 k = 0.0000 0.0213 0.2389 ( 6666 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3012 -3.3012 -3.1245 -3.1245 0.8169 0.8169 1.8546 1.8546 4.8783 4.8783 4.9117 4.9117 4.9540 4.9540 4.9876 4.9876 8.5564 8.5564 9.3014 9.3014 9.9232 9.9232 10.0749 10.0749 10.1792 10.1792 10.7671 10.7671 11.1323 11.1327 k = 0.0000 0.0319 0.2389 ( 6662 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.2960 -3.2960 -3.1194 -3.1194 0.8214 0.8214 1.8582 1.8582 4.8433 4.8433 4.9179 4.9179 4.9181 4.9181 4.9933 4.9933 8.5243 8.5243 9.3146 9.3146 9.7871 9.7871 10.0763 10.0763 10.2071 10.2071 10.8674 10.8674 11.1345 11.1346 k = 0.0000 0.0426 0.2389 ( 6654 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2887 -3.2887 -3.1123 -3.1123 0.8276 0.8276 1.8633 1.8633 4.7953 4.7953 4.8691 4.8691 4.9265 4.9265 5.0012 5.0012 8.4802 8.4802 9.3309 9.3309 9.6387 9.6387 10.0783 10.0783 10.2444 10.2444 10.9588 10.9588 11.1420 11.1420 k = 0.0000 0.0532 0.2389 ( 6654 PWs) bands (ev): -91.7736 -91.7736 -91.7647 -91.7647 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2793 -3.2793 -3.1031 -3.1031 0.8355 0.8355 1.8697 1.8697 4.7353 4.7353 4.8078 4.8078 4.9376 4.9376 5.0113 5.0113 8.4249 8.4249 9.3435 9.3435 9.4909 9.4909 10.0807 10.0807 10.2892 10.2892 11.0361 11.0361 11.1566 11.1566 k = 0.0000 0.0638 0.2389 ( 6642 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7226 -91.7226 -91.7155 -91.7155 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2677 -3.2677 -3.0919 -3.0919 0.8452 0.8452 1.8774 1.8774 4.6643 4.6643 4.7353 4.7353 4.9511 4.9511 5.0237 5.0237 8.3595 8.3595 9.2873 9.2873 9.4111 9.4111 10.0835 10.0835 10.3392 10.3392 11.1036 11.1036 11.1795 11.1795 k = 0.0000 0.0745 0.2389 ( 6644 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6684 -91.6684 -91.6669 -91.6669 -91.6623 -91.6623 -91.6616 -91.6616 -3.2542 -3.2542 -3.0787 -3.0787 0.8565 0.8565 1.8865 1.8865 4.5837 4.5837 4.6530 4.6530 4.9670 4.9670 5.0383 5.0383 8.2849 8.2849 9.1383 9.1383 9.4240 9.4240 10.0867 10.0867 10.3916 10.3916 11.1660 11.1660 11.1965 11.1965 k = 0.0000 0.0851 0.2389 ( 6640 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6683 -91.6683 -91.6669 -91.6669 -91.6623 -91.6623 -91.6616 -91.6616 -3.2385 -3.2385 -3.0635 -3.0635 0.8694 0.8694 1.8968 1.8968 4.4944 4.4944 4.5620 4.5620 4.9854 4.9854 5.0551 5.0551 8.2024 8.2024 8.9767 8.9767 9.4496 9.4496 10.0902 10.0902 10.4437 10.4437 11.2156 11.2156 11.2253 11.2572 k = 0.0000 0.0957 0.2389 ( 6648 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6683 -91.6683 -91.6669 -91.6669 -91.6623 -91.6623 -91.6617 -91.6617 -3.2207 -3.2207 -3.0462 -3.0462 0.8839 0.8839 1.9082 1.9082 4.3979 4.3979 4.4636 4.4636 5.0061 5.0061 5.0741 5.0741 8.1130 8.1130 8.8127 8.8127 9.4778 9.4778 10.0938 10.0938 10.4928 10.4928 11.2371 11.2371 11.2818 11.2818 k = 0.0000 0.1064 0.2389 ( 6648 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6683 -91.6683 -91.6668 -91.6668 -91.6624 -91.6624 -91.6617 -91.6617 -3.2009 -3.2009 -3.0269 -3.0269 0.8999 0.8999 1.9206 1.9206 4.2952 4.2952 4.3590 4.3590 5.0292 5.0292 5.0953 5.0953 8.0176 8.0176 8.6481 8.6481 9.5067 9.5067 10.0975 10.0975 10.5371 10.5371 11.2610 11.2610 11.3352 11.3352 k = 0.0000 0.1170 0.2389 ( 6640 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6682 -91.6682 -91.6668 -91.6668 -91.6624 -91.6624 -91.6618 -91.6618 -3.1791 -3.1791 -3.0057 -3.0057 0.9172 0.9172 1.9340 1.9340 4.1876 4.1876 4.2492 4.2492 5.0547 5.0547 5.1186 5.1186 7.9173 7.9173 8.4834 8.4834 9.5356 9.5356 10.1011 10.1011 10.5759 10.5759 11.2872 11.2872 11.3849 11.3849 k = 0.0000 0.1277 0.2389 ( 6620 PWs) bands (ev): -91.7732 -91.7732 -91.7648 -91.7648 -91.7223 -91.7223 -91.7157 -91.7157 -91.6682 -91.6682 -91.6668 -91.6668 -91.6624 -91.6624 -91.6618 -91.6618 -3.1552 -3.1552 -2.9824 -2.9824 0.9359 0.9359 1.9480 1.9480 4.0761 4.0761 4.1353 4.1353 5.0825 5.0825 5.1440 5.1440 7.8129 7.8129 8.3192 8.3192 9.5642 9.5642 10.1045 10.1045 10.6089 10.6089 11.3156 11.3156 11.4306 11.4306 k = 0.0000 0.1383 0.2389 ( 6626 PWs) bands (ev): -91.7731 -91.7731 -91.7649 -91.7649 -91.7223 -91.7223 -91.7157 -91.7157 -91.6681 -91.6681 -91.6668 -91.6668 -91.6625 -91.6625 -91.6619 -91.6619 -3.1292 -3.1292 -2.9572 -2.9572 0.9557 0.9557 1.9624 1.9624 3.9618 3.9618 4.0184 4.0184 5.1126 5.1126 5.1715 5.1715 7.7050 7.7050 8.1555 8.1555 9.5922 9.5922 10.1075 10.1075 10.6367 10.6367 11.3461 11.3461 11.4724 11.4724 k = 0.0000 0.1489 0.2389 ( 6630 PWs) bands (ev): -91.7730 -91.7730 -91.7649 -91.7649 -91.7222 -91.7222 -91.7158 -91.7158 -91.6681 -91.6681 -91.6668 -91.6668 -91.6625 -91.6625 -91.6619 -91.6619 -3.1012 -3.1012 -2.9299 -2.9299 0.9764 0.9764 1.9770 1.9770 3.8457 3.8457 3.8993 3.8993 5.1449 5.1449 5.2011 5.2011 7.5943 7.5943 7.9928 7.9928 9.6195 9.6195 10.1101 10.1101 10.6599 10.6599 11.3786 11.3786 11.5106 11.5106 k = 0.0000 0.1596 0.2389 ( 6630 PWs) bands (ev): -91.7729 -91.7729 -91.7650 -91.7650 -91.7222 -91.7222 -91.7158 -91.7158 -91.6680 -91.6680 -91.6668 -91.6668 -91.6626 -91.6626 -91.6620 -91.6620 -3.0712 -3.0712 -2.9008 -2.9008 0.9980 0.9980 1.9912 1.9912 3.7291 3.7291 3.7790 3.7790 5.1795 5.1795 5.2327 5.2327 7.4814 7.4814 7.8310 7.8310 9.6462 9.6462 10.1119 10.1119 10.6794 10.6794 11.4128 11.4128 11.5457 11.5457 k = 0.0000 0.1702 0.2389 ( 6636 PWs) bands (ev): -91.7728 -91.7728 -91.7650 -91.7650 -91.7221 -91.7221 -91.7159 -91.7159 -91.6680 -91.6680 -91.6667 -91.6667 -91.6627 -91.6627 -91.6620 -91.6620 -3.0392 -3.0392 -2.8697 -2.8697 1.0200 1.0200 2.0045 2.0045 3.6131 3.6131 3.6582 3.6582 5.2162 5.2162 5.2662 5.2662 7.3667 7.3667 7.6704 7.6704 9.6724 9.6724 10.1128 10.1128 10.6957 10.6957 11.4486 11.4486 11.5783 11.5783 k = 0.0000 0.1809 0.2389 ( 6640 PWs) bands (ev): -91.7727 -91.7727 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6679 -91.6679 -91.6667 -91.6667 -91.6627 -91.6627 -91.6621 -91.6621 -3.0052 -3.0052 -2.8366 -2.8366 1.0422 1.0422 2.0162 2.0162 3.4989 3.4989 3.5379 3.5379 5.2551 5.2551 5.3017 5.3017 7.2507 7.2507 7.5109 7.5109 9.6980 9.6980 10.1126 10.1126 10.7095 10.7095 11.4856 11.4856 11.6087 11.6087 k = 0.0000 0.1915 0.2389 ( 6652 PWs) bands (ev): -91.7726 -91.7726 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6679 -91.6679 -91.6667 -91.6667 -91.6628 -91.6628 -91.6622 -91.6622 -2.9693 -2.9693 -2.8017 -2.8017 1.0643 1.0643 2.0251 2.0251 3.3882 3.3882 3.4188 3.4188 5.2960 5.2960 5.3391 5.3391 7.1337 7.1337 7.3528 7.3528 9.7232 9.7232 10.1112 10.1112 10.7211 10.7211 11.5232 11.5232 11.6375 11.6375 k = 0.0000 0.2021 0.2389 ( 6652 PWs) bands (ev): -91.7725 -91.7725 -91.7652 -91.7652 -91.7219 -91.7219 -91.7161 -91.7161 -91.6678 -91.6678 -91.6667 -91.6667 -91.6629 -91.6629 -91.6622 -91.6622 -2.9314 -2.9314 -2.7648 -2.7648 1.0856 1.0856 2.0299 2.0299 3.2827 3.2827 3.3020 3.3020 5.3390 5.3390 5.3782 5.3782 7.0160 7.0160 7.1961 7.1961 9.7480 9.7480 10.1082 10.1082 10.7308 10.7308 11.5609 11.5609 11.6650 11.6650 k = 0.0000 0.2128 0.2389 ( 6636 PWs) bands (ev): -91.7724 -91.7724 -91.7653 -91.7653 -91.7218 -91.7218 -91.7162 -91.7162 -91.6677 -91.6677 -91.6666 -91.6666 -91.6629 -91.6629 -91.6623 -91.6623 -2.8916 -2.8916 -2.7262 -2.7262 1.1057 1.1057 2.0287 2.0287 3.1846 3.1846 3.1884 3.1884 5.3838 5.3838 5.4191 5.4191 6.8979 6.8979 7.0409 7.0409 9.7725 9.7725 10.1036 10.1036 10.7389 10.7389 11.5978 11.5978 11.6914 11.6914 k = 0.0000 0.2234 0.2389 ( 6632 PWs) bands (ev): -91.7723 -91.7723 -91.7653 -91.7653 -91.7218 -91.7218 -91.7162 -91.7162 -91.6677 -91.6677 -91.6666 -91.6666 -91.6630 -91.6630 -91.6624 -91.6624 -2.8499 -2.8499 -2.6857 -2.6857 1.1237 1.1237 2.0193 2.0193 3.0791 3.0791 3.0965 3.0965 5.4306 5.4306 5.4617 5.4617 6.7797 6.7797 6.8872 6.8872 9.7969 9.7969 10.0970 10.0970 10.7455 10.7455 11.6325 11.6325 11.7171 11.7171 k = 0.0000 0.2340 0.2389 ( 6624 PWs) bands (ev): -91.7721 -91.7721 -91.7654 -91.7654 -91.7217 -91.7217 -91.7163 -91.7163 -91.6676 -91.6676 -91.6666 -91.6666 -91.6631 -91.6631 -91.6625 -91.6625 -2.8063 -2.8063 -2.6434 -2.6434 1.1387 1.1387 1.9993 1.9993 2.9753 2.9753 3.0212 3.0212 5.4790 5.4790 5.5059 5.5059 6.6615 6.6615 6.7351 6.7351 9.8211 9.8211 10.0883 10.0883 10.7506 10.7506 11.6630 11.6630 11.7421 11.7421 k = 0.0000 0.2447 0.2389 ( 6630 PWs) bands (ev): -91.7720 -91.7720 -91.7655 -91.7655 -91.7216 -91.7216 -91.7164 -91.7164 -91.6675 -91.6675 -91.6666 -91.6666 -91.6631 -91.6631 -91.6625 -91.6625 -2.7609 -2.7609 -2.5993 -2.5993 1.1496 1.1496 1.9663 1.9663 2.8784 2.8784 2.9612 2.9612 5.5292 5.5292 5.5516 5.5516 6.5436 6.5436 6.5847 6.5847 9.8452 9.8452 10.0774 10.0774 10.7544 10.7544 11.6865 11.6865 11.7666 11.7666 k = 0.0000 0.2553 0.2389 ( 6630 PWs) bands (ev): -91.7719 -91.7719 -91.7655 -91.7655 -91.7215 -91.7215 -91.7165 -91.7165 -91.6675 -91.6675 -91.6665 -91.6665 -91.6632 -91.6632 -91.6626 -91.6626 -2.7137 -2.7137 -2.5536 -2.5536 1.1550 1.1550 1.9189 1.9189 2.7900 2.7900 2.9182 2.9182 5.5809 5.5809 5.5988 5.5988 6.4261 6.4261 6.4360 6.4360 9.8693 9.8693 10.0642 10.0642 10.7569 10.7569 11.6990 11.6990 11.7906 11.7906 k = 0.0000 0.2660 0.2389 ( 6642 PWs) bands (ev): -91.7717 -91.7717 -91.7656 -91.7656 -91.7214 -91.7214 -91.7166 -91.7166 -91.6674 -91.6674 -91.6665 -91.6665 -91.6633 -91.6633 -91.6627 -91.6627 -2.6648 -2.6648 -2.5062 -2.5062 1.1537 1.1537 1.8574 1.8574 2.7118 2.7118 2.8922 2.8922 5.6340 5.6340 5.6472 5.6472 6.2890 6.2890 6.3092 6.3092 9.8934 9.8934 10.0484 10.0484 10.7581 10.7581 11.6955 11.6955 11.8142 11.8142 k = 0.0000 0.2766 0.2389 ( 6648 PWs) bands (ev): -91.7716 -91.7716 -91.7657 -91.7657 -91.7213 -91.7213 -91.7167 -91.7167 -91.6673 -91.6673 -91.6665 -91.6665 -91.6634 -91.6634 -91.6628 -91.6628 -2.6142 -2.6142 -2.4572 -2.4572 1.1440 1.1440 1.7831 1.7831 2.6454 2.6454 2.8820 2.8820 5.6883 5.6883 5.6968 5.6968 6.1439 6.1439 6.1929 6.1929 9.9176 9.9176 10.0302 10.0302 10.7578 10.7578 11.6709 11.6709 11.8374 11.8374 k = 0.0000 0.2872 0.2389 ( 6646 PWs) bands (ev): -91.7714 -91.7714 -91.7658 -91.7658 -91.7212 -91.7212 -91.7168 -91.7168 -91.6672 -91.6672 -91.6664 -91.6664 -91.6635 -91.6635 -91.6629 -91.6629 -2.5620 -2.5620 -2.4067 -2.4067 1.1249 1.1249 1.6983 1.6983 2.5922 2.5922 2.8856 2.8856 5.7438 5.7438 5.7474 5.7474 6.0006 6.0006 6.0775 6.0775 9.9419 9.9419 10.0094 10.0094 10.7563 10.7563 11.6221 11.6221 11.8603 11.8603 k = 0.0000 0.2979 0.2389 ( 6646 PWs) bands (ev): -91.7713 -91.7713 -91.7659 -91.7659 -91.7211 -91.7211 -91.7169 -91.7169 -91.6671 -91.6671 -91.6664 -91.6664 -91.6635 -91.6635 -91.6630 -91.6630 -2.5082 -2.5082 -2.3548 -2.3548 1.0955 1.0955 1.6057 1.6057 2.5532 2.5532 2.9005 2.9005 5.7990 5.7990 5.8002 5.8002 5.8591 5.8591 5.9630 5.9630 9.9663 9.9663 9.9862 9.9862 10.7533 10.7533 11.5497 11.5497 11.8827 11.8827 k = 0.0000 0.3085 0.2389 ( 6646 PWs) bands (ev): -91.7711 -91.7711 -91.7660 -91.7660 -91.7210 -91.7210 -91.7170 -91.7170 -91.6670 -91.6670 -91.6663 -91.6663 -91.6636 -91.6636 -91.6631 -91.6631 -2.4530 -2.4530 -2.3016 -2.3016 1.0556 1.0556 1.5075 1.5075 2.5290 2.5290 2.9246 2.9246 5.7196 5.7196 5.8496 5.8496 5.8513 5.8513 5.8573 5.8573 9.9608 9.9608 9.9908 9.9908 10.7488 10.7488 11.4580 11.4580 11.9046 11.9046 k = 0.0000 0.3191 0.2389 ( 6642 PWs) bands (ev): -91.7710 -91.7710 -91.7661 -91.7661 -91.7209 -91.7209 -91.7171 -91.7171 -91.6669 -91.6669 -91.6663 -91.6663 -91.6637 -91.6637 -91.6632 -91.6632 -2.3965 -2.3965 -2.2472 -2.2472 1.0057 1.0057 1.4057 1.4057 2.5191 2.5191 2.9562 2.9562 5.5821 5.5821 5.7372 5.7372 5.9041 5.9041 5.9148 5.9148 9.9333 9.9333 10.0155 10.0155 10.7429 10.7429 11.3524 11.3524 11.9260 11.9260 k = 0.0000 0.3298 0.2389 ( 6640 PWs) bands (ev): -91.7708 -91.7708 -91.7662 -91.7662 -91.7208 -91.7208 -91.7172 -91.7172 -91.6668 -91.6668 -91.6662 -91.6662 -91.6638 -91.6638 -91.6633 -91.6633 -2.3387 -2.3387 -2.1918 -2.1918 0.9469 0.9469 1.3017 1.3017 2.5228 2.5228 2.9940 2.9940 5.4465 5.4465 5.6261 5.6261 5.9572 5.9572 5.9725 5.9725 9.9041 9.9041 10.0403 10.0403 10.7356 10.7356 11.2380 11.2380 11.9468 11.9468 k = 0.0000 0.3404 0.2389 ( 6636 PWs) bands (ev): -91.7707 -91.7707 -91.7663 -91.7663 -91.7207 -91.7207 -91.7173 -91.7173 -91.6667 -91.6667 -91.6662 -91.6662 -91.6639 -91.6639 -91.6634 -91.6634 -2.2798 -2.2798 -2.1355 -2.1355 0.8808 0.8808 1.1968 1.1968 2.5387 2.5387 3.0369 3.0369 5.3130 5.3130 5.5162 5.5162 6.0105 6.0105 6.0301 6.0301 9.8736 9.8736 10.0653 10.0653 10.7267 10.7267 11.1187 11.1187 11.9669 11.9669 k = 0.0000 0.3511 0.2389 ( 6632 PWs) bands (ev): -91.7705 -91.7705 -91.7664 -91.7664 -91.7206 -91.7206 -91.7174 -91.7174 -91.6667 -91.6667 -91.6661 -91.6661 -91.6640 -91.6640 -91.6635 -91.6635 -2.2199 -2.2199 -2.0786 -2.0786 0.8090 0.8090 1.0920 1.0920 2.5655 2.5655 3.0843 3.0843 5.1815 5.1815 5.4076 5.4076 6.0635 6.0635 6.0873 6.0873 9.8423 9.8423 10.0904 10.0904 10.7164 10.7164 10.9973 10.9973 11.9863 11.9863 k = 0.0000 0.3617 0.2389 ( 6628 PWs) bands (ev): -91.7704 -91.7704 -91.7665 -91.7665 -91.7205 -91.7205 -91.7175 -91.7175 -91.6666 -91.6666 -91.6661 -91.6661 -91.6641 -91.6641 -91.6636 -91.6636 -2.1594 -2.1594 -2.0214 -2.0214 0.7333 0.7333 0.9881 0.9881 2.6017 2.6017 3.1355 3.1355 5.0522 5.0522 5.3004 5.3004 6.1161 6.1161 6.1436 6.1436 9.8107 9.8107 10.1157 10.1157 10.7047 10.7047 10.8758 10.8758 12.0048 12.0048 k = 0.0000 0.3723 0.2389 ( 6630 PWs) bands (ev): -91.7702 -91.7702 -91.7666 -91.7666 -91.7204 -91.7204 -91.7176 -91.7176 -91.6665 -91.6665 -91.6660 -91.6660 -91.6641 -91.6641 -91.6637 -91.6637 -2.0984 -2.0984 -1.9641 -1.9641 0.6552 0.6552 0.8858 0.8858 2.6461 2.6461 3.1901 3.1901 4.9250 4.9250 5.1947 5.1947 6.1680 6.1680 6.1986 6.1986 9.7795 9.7795 10.1411 10.1411 10.6915 10.6915 10.7557 10.7557 12.0224 12.0224 k = 0.0000 0.3830 0.2389 ( 6630 PWs) bands (ev): -91.7700 -91.7700 -91.7668 -91.7668 -91.7203 -91.7203 -91.7177 -91.7177 -91.6664 -91.6664 -91.6660 -91.6660 -91.6642 -91.6642 -91.6638 -91.6638 -2.0372 -2.0372 -1.9071 -1.9071 0.5763 0.5763 0.7857 0.7857 2.6977 2.6977 3.2478 3.2478 4.8000 4.8000 5.0904 5.0904 6.2187 6.2187 6.2518 6.2518 9.7495 9.7495 10.1667 10.1667 10.6383 10.6383 10.6770 10.6770 12.0390 12.0390 k = 0.0000 0.3936 0.2389 ( 6634 PWs) bands (ev): -91.7699 -91.7699 -91.7669 -91.7669 -91.7202 -91.7202 -91.7178 -91.7178 -91.6663 -91.6663 -91.6659 -91.6659 -91.6643 -91.6643 -91.6639 -91.6639 -1.9762 -1.9762 -1.8511 -1.8511 0.4981 0.4981 0.6885 0.6885 2.7555 2.7555 3.3083 3.3083 4.6772 4.6772 4.9877 4.9877 6.2678 6.2678 6.3028 6.3028 9.7213 9.7213 10.1924 10.1924 10.5244 10.5244 10.6611 10.6611 12.0545 12.0545 k = 0.0000 0.4043 0.2389 ( 6638 PWs) bands (ev): -91.7697 -91.7697 -91.7670 -91.7670 -91.7201 -91.7201 -91.7179 -91.7179 -91.6662 -91.6662 -91.6659 -91.6659 -91.6644 -91.6644 -91.6640 -91.6640 -1.9158 -1.9158 -1.7965 -1.7965 0.4218 0.4218 0.5948 0.5948 2.8187 2.8187 3.3713 3.3713 4.5568 4.5568 4.8867 4.8867 6.3150 6.3150 6.3510 6.3510 9.6959 9.6959 10.2181 10.2181 10.4148 10.4148 10.6441 10.6441 12.0688 12.0688 k = 0.0000 0.4149 0.2389 ( 6650 PWs) bands (ev): -91.7696 -91.7696 -91.7671 -91.7671 -91.7199 -91.7199 -91.7180 -91.7180 -91.6661 -91.6661 -91.6658 -91.6658 -91.6645 -91.6645 -91.6641 -91.6641 -1.8566 -1.8566 -1.7441 -1.7441 0.3490 0.3490 0.5053 0.5053 2.8869 2.8869 3.4368 3.4368 4.4388 4.4388 4.7872 4.7872 6.3598 6.3598 6.3959 6.3959 9.6741 9.6741 10.2440 10.2440 10.3104 10.3104 10.6258 10.6258 12.0820 12.0820 k = 0.0000 0.4255 0.2389 ( 6664 PWs) bands (ev): -91.7694 -91.7694 -91.7673 -91.7673 -91.7198 -91.7198 -91.7182 -91.7182 -91.6660 -91.6660 -91.6658 -91.6658 -91.6645 -91.6645 -91.6642 -91.6642 -1.7993 -1.7993 -1.6947 -1.6947 0.2808 0.2808 0.4209 0.4209 2.9595 2.9595 3.5044 3.5044 4.3234 4.3234 4.6895 4.6895 6.4017 6.4017 6.4367 6.4367 9.6568 9.6568 10.2116 10.2116 10.2698 10.2698 10.6065 10.6065 12.0939 12.0939 k = 0.0000 0.4362 0.2389 ( 6662 PWs) bands (ev): -91.7692 -91.7692 -91.7674 -91.7674 -91.7197 -91.7197 -91.7183 -91.7183 -91.6659 -91.6659 -91.6657 -91.6657 -91.6646 -91.6646 -91.6644 -91.6644 -1.7446 -1.7446 -1.6496 -1.6496 0.2188 0.2188 0.3424 0.3424 3.0360 3.0360 3.5737 3.5737 4.2109 4.2109 4.5935 4.5935 6.4400 6.4400 6.4730 6.4730 9.6449 9.6449 10.1193 10.1193 10.2957 10.2957 10.5861 10.5861 12.1046 12.1046 k = 0.0000 0.4468 0.2389 ( 6656 PWs) bands (ev): -91.7691 -91.7691 -91.7676 -91.7676 -91.7196 -91.7196 -91.7184 -91.7184 -91.6658 -91.6658 -91.6656 -91.6656 -91.6647 -91.6647 -91.6645 -91.6645 -1.6935 -1.6935 -1.6097 -1.6097 0.1646 0.1646 0.2707 0.2707 3.1163 3.1163 3.6440 3.6440 4.1019 4.1019 4.4993 4.4993 6.4744 6.4744 6.5041 6.5041 9.6392 9.6392 10.0338 10.0338 10.3215 10.3215 10.5649 10.5649 12.1140 12.1140 k = 0.0000 0.4574 0.2389 ( 6648 PWs) bands (ev): -91.7689 -91.7689 -91.7677 -91.7677 -91.7195 -91.7195 -91.7185 -91.7185 -91.6657 -91.6657 -91.6656 -91.6656 -91.6648 -91.6648 -91.6646 -91.6646 -1.6471 -1.6471 -1.5766 -1.5766 0.1196 0.1196 0.2072 0.2072 3.1999 3.1999 3.7129 3.7129 3.9990 3.9990 4.4070 4.4070 6.5043 6.5043 6.5296 6.5296 9.6405 9.6405 9.9559 9.9559 10.3473 10.3473 10.5428 10.5428 12.1221 12.1221 k = 0.0000 0.4681 0.2389 ( 6652 PWs) bands (ev): -91.7688 -91.7688 -91.7678 -91.7678 -91.7194 -91.7194 -91.7186 -91.7186 -91.6656 -91.6656 -91.6655 -91.6655 -91.6648 -91.6648 -91.6646 -91.6646 -1.6067 -1.6067 -1.5514 -1.5514 0.0854 0.0854 0.1530 0.1530 3.2866 3.2866 3.7668 3.7668 3.9157 3.9157 4.3167 4.3167 6.5290 6.5290 6.5490 6.5490 9.6495 9.6495 9.8859 9.8859 10.3729 10.3729 10.5200 10.5200 12.1291 12.1291 k = 0.0000 0.4787 0.2389 ( 6656 PWs) bands (ev): -91.7686 -91.7686 -91.7680 -91.7680 -91.7192 -91.7192 -91.7187 -91.7187 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6647 -91.6647 -1.5735 -1.5735 -1.5354 -1.5354 0.0634 0.0634 0.1096 0.1096 3.3762 3.3762 3.7419 3.7419 3.9158 3.9158 4.2284 4.2284 6.5482 6.5482 6.5620 6.5620 9.6668 9.6668 9.8244 9.8244 10.3983 10.3983 10.4966 10.4966 12.1350 12.1350 k = 0.0000 0.4894 0.2389 ( 6660 PWs) bands (ev): -91.7684 -91.7684 -91.7681 -91.7681 -91.7191 -91.7191 -91.7189 -91.7189 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6648 -91.6648 -1.5490 -1.5490 -1.5295 -1.5295 0.0546 0.0546 0.0780 0.0780 3.4683 3.4683 3.6563 3.6563 3.9811 3.9811 4.1425 4.1425 6.5613 6.5613 6.5684 6.5684 9.6928 9.6928 9.7715 9.7715 10.4234 10.4234 10.4727 10.4727 12.1397 12.1398 k = 0.0000 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5340 -1.5340 -1.5340 -1.5340 0.0595 0.0595 0.0595 0.0595 3.5623 3.5623 3.5623 3.5623 4.0595 4.0595 4.0595 4.0595 6.5682 6.5682 6.5682 6.5682 9.7276 9.7276 9.7276 9.7276 10.4482 10.4482 10.4482 10.4482 12.1435 12.1435 k = 0.0000 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5340 -1.5340 -1.5340 -1.5340 0.0595 0.0595 0.0595 0.0595 3.5623 3.5623 3.5623 3.5623 4.0595 4.0595 4.0595 4.0595 6.5682 6.5682 6.5682 6.5682 9.7276 9.7276 9.7276 9.7276 10.4482 10.4482 10.4482 10.4482 12.1435 12.1435 k = 0.0106 0.5000 0.2389 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5332 -1.5332 -1.5332 -1.5332 0.0607 0.0607 0.0607 0.0607 3.5628 3.5628 3.5628 3.5628 4.0597 4.0597 4.0597 4.0597 6.5627 6.5627 6.5627 6.5627 9.6859 9.6859 9.6859 9.6859 10.4883 10.4883 10.4883 10.4883 12.1505 12.1505 k = 0.0213 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5306 -1.5306 -1.5306 -1.5306 0.0641 0.0641 0.0641 0.0641 3.5645 3.5645 3.5645 3.5645 4.0601 4.0601 4.0601 4.0601 6.5463 6.5463 6.5464 6.5464 9.5806 9.5806 9.5806 9.5806 10.5885 10.5885 10.5886 10.5886 12.1715 12.1715 k = 0.0319 0.5000 0.2389 ( 6648 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.5264 -1.5264 -1.5264 -1.5264 0.0699 0.0699 0.0699 0.0699 3.5672 3.5672 3.5672 3.5672 4.0608 4.0608 4.0609 4.0609 6.5195 6.5195 6.5195 6.5195 9.4416 9.4416 9.4416 9.4416 10.7189 10.7189 10.7189 10.7189 12.2059 12.2060 k = 0.0426 0.5000 0.2389 ( 6652 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.5204 -1.5204 -1.5204 -1.5204 0.0780 0.0780 0.0780 0.0780 3.5711 3.5711 3.5711 3.5711 4.0618 4.0618 4.0619 4.0619 6.4826 6.4826 6.4826 6.4826 9.2860 9.2860 9.2860 9.2860 10.8618 10.8618 10.8618 10.8618 12.2533 12.2533 k = 0.0532 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.5128 -1.5128 -1.5128 -1.5128 0.0885 0.0885 0.0885 0.0885 3.5759 3.5759 3.5759 3.5759 4.0631 4.0631 4.0631 4.0631 6.4363 6.4363 6.4364 6.4364 9.1218 9.1218 9.1218 9.1218 11.0086 11.0086 11.0086 11.0086 12.3127 12.3128 k = 0.0638 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.5035 -1.5035 -1.5035 -1.5035 0.1012 0.1012 0.1012 0.1012 3.5817 3.5817 3.5817 3.5817 4.0645 4.0645 4.0646 4.0646 6.3815 6.3815 6.3816 6.3816 8.9529 8.9529 8.9529 8.9529 11.1547 11.1547 11.1547 11.1547 12.3831 12.3832 k = 0.0745 0.5000 0.2389 ( 6676 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4925 -1.4925 -1.4925 -1.4925 0.1163 0.1163 0.1163 0.1163 3.5884 3.5884 3.5884 3.5884 4.0661 4.0661 4.0662 4.0662 6.3190 6.3190 6.3192 6.3192 8.7813 8.7813 8.7813 8.7813 11.2967 11.2967 11.2967 11.2967 12.4631 12.4633 k = 0.0851 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4798 -1.4798 -1.4798 -1.4798 0.1336 0.1336 0.1336 0.1336 3.5959 3.5959 3.5959 3.5959 4.0678 4.0678 4.0679 4.0679 6.2498 6.2498 6.2500 6.2500 8.6084 8.6084 8.6084 8.6084 11.4322 11.4322 11.4322 11.4322 12.5511 12.5513 k = 0.0957 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4656 -1.4656 -1.4655 -1.4655 0.1533 0.1533 0.1533 0.1533 3.6041 3.6041 3.6041 3.6041 4.0696 4.0696 4.0698 4.0698 6.1749 6.1749 6.1751 6.1751 8.4349 8.4349 8.4350 8.4350 11.5585 11.5585 11.5585 11.5585 12.6445 12.6447 k = 0.1064 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4496 -1.4496 -1.4496 -1.4496 0.1753 0.1753 0.1753 0.1753 3.6128 3.6128 3.6128 3.6128 4.0714 4.0714 4.0716 4.0716 6.0952 6.0952 6.0954 6.0954 8.2615 8.2615 8.2615 8.2615 11.6732 11.6732 11.6733 11.6733 12.7390 12.7392 k = 0.1170 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4321 -1.4321 -1.4321 -1.4321 0.1996 0.1996 0.1996 0.1996 3.6219 3.6219 3.6219 3.6219 4.0732 4.0732 4.0733 4.0733 6.0117 6.0117 6.0120 6.0120 8.0884 8.0884 8.0885 8.0885 11.7739 11.7739 11.7739 11.7739 12.8263 12.8266 k = 0.1277 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7682 -91.7682 -91.7682 -91.7682 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -91.6649 -91.6649 -1.4130 -1.4130 -1.4130 -1.4130 0.2261 0.2261 0.2261 0.2261 3.6310 3.6310 3.6310 3.6310 4.0749 4.0749 4.0750 4.0750 5.9254 5.9254 5.9257 5.9257 7.9161 7.9161 7.9161 7.9161 11.8581 11.8581 11.8582 11.8582 12.8897 12.8898 k = 0.1383 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.3923 -1.3923 -1.3923 -1.3923 0.2550 0.2550 0.2550 0.2550 3.6399 3.6399 3.6400 3.6400 4.0764 4.0764 4.0766 4.0766 5.8372 5.8372 5.8374 5.8374 7.7448 7.7448 7.7449 7.7449 11.9240 11.9240 11.9241 11.9241 12.9054 12.9057 k = 0.1489 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.3701 -1.3701 -1.3700 -1.3700 0.2862 0.2862 0.2862 0.2862 3.6483 3.6483 3.6483 3.6483 4.0779 4.0779 4.0781 4.0781 5.7479 5.7479 5.7482 5.7482 7.5748 7.5748 7.5749 7.5749 11.9704 11.9704 11.9705 11.9705 12.8663 12.8665 k = 0.1596 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.3463 -1.3463 -1.3463 -1.3463 0.3196 0.3196 0.3197 0.3197 3.6556 3.6556 3.6557 3.6557 4.0793 4.0793 4.0795 4.0795 5.6586 5.6586 5.6589 5.6589 7.4063 7.4063 7.4064 7.4064 11.9970 11.9970 11.9972 11.9972 12.7900 12.7900 k = 0.1702 0.5000 0.2389 ( 6680 PWs) bands (ev): -91.7681 -91.7681 -91.7681 -91.7681 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.3211 -1.3211 -1.3211 -1.3211 0.3554 0.3554 0.3554 0.3554 3.6614 3.6614 3.6614 3.6614 4.0807 4.0807 4.0809 4.0809 5.5700 5.5700 5.5704 5.5704 7.2395 7.2395 7.2396 7.2396 12.0046 12.0046 12.0048 12.0048 12.6940 12.6940 k = 0.1809 0.5000 0.2389 ( 6672 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.2945 -1.2945 -1.2945 -1.2945 0.3934 0.3934 0.3934 0.3934 3.6648 3.6648 3.6648 3.6648 4.0824 4.0824 4.0826 4.0826 5.4830 5.4830 5.4835 5.4835 7.0747 7.0747 7.0748 7.0748 11.9948 11.9948 11.9949 11.9949 12.5879 12.5879 k = 0.1915 0.5000 0.2389 ( 6672 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.2664 -1.2664 -1.2664 -1.2664 0.4337 0.4337 0.4337 0.4337 3.6650 3.6650 3.6651 3.6651 4.0845 4.0845 4.0847 4.0847 5.3985 5.3985 5.3989 5.3989 6.9120 6.9120 6.9121 6.9121 11.9697 11.9697 11.9699 11.9699 12.4765 12.4765 k = 0.2021 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6650 -91.6650 -91.6650 -91.6650 -1.2370 -1.2370 -1.2370 -1.2370 0.4762 0.4762 0.4762 0.4762 3.6612 3.6612 3.6613 3.6613 4.0874 4.0874 4.0877 4.0877 5.3171 5.3171 5.3175 5.3175 6.7518 6.7518 6.7519 6.7519 11.9318 11.9318 11.9320 11.9320 12.3625 12.3625 k = 0.2128 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7680 -91.7680 -91.7680 -91.7680 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6651 -91.6651 -91.6651 -91.6651 -1.2064 -1.2064 -1.2064 -1.2064 0.5210 0.5210 0.5210 0.5210 3.6524 3.6524 3.6525 3.6525 4.0915 4.0915 4.0918 4.0918 5.2394 5.2394 5.2399 5.2399 6.5943 6.5943 6.5944 6.5944 11.8834 11.8834 11.8835 11.8835 12.2475 12.2475 k = 0.2234 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.1745 -1.1745 -1.1745 -1.1745 0.5680 0.5680 0.5680 0.5680 3.6377 3.6377 3.6378 3.6378 4.0972 4.0972 4.0974 4.0974 5.1661 5.1661 5.1666 5.1666 6.4398 6.4398 6.4399 6.4399 11.8265 11.8265 11.8267 11.8267 12.1329 12.1329 k = 0.2340 0.5000 0.2389 ( 6664 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.1414 -1.1414 -1.1414 -1.1414 0.6173 0.6173 0.6173 0.6173 3.6164 3.6164 3.6165 3.6165 4.1046 4.1046 4.1048 4.1048 5.0973 5.0973 5.0978 5.0978 6.2888 6.2888 6.2889 6.2889 11.7629 11.7629 11.7631 11.7631 12.0196 12.0196 k = 0.2447 0.5000 0.2389 ( 6672 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.1073 -1.1073 -1.1072 -1.1072 0.6687 0.6687 0.6688 0.6688 3.5881 3.5881 3.5883 3.5883 4.1139 4.1139 4.1141 4.1141 5.0330 5.0330 5.0336 5.0336 6.1418 6.1418 6.1419 6.1419 11.6937 11.6937 11.6939 11.6939 11.9089 11.9089 k = 0.2553 0.5000 0.2389 ( 6672 PWs) bands (ev): -91.7679 -91.7679 -91.7679 -91.7679 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.0721 -1.0721 -1.0721 -1.0721 0.7224 0.7224 0.7224 0.7224 3.5528 3.5528 3.5530 3.5530 4.1249 4.1249 4.1251 4.1251 4.9731 4.9731 4.9737 4.9737 5.9995 5.9995 5.9997 5.9997 11.6196 11.6196 11.6198 11.6198 11.8018 11.8019 k = 0.2660 0.5000 0.2389 ( 6680 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -1.0360 -1.0360 -1.0360 -1.0360 0.7782 0.7782 0.7782 0.7782 3.5107 3.5107 3.5110 3.5110 4.1373 4.1373 4.1375 4.1375 4.9168 4.9168 4.9174 4.9174 5.8628 5.8628 5.8630 5.8630 11.5408 11.5408 11.5409 11.5409 11.7000 11.7000 k = 0.2766 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -0.9991 -0.9991 -0.9991 -0.9991 0.8362 0.8362 0.8362 0.8362 3.4625 3.4625 3.4627 3.4627 4.1506 4.1506 4.1508 4.1508 4.8630 4.8630 4.8637 4.8637 5.7329 5.7329 5.7331 5.7331 11.4573 11.4573 11.4575 11.4575 11.6044 11.6045 k = 0.2872 0.5000 0.2389 ( 6672 PWs) bands (ev): -91.7678 -91.7678 -91.7678 -91.7678 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6651 -91.6651 -91.6651 -91.6651 -0.9615 -0.9615 -0.9615 -0.9615 0.8963 0.8963 0.8963 0.8963 3.4088 3.4088 3.4091 3.4091 4.1640 4.1640 4.1642 4.1642 4.8105 4.8105 4.8111 4.8111 5.6112 5.6112 5.6114 5.6114 11.3697 11.3697 11.3699 11.3699 11.5159 11.5159 k = 0.2979 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.9234 -0.9234 -0.9234 -0.9234 0.9585 0.9585 0.9585 0.9585 3.3507 3.3507 3.3510 3.3510 4.1765 4.1765 4.1766 4.1766 4.7577 4.7577 4.7583 4.7583 5.4995 5.4995 5.4997 5.4997 11.2793 11.2793 11.2794 11.2794 11.4340 11.4340 k = 0.3085 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.8848 -0.8848 -0.8848 -0.8848 1.0227 1.0227 1.0227 1.0227 3.2891 3.2891 3.2894 3.2894 4.1863 4.1863 4.1864 4.1864 4.7035 4.7035 4.7042 4.7042 5.3997 5.3997 5.4000 5.4000 11.1880 11.1880 11.1880 11.1880 11.3577 11.3577 k = 0.3191 0.5000 0.2389 ( 6660 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.8459 -0.8459 -0.8459 -0.8459 1.0889 1.0889 1.0889 1.0889 3.2251 3.2251 3.2254 3.2254 4.1909 4.1909 4.1909 4.1909 4.6482 4.6482 4.6487 4.6487 5.3135 5.3135 5.3137 5.3137 11.0973 11.0973 11.0973 11.0973 11.2861 11.2861 k = 0.3298 0.5000 0.2389 ( 6656 PWs) bands (ev): -91.7677 -91.7677 -91.7677 -91.7677 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.8070 -0.8070 -0.8070 -0.8070 1.1570 1.1570 1.1570 1.1570 3.1595 3.1595 3.1598 3.1598 4.1861 4.1861 4.1861 4.1861 4.5941 4.5941 4.5946 4.5946 5.2415 5.2415 5.2417 5.2417 11.0085 11.0085 11.0086 11.0086 11.2185 11.2185 k = 0.3404 0.5000 0.2389 ( 6652 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.7682 -0.7682 -0.7682 -0.7682 1.2269 1.2269 1.2269 1.2269 3.0934 3.0934 3.0937 3.0937 4.1658 4.1658 4.1659 4.1659 4.5469 4.5469 4.5473 4.5473 5.1834 5.1834 5.1836 5.1836 10.9227 10.9227 10.9228 10.9228 11.1546 11.1546 k = 0.3511 0.5000 0.2389 ( 6652 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6652 -91.6652 -91.6652 -91.6652 -0.7297 -0.7297 -0.7297 -0.7297 1.2986 1.2986 1.2986 1.2986 3.0277 3.0277 3.0279 3.0279 4.1245 4.1245 4.1246 4.1246 4.5132 4.5132 4.5134 4.5134 5.1378 5.1378 5.1379 5.1379 10.8404 10.8404 10.8405 10.8405 11.0944 11.0944 k = 0.3617 0.5000 0.2389 ( 6648 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.6918 -0.6918 -0.6917 -0.6917 1.3718 1.3718 1.3718 1.3718 2.9632 2.9632 2.9634 2.9634 4.0607 4.0607 4.0610 4.0610 4.4954 4.4954 4.4955 4.4955 5.1026 5.1026 5.1027 5.1027 10.7622 10.7622 10.7622 10.7622 11.0377 11.0377 k = 0.3723 0.5000 0.2389 ( 6644 PWs) bands (ev): -91.7676 -91.7676 -91.7676 -91.7676 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.6547 -0.6547 -0.6546 -0.6546 1.4465 1.4465 1.4465 1.4465 2.9007 2.9007 2.9010 2.9010 3.9790 3.9790 3.9793 3.9793 4.4908 4.4908 4.4909 4.4909 5.0758 5.0758 5.0758 5.0758 10.6884 10.6884 10.6884 10.6884 10.9846 10.9846 k = 0.3830 0.5000 0.2389 ( 6636 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.6187 -0.6187 -0.6186 -0.6186 1.5222 1.5222 1.5222 1.5222 2.8413 2.8413 2.8415 2.8415 3.8852 3.8852 3.8855 3.8855 4.4948 4.4948 4.4948 4.4948 5.0554 5.0554 5.0554 5.0554 10.6194 10.6194 10.6194 10.6194 10.9353 10.9353 k = 0.3936 0.5000 0.2389 ( 6636 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.5841 -0.5841 -0.5841 -0.5841 1.5988 1.5988 1.5988 1.5988 2.7857 2.7857 2.7859 2.7859 3.7842 3.7842 3.7845 3.7845 4.5037 4.5037 4.5037 4.5037 5.0399 5.0399 5.0399 5.0399 10.5554 10.5554 10.5554 10.5554 10.8898 10.8898 k = 0.4043 0.5000 0.2389 ( 6648 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.5513 -0.5513 -0.5513 -0.5513 1.6756 1.6756 1.6756 1.6756 2.7349 2.7349 2.7352 2.7352 3.6792 3.6792 3.6795 3.6795 4.5151 4.5151 4.5151 4.5151 5.0281 5.0281 5.0281 5.0281 10.4968 10.4968 10.4968 10.4968 10.8483 10.8483 k = 0.4149 0.5000 0.2389 ( 6648 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.5206 -0.5206 -0.5206 -0.5206 1.7519 1.7519 1.7519 1.7519 2.6902 2.6902 2.6904 2.6904 3.5724 3.5724 3.5727 3.5727 4.5275 4.5275 4.5275 4.5275 5.0192 5.0192 5.0192 5.0192 10.4436 10.4436 10.4437 10.4437 10.8108 10.8108 k = 0.4255 0.5000 0.2389 ( 6644 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.4924 -0.4924 -0.4924 -0.4924 1.8267 1.8267 1.8267 1.8267 2.6528 2.6528 2.6531 2.6531 3.4652 3.4652 3.4655 3.4655 4.5399 4.5399 4.5400 4.5400 5.0124 5.0124 5.0124 5.0124 10.3963 10.3963 10.3963 10.3963 10.7775 10.7775 k = 0.4362 0.5000 0.2389 ( 6640 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.4670 -0.4670 -0.4669 -0.4669 1.8984 1.8984 1.8984 1.8984 2.6248 2.6248 2.6250 2.6250 3.3589 3.3589 3.3592 3.3592 4.5517 4.5517 4.5518 4.5518 5.0073 5.0073 5.0073 5.0073 10.3549 10.3549 10.3549 10.3549 10.7484 10.7484 k = 0.4468 0.5000 0.2389 ( 6644 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4447 -0.4447 -0.4447 -0.4447 1.9647 1.9647 1.9647 1.9647 2.6082 2.6082 2.6084 2.6084 3.2545 3.2545 3.2547 3.2547 4.5624 4.5624 4.5624 4.5624 5.0035 5.0035 5.0035 5.0035 10.3195 10.3195 10.3195 10.3195 10.7236 10.7236 k = 0.4574 0.5000 0.2389 ( 6644 PWs) bands (ev): -91.7675 -91.7675 -91.7675 -91.7675 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4260 -0.4260 -0.4260 -0.4260 2.0228 2.0228 2.0228 2.0228 2.6057 2.6057 2.6060 2.6060 3.1530 3.1530 3.1532 3.1532 4.5716 4.5716 4.5716 4.5716 5.0007 5.0007 5.0007 5.0007 10.2904 10.2904 10.2904 10.2904 10.7033 10.7033 k = 0.4681 0.5000 0.2389 ( 6640 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4111 -0.4111 -0.4111 -0.4111 2.0695 2.0695 2.0696 2.0696 2.6198 2.6198 2.6201 2.6201 3.0558 3.0558 3.0560 3.0560 4.5790 4.5790 4.5790 4.5790 4.9987 4.9987 4.9987 4.9987 10.2677 10.2677 10.2677 10.2677 10.6874 10.6874 k = 0.4787 0.5000 0.2389 ( 6636 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4002 -0.4002 -0.4002 -0.4002 2.1028 2.1028 2.1029 2.1029 2.6508 2.6508 2.6510 2.6510 2.9652 2.9652 2.9654 2.9654 4.5844 4.5844 4.5845 4.5845 4.9973 4.9973 4.9973 4.9973 10.2513 10.2513 10.2513 10.2513 10.6760 10.6760 k = 0.4894 0.5000 0.2389 ( 6632 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3936 -0.3936 -0.3936 -0.3936 2.1222 2.1222 2.1222 2.1222 2.6935 2.6935 2.6937 2.6937 2.8872 2.8872 2.8874 2.8874 4.5878 4.5878 4.5878 4.5878 4.9965 4.9965 4.9965 4.9965 10.2415 10.2415 10.2415 10.2415 10.6691 10.6691 k = 0.5000 0.5000 0.2389 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3914 -0.3914 -0.3914 -0.3914 2.1285 2.1285 2.1285 2.1285 2.7217 2.7217 2.7217 2.7217 2.8476 2.8476 2.8476 2.8476 4.5889 4.5889 4.5889 4.5889 4.9963 4.9963 4.9963 4.9963 10.2382 10.2382 10.2382 10.2382 10.6668 10.6668 k = 0.5000 0.5000 0.2389 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3914 -0.3914 -0.3914 -0.3914 2.1285 2.1285 2.1285 2.1285 2.7217 2.7217 2.7217 2.7217 2.8476 2.8476 2.8476 2.8476 4.5889 4.5889 4.5889 4.5889 4.9963 4.9963 4.9963 4.9963 10.2382 10.2382 10.2382 10.2382 10.6668 10.6668 k = 0.4924 0.4924 0.2389 ( 6636 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3940 -0.3940 -0.3933 -0.3933 2.1151 2.1151 2.1296 2.1296 2.6686 2.6686 2.7225 2.7225 2.8647 2.8647 2.9059 2.9059 4.5853 4.5853 4.5902 4.5902 4.9937 4.9937 4.9993 4.9993 10.2391 10.2391 10.2440 10.2440 10.6670 10.6670 k = 0.4848 0.4848 0.2389 ( 6636 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4018 -0.4018 -0.3990 -0.3990 2.0786 2.0786 2.1328 2.1328 2.5846 2.5846 2.7252 2.7252 2.9123 2.9123 3.0055 3.0055 4.5746 4.5746 4.5943 4.5943 4.9862 4.9862 5.0084 5.0084 10.2418 10.2418 10.2612 10.2612 10.6676 10.6676 k = 0.4773 0.4773 0.2389 ( 6636 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.4148 -0.4148 -0.4085 -0.4085 2.0264 2.0264 2.1380 2.1380 2.5010 2.5010 2.7296 2.7296 2.9827 2.9827 3.1151 3.1151 4.5570 4.5570 4.6010 4.6010 4.9738 4.9738 5.0235 5.0235 10.2463 10.2463 10.2897 10.2897 10.6685 10.6685 k = 0.4697 0.4697 0.2389 ( 6640 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6659 -91.6659 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.4330 -0.4330 -0.4219 -0.4219 1.9659 1.9659 2.1454 2.1454 2.4220 2.4220 2.7358 2.7358 3.0687 3.0687 3.2303 3.2303 4.5330 4.5330 4.6104 4.6104 4.9567 4.9567 5.0446 5.0446 10.2526 10.2526 10.3293 10.3293 10.6699 10.6699 k = 0.4621 0.4621 0.2389 ( 6640 PWs) bands (ev): -91.7675 -91.7675 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6659 -91.6659 -91.6658 -91.6658 -91.6653 -91.6653 -91.6652 -91.6652 -0.4562 -0.4562 -0.4393 -0.4393 1.9021 1.9021 2.1549 2.1549 2.3486 2.3486 2.7438 2.7438 3.1651 3.1651 3.3501 3.3501 4.5031 4.5031 4.6225 4.6225 4.9352 4.9352 5.0718 5.0718 10.2608 10.2608 10.3796 10.3796 10.6716 10.6716 k = 0.4545 0.4545 0.2389 ( 6644 PWs) bands (ev): -91.7676 -91.7676 -91.7674 -91.7674 -91.7190 -91.7190 -91.7189 -91.7189 -91.6659 -91.6659 -91.6658 -91.6658 -91.6653 -91.6653 -91.6651 -91.6651 -0.4845 -0.4845 -0.4609 -0.4609 1.8384 1.8384 2.1665 2.1665 2.2812 2.2812 2.7535 2.7535 3.2681 3.2681 3.4737 3.4737 4.4677 4.4677 4.6374 4.6374 4.9096 4.9096 5.1052 5.1052 10.2708 10.2708 10.4403 10.4403 10.6736 10.6736 k = 0.4470 0.4470 0.2389 ( 6644 PWs) bands (ev): -91.7676 -91.7676 -91.7674 -91.7674 -91.7191 -91.7191 -91.7189 -91.7189 -91.6659 -91.6659 -91.6658 -91.6658 -91.6653 -91.6653 -91.6651 -91.6651 -0.5177 -0.5177 -0.4866 -0.4866 1.7770 1.7770 2.1802 2.1802 2.2201 2.2201 2.7649 2.7649 3.3754 3.3754 3.6005 3.6005 4.4273 4.4273 4.6549 4.6549 4.8804 4.8804 5.1451 5.1451 10.2826 10.2826 10.5109 10.5109 10.6760 10.6760 k = 0.4394 0.4394 0.2389 ( 6648 PWs) bands (ev): -91.7677 -91.7677 -91.7673 -91.7673 -91.7191 -91.7191 -91.7188 -91.7188 -91.6659 -91.6659 -91.6657 -91.6657 -91.6653 -91.6653 -91.6651 -91.6651 -0.5556 -0.5556 -0.5165 -0.5165 1.7192 1.7192 2.1655 2.1655 2.1960 2.1960 2.7781 2.7781 3.4853 3.4853 3.7298 3.7298 4.3824 4.3824 4.6751 4.6751 4.8483 4.8483 5.1919 5.1919 10.2963 10.2963 10.5909 10.5909 10.6788 10.6788 k = 0.4318 0.4318 0.2389 ( 6644 PWs) bands (ev): -91.7677 -91.7677 -91.7673 -91.7673 -91.7191 -91.7191 -91.7188 -91.7188 -91.6659 -91.6659 -91.6657 -91.6657 -91.6654 -91.6654 -91.6650 -91.6650 -0.5981 -0.5981 -0.5507 -0.5507 1.6660 1.6660 2.1172 2.1172 2.2138 2.2138 2.7931 2.7931 3.5963 3.5963 3.8608 3.8608 4.3337 4.3337 4.6979 4.6979 4.8142 4.8142 5.2459 5.2459 10.3118 10.3118 10.6799 10.6799 10.6819 10.6819 k = 0.4242 0.4242 0.2389 ( 6652 PWs) bands (ev): -91.7678 -91.7678 -91.7673 -91.7673 -91.7192 -91.7192 -91.7188 -91.7188 -91.6659 -91.6659 -91.6657 -91.6657 -91.6654 -91.6654 -91.6650 -91.6650 -0.6449 -0.6449 -0.5892 -0.5892 1.6180 1.6180 2.0754 2.0754 2.2338 2.2338 2.8097 2.8097 3.7072 3.7072 3.9923 3.9923 4.2815 4.2815 4.7235 4.7235 4.7793 4.7793 5.3076 5.3076 10.3290 10.3290 10.6853 10.6853 10.7773 10.7773 k = 0.4167 0.4167 0.2389 ( 6658 PWs) bands (ev): -91.7679 -91.7679 -91.7673 -91.7673 -91.7192 -91.7192 -91.7187 -91.7187 -91.6659 -91.6659 -91.6656 -91.6656 -91.6654 -91.6654 -91.6650 -91.6650 -0.6957 -0.6957 -0.6318 -0.6318 1.5754 1.5754 2.0397 2.0397 2.2557 2.2557 2.8281 2.8281 3.8172 3.8172 4.1217 4.1217 4.2264 4.2264 4.7465 4.7465 4.7518 4.7518 5.3776 5.3776 10.3481 10.3481 10.6890 10.6890 10.8825 10.8825 k = 0.4091 0.4091 0.2389 ( 6650 PWs) bands (ev): -91.7679 -91.7679 -91.7672 -91.7672 -91.7193 -91.7193 -91.7187 -91.7187 -91.6660 -91.6660 -91.6656 -91.6656 -91.6655 -91.6655 -91.6649 -91.6649 -0.7503 -0.7503 -0.6783 -0.6783 1.5384 1.5384 2.0101 2.0101 2.2797 2.2797 2.8482 2.8482 3.9254 3.9254 4.1690 4.1690 4.2435 4.2435 4.7212 4.7212 4.7828 4.7828 5.4561 5.4561 10.3689 10.3689 10.6930 10.6930 10.9951 10.9951 k = 0.4015 0.4015 0.2389 ( 6648 PWs) bands (ev): -91.7680 -91.7680 -91.7672 -91.7672 -91.7193 -91.7193 -91.7186 -91.7186 -91.6660 -91.6660 -91.6655 -91.6655 -91.6655 -91.6655 -91.6649 -91.6649 -0.8082 -0.8082 -0.7287 -0.7287 1.5071 1.5071 1.9863 1.9863 2.3058 2.3058 2.8700 2.8700 4.0311 4.0311 4.1098 4.1098 4.3445 4.3445 4.7170 4.7170 4.8164 4.8164 5.5436 5.5436 10.3915 10.3915 10.6973 10.6973 11.1145 11.1145 k = 0.3939 0.3939 0.2389 ( 6648 PWs) bands (ev): -91.7681 -91.7681 -91.7671 -91.7671 -91.7194 -91.7194 -91.7186 -91.7186 -91.6660 -91.6660 -91.6656 -91.6656 -91.6655 -91.6655 -91.6648 -91.6648 -0.8692 -0.8692 -0.7826 -0.7826 1.4812 1.4812 1.9680 1.9680 2.3338 2.3338 2.8934 2.8934 4.0492 4.0492 4.1340 4.1340 4.4010 4.4010 4.7575 4.7575 4.8528 4.8528 5.6402 5.6402 10.4157 10.4157 10.7018 10.7018 11.2402 11.2402 k = 0.3864 0.3864 0.2389 ( 6650 PWs) bands (ev): -91.7682 -91.7682 -91.7671 -91.7671 -91.7194 -91.7194 -91.7185 -91.7185 -91.6660 -91.6660 -91.6656 -91.6656 -91.6654 -91.6654 -91.6648 -91.6648 -0.9328 -0.9328 -0.8396 -0.8396 1.4606 1.4606 1.9548 1.9548 2.3638 2.3638 2.9185 2.9185 3.9878 3.9878 4.2336 4.2336 4.4059 4.4059 4.8501 4.8501 4.8918 4.8918 5.7461 5.7461 10.4414 10.4414 10.7066 10.7066 11.3717 11.3717 k = 0.3788 0.3788 0.2389 ( 6652 PWs) bands (ev): -91.7683 -91.7683 -91.7670 -91.7670 -91.7195 -91.7195 -91.7185 -91.7185 -91.6660 -91.6660 -91.6657 -91.6657 -91.6654 -91.6654 -91.6647 -91.6647 -0.9987 -0.9987 -0.8995 -0.8995 1.4449 1.4449 1.9465 1.9465 2.3958 2.3958 2.9453 2.9453 3.9261 3.9261 4.3300 4.3300 4.3801 4.3801 4.9335 4.9335 4.9740 4.9740 5.8611 5.8611 10.4687 10.4687 10.7116 10.7116 11.5085 11.5085 k = 0.3712 0.3712 0.2389 ( 6652 PWs) bands (ev): -91.7684 -91.7684 -91.7670 -91.7670 -91.7195 -91.7195 -91.7184 -91.7184 -91.6660 -91.6660 -91.6657 -91.6657 -91.6653 -91.6653 -91.6646 -91.6646 -1.0665 -1.0665 -0.9618 -0.9618 1.4336 1.4336 1.9427 1.9427 2.4297 2.4297 2.9736 2.9736 3.8645 3.8645 4.3406 4.3406 4.4231 4.4231 4.9779 4.9779 5.1124 5.1124 5.9851 5.9851 10.4974 10.4974 10.7169 10.7169 11.6501 11.6501 k = 0.3636 0.3636 0.2389 ( 6664 PWs) bands (ev): -91.7685 -91.7685 -91.7670 -91.7670 -91.7196 -91.7196 -91.7184 -91.7184 -91.6660 -91.6660 -91.6658 -91.6658 -91.6652 -91.6652 -91.6646 -91.6646 -1.1359 -1.1359 -1.0263 -1.0263 1.4264 1.4264 1.9430 1.9430 2.4656 2.4656 3.0036 3.0036 3.8036 3.8036 4.2947 4.2947 4.5134 4.5134 5.0251 5.0251 5.2580 5.2580 6.1174 6.1174 10.5273 10.5273 10.7223 10.7223 11.7961 11.7961 k = 0.3561 0.3561 0.2389 ( 6672 PWs) bands (ev): -91.7686 -91.7686 -91.7669 -91.7669 -91.7197 -91.7197 -91.7183 -91.7183 -91.6661 -91.6661 -91.6658 -91.6658 -91.6652 -91.6652 -91.6645 -91.6645 -1.2065 -1.2065 -1.0925 -1.0925 1.4228 1.4228 1.9471 1.9471 2.5034 2.5034 3.0351 3.0351 3.7438 3.7438 4.2458 4.2458 4.6010 4.6010 5.0749 5.0749 5.4075 5.4075 6.2578 6.2578 10.5584 10.5584 10.7279 10.7279 11.9085 11.9085 k = 0.3485 0.3485 0.2389 ( 6672 PWs) bands (ev): -91.7688 -91.7688 -91.7668 -91.7668 -91.7197 -91.7197 -91.7182 -91.7182 -91.6661 -91.6661 -91.6659 -91.6659 -91.6651 -91.6651 -91.6644 -91.6644 -1.2781 -1.2781 -1.1601 -1.1601 1.4222 1.4222 1.9546 1.9546 2.5430 2.5430 3.0682 3.0682 3.6855 3.6855 4.1956 4.1956 4.6864 4.6864 5.1273 5.1273 5.5596 5.5596 6.4056 6.4056 10.5903 10.5903 10.7337 10.7337 12.0027 12.0027 k = 0.3409 0.3409 0.2389 ( 6664 PWs) bands (ev): -91.7689 -91.7689 -91.7668 -91.7668 -91.7198 -91.7198 -91.7182 -91.7182 -91.6661 -91.6661 -91.6660 -91.6660 -91.6650 -91.6650 -91.6644 -91.6644 -1.3504 -1.3504 -1.2287 -1.2287 1.4242 1.4242 1.9651 1.9651 2.5844 2.5844 3.1028 3.1028 3.6294 3.6294 4.1450 4.1450 4.7702 4.7702 5.1825 5.1825 5.7131 5.7131 6.5603 6.5603 10.6229 10.6229 10.7396 10.7396 12.0933 12.0933 k = 0.3333 0.3333 0.2389 ( 6662 PWs) bands (ev): -91.7690 -91.7690 -91.7667 -91.7667 -91.7199 -91.7199 -91.7181 -91.7181 -91.6661 -91.6661 -91.6660 -91.6660 -91.6649 -91.6649 -91.6643 -91.6643 -1.4230 -1.4230 -1.2980 -1.2980 1.4281 1.4281 1.9782 1.9782 2.6277 2.6277 3.1389 3.1389 3.5759 3.5759 4.0948 4.0948 4.8527 4.8527 5.2404 5.2404 5.8676 5.8676 6.7212 6.7212 10.6559 10.6559 10.7456 10.7456 12.1790 12.1790 k = 0.3258 0.3258 0.2389 ( 6658 PWs) bands (ev): -91.7691 -91.7691 -91.7667 -91.7667 -91.7200 -91.7200 -91.7180 -91.7180 -91.6661 -91.6661 -91.6661 -91.6661 -91.6649 -91.6649 -91.6642 -91.6642 -1.4957 -1.4957 -1.3677 -1.3677 1.4335 1.4335 1.9936 1.9936 2.6727 2.6727 3.1765 3.1765 3.5254 3.5254 4.0456 4.0456 4.9344 4.9344 5.3009 5.3009 6.0226 6.0226 6.8878 6.8878 10.6888 10.6888 10.7517 10.7517 12.2588 12.2588 k = 0.3182 0.3182 0.2389 ( 6662 PWs) bands (ev): -91.7693 -91.7693 -91.7666 -91.7666 -91.7200 -91.7200 -91.7179 -91.7179 -91.6662 -91.6662 -91.6662 -91.6662 -91.6648 -91.6648 -91.6641 -91.6641 -1.5684 -1.5684 -1.4377 -1.4377 1.4397 1.4397 2.0108 2.0108 2.7195 2.7195 3.2155 3.2155 3.4786 3.4786 3.9977 3.9977 5.0156 5.0156 5.3641 5.3641 6.1776 6.1776 7.0597 7.0597 10.7212 10.7212 10.7578 10.7578 12.3320 12.3320 k = 0.3106 0.3106 0.2389 ( 6654 PWs) bands (ev): -91.7694 -91.7694 -91.7665 -91.7665 -91.7201 -91.7201 -91.7179 -91.7179 -91.6662 -91.6662 -91.6662 -91.6662 -91.6647 -91.6647 -91.6641 -91.6641 -1.6408 -1.6408 -1.5075 -1.5075 1.4462 1.4462 2.0294 2.0294 2.7680 2.7680 3.2558 3.2558 3.4359 3.4359 3.9519 3.9519 5.0967 5.0967 5.4301 5.4301 6.3323 6.3323 7.2362 7.2362 10.7527 10.7527 10.7641 10.7641 12.3981 12.3981 k = 0.3030 0.3030 0.2389 ( 6666 PWs) bands (ev): -91.7696 -91.7696 -91.7665 -91.7665 -91.7202 -91.7202 -91.7178 -91.7178 -91.6663 -91.6663 -91.6662 -91.6662 -91.6646 -91.6646 -91.6640 -91.6640 -1.7128 -1.7128 -1.5771 -1.5771 1.4524 1.4524 2.0491 2.0491 2.8181 2.8181 3.2976 3.2976 3.3979 3.3979 3.9083 3.9083 5.1781 5.1781 5.4986 5.4986 6.4863 6.4863 7.4169 7.4169 10.7703 10.7703 10.7826 10.7826 12.4573 12.4573 k = 0.2955 0.2955 0.2389 ( 6650 PWs) bands (ev): -91.7697 -91.7697 -91.7664 -91.7664 -91.7203 -91.7203 -91.7177 -91.7177 -91.6664 -91.6664 -91.6662 -91.6662 -91.6645 -91.6645 -91.6639 -91.6639 -1.7841 -1.7841 -1.6462 -1.6462 1.4578 1.4578 2.0693 2.0693 2.8698 2.8698 3.3406 3.3406 3.3650 3.3650 3.8676 3.8676 5.2599 5.2599 5.5699 5.5699 6.6394 6.6394 7.6015 7.6015 10.7766 10.7766 10.8102 10.8102 12.5105 12.5105 k = 0.2879 0.2879 0.2389 ( 6650 PWs) bands (ev): -91.7698 -91.7698 -91.7664 -91.7664 -91.7204 -91.7204 -91.7176 -91.7176 -91.6664 -91.6664 -91.6663 -91.6663 -91.6645 -91.6645 -91.6638 -91.6638 -1.8546 -1.8546 -1.7147 -1.7147 1.4618 1.4618 2.0897 2.0897 2.9231 2.9231 3.3377 3.3377 3.3849 3.3849 3.8303 3.8303 5.3423 5.3423 5.6438 5.6438 6.7912 6.7912 7.7896 7.7896 10.7829 10.7829 10.8348 10.8348 12.5588 12.5588 k = 0.2803 0.2803 0.2389 ( 6646 PWs) bands (ev): -91.7700 -91.7700 -91.7663 -91.7663 -91.7205 -91.7205 -91.7175 -91.7175 -91.6665 -91.6665 -91.6663 -91.6663 -91.6644 -91.6644 -91.6637 -91.6637 -1.9242 -1.9242 -1.7823 -1.7823 1.4639 1.4639 2.1096 2.1096 2.9779 2.9779 3.3165 3.3165 3.4304 3.4304 3.7966 3.7966 5.4256 5.4256 5.7205 5.7205 6.9415 6.9415 7.9807 7.9807 10.7892 10.7892 10.8557 10.8557 12.6042 12.6042 k = 0.2727 0.2727 0.2389 ( 6638 PWs) bands (ev): -91.7701 -91.7701 -91.7662 -91.7662 -91.7205 -91.7205 -91.7174 -91.7174 -91.6666 -91.6666 -91.6663 -91.6663 -91.6643 -91.6643 -91.6636 -91.6636 -1.9927 -1.9927 -1.8490 -1.8490 1.4636 1.4636 2.1287 2.1287 3.0341 3.0341 3.3018 3.3018 3.4771 3.4771 3.7672 3.7672 5.5099 5.5099 5.7997 5.7997 7.0898 7.0898 8.1746 8.1746 10.7955 10.7955 10.8720 10.8720 12.6486 12.6486 k = 0.2652 0.2652 0.2389 ( 6652 PWs) bands (ev): -91.7703 -91.7703 -91.7662 -91.7662 -91.7206 -91.7206 -91.7174 -91.7174 -91.6667 -91.6667 -91.6663 -91.6663 -91.6642 -91.6642 -91.6635 -91.6635 -2.0601 -2.0601 -1.9147 -1.9147 1.4608 1.4608 2.1465 2.1465 3.0917 3.0917 3.2938 3.2938 3.5248 3.5248 3.7425 3.7425 5.5954 5.5954 5.8817 5.8817 7.2359 7.2359 8.3708 8.3708 10.8017 10.8017 10.8830 10.8830 12.6939 12.6939 k = 0.2576 0.2576 0.2389 ( 6652 PWs) bands (ev): -91.7704 -91.7704 -91.7661 -91.7661 -91.7207 -91.7207 -91.7173 -91.7173 -91.6667 -91.6667 -91.6664 -91.6664 -91.6641 -91.6641 -91.6635 -91.6635 -2.1263 -2.1263 -1.9792 -1.9792 1.4551 1.4551 2.1624 2.1624 3.1506 3.1506 3.2928 3.2928 3.5737 3.5737 3.7230 3.7230 5.6820 5.6820 5.9663 5.9663 7.3795 7.3795 8.5690 8.5690 10.8080 10.8080 10.8882 10.8882 12.7420 12.7420 k = 0.2500 0.2500 0.2389 ( 6660 PWs) bands (ev): -91.7706 -91.7706 -91.7660 -91.7660 -91.7208 -91.7208 -91.7172 -91.7172 -91.6668 -91.6668 -91.6664 -91.6664 -91.6640 -91.6640 -91.6634 -91.6634 -2.1911 -2.1911 -2.0424 -2.0424 1.4463 1.4463 2.1760 2.1760 3.2108 3.2108 3.2988 3.2988 3.6234 3.6234 3.7090 3.7090 5.7699 5.7699 6.0536 6.0536 7.5204 7.5204 8.7688 8.7688 10.8141 10.8141 10.8872 10.8872 12.7943 12.7943 k = 0.2424 0.2424 0.2389 ( 6660 PWs) bands (ev): -91.7707 -91.7707 -91.7660 -91.7660 -91.7209 -91.7209 -91.7171 -91.7171 -91.6669 -91.6669 -91.6664 -91.6664 -91.6639 -91.6639 -91.6633 -91.6633 -2.2545 -2.2545 -2.1042 -2.1042 1.4345 1.4345 2.1869 2.1869 3.2721 3.2721 3.3117 3.3117 3.6741 3.6741 3.7009 3.7009 5.8591 5.8591 6.1435 6.1435 7.6582 7.6582 8.9697 8.9697 10.8202 10.8202 10.8796 10.8796 12.8519 12.8519 k = 0.2348 0.2348 0.2389 ( 6664 PWs) bands (ev): -91.7709 -91.7709 -91.7659 -91.7659 -91.7210 -91.7210 -91.7170 -91.7170 -91.6670 -91.6670 -91.6664 -91.6664 -91.6638 -91.6638 -91.6632 -91.6632 -2.3165 -2.3165 -2.1646 -2.1646 1.4198 1.4198 2.1949 2.1949 3.3315 3.3315 3.3345 3.3345 3.6989 3.6989 3.7256 3.7256 5.9497 5.9497 6.2361 6.2361 7.7927 7.7927 9.1714 9.1714 10.8262 10.8262 10.8654 10.8654 12.9151 12.9151 k = 0.2273 0.2273 0.2389 ( 6660 PWs) bands (ev): -91.7710 -91.7710 -91.7658 -91.7658 -91.7211 -91.7211 -91.7169 -91.7169 -91.6671 -91.6671 -91.6664 -91.6664 -91.6638 -91.6638 -91.6631 -91.6631 -2.3769 -2.3769 -2.2235 -2.2235 1.4022 1.4022 2.1996 2.1996 3.3579 3.3579 3.3979 3.3979 3.7033 3.7033 3.7779 3.7779 6.0416 6.0416 6.3313 6.3313 7.9237 7.9237 9.3732 9.3732 10.8322 10.8322 10.8448 10.8448 12.9838 12.9838 k = 0.2197 0.2197 0.2389 ( 6670 PWs) bands (ev): -91.7712 -91.7712 -91.7658 -91.7658 -91.7211 -91.7211 -91.7169 -91.7169 -91.6671 -91.6671 -91.6665 -91.6665 -91.6637 -91.6637 -91.6630 -91.6630 -2.4357 -2.4357 -2.2809 -2.2809 1.3821 1.3821 2.2011 2.2011 3.3906 3.3906 3.4622 3.4622 3.7139 3.7139 3.8308 3.8308 6.1349 6.1349 6.4291 6.4291 8.0509 8.0509 9.5744 9.5744 10.8182 10.8182 10.8382 10.8382 13.0569 13.0569 k = 0.2121 0.2121 0.2389 ( 6666 PWs) bands (ev): -91.7713 -91.7713 -91.7657 -91.7657 -91.7212 -91.7212 -91.7168 -91.7168 -91.6672 -91.6672 -91.6665 -91.6665 -91.6636 -91.6636 -91.6629 -91.6629 -2.4928 -2.4928 -2.3366 -2.3366 1.3598 1.3598 2.1993 2.1993 3.4291 3.4291 3.5273 3.5273 3.7308 3.7308 3.8843 3.8843 6.2296 6.2296 6.5296 6.5296 8.1742 8.1742 9.7743 9.7743 10.7860 10.7860 10.8441 10.8441 13.1324 13.1324 k = 0.2045 0.2045 0.2389 ( 6670 PWs) bands (ev): -91.7715 -91.7715 -91.7656 -91.7656 -91.7213 -91.7213 -91.7167 -91.7167 -91.6673 -91.6673 -91.6665 -91.6665 -91.6635 -91.6635 -91.6629 -91.6629 -2.5482 -2.5482 -2.3907 -2.3907 1.3356 1.3356 2.1944 2.1944 3.4730 3.4730 3.5931 3.5931 3.7538 3.7538 3.9382 3.9382 6.3256 6.3256 6.6327 6.6327 8.2934 8.2934 9.9717 9.9717 10.7487 10.7487 10.8500 10.8500 13.2070 13.2070 k = 0.1970 0.1970 0.2389 ( 6670 PWs) bands (ev): -91.7716 -91.7716 -91.7656 -91.7656 -91.7214 -91.7214 -91.7166 -91.7166 -91.6674 -91.6674 -91.6665 -91.6665 -91.6634 -91.6634 -91.6628 -91.6628 -2.6019 -2.6019 -2.4430 -2.4430 1.3098 1.3098 2.1866 2.1866 3.5220 3.5220 3.6594 3.6594 3.7824 3.7824 3.9925 3.9925 6.4228 6.4228 6.7384 6.7384 8.4083 8.4083 10.1655 10.1655 10.7068 10.7068 10.8558 10.8558 13.2754 13.2754 k = 0.1894 0.1894 0.2389 ( 6660 PWs) bands (ev): -91.7717 -91.7717 -91.7655 -91.7655 -91.7215 -91.7215 -91.7165 -91.7165 -91.6674 -91.6674 -91.6666 -91.6666 -91.6633 -91.6633 -91.6627 -91.6627 -2.6537 -2.6537 -2.4936 -2.4936 1.2828 1.2828 2.1762 2.1762 3.5756 3.5756 3.7261 3.7261 3.8162 3.8162 4.0471 4.0471 6.5213 6.5213 6.8467 6.8467 8.5189 8.5189 10.3538 10.3538 10.6610 10.6610 10.8617 10.8617 13.1699 13.1699 k = 0.1818 0.1818 0.2389 ( 6676 PWs) bands (ev): -91.7719 -91.7719 -91.7654 -91.7654 -91.7216 -91.7216 -91.7164 -91.7164 -91.6675 -91.6675 -91.6666 -91.6666 -91.6632 -91.6632 -91.6626 -91.6626 -2.7038 -2.7038 -2.5425 -2.5425 1.2549 1.2549 2.1635 2.1635 3.6332 3.6332 3.7931 3.7931 3.8549 3.8549 4.1017 4.1017 6.6208 6.6208 6.9576 6.9576 8.6249 8.6249 10.5345 10.5345 10.6117 10.6117 10.8676 10.8676 13.0346 13.0346 k = 0.1742 0.1742 0.2389 ( 6670 PWs) bands (ev): -91.7720 -91.7720 -91.7654 -91.7654 -91.7216 -91.7216 -91.7164 -91.7164 -91.6676 -91.6676 -91.6666 -91.6666 -91.6632 -91.6632 -91.6625 -91.6625 -2.7520 -2.7520 -2.5895 -2.5895 1.2264 1.2264 2.1489 2.1489 3.6945 3.6945 3.8603 3.8603 3.8979 3.8979 4.1563 4.1563 6.7215 6.7215 7.0710 7.0710 8.7262 8.7262 10.5596 10.5596 10.7046 10.7046 10.8735 10.8735 12.8958 12.8958 k = 0.1667 0.1667 0.2389 ( 6666 PWs) bands (ev): -91.7721 -91.7721 -91.7653 -91.7653 -91.7217 -91.7217 -91.7163 -91.7163 -91.6676 -91.6676 -91.6666 -91.6666 -91.6631 -91.6631 -91.6624 -91.6624 -2.7983 -2.7983 -2.6346 -2.6346 1.1976 1.1976 2.1327 2.1327 3.7589 3.7589 3.9274 3.9274 3.9447 3.9447 4.2108 4.2108 6.8230 6.8230 7.1870 7.1870 8.8229 8.8229 10.5052 10.5052 10.8603 10.8603 10.8795 10.8795 12.7562 12.7562 k = 0.1591 0.1591 0.2389 ( 6666 PWs) bands (ev): -91.7723 -91.7723 -91.7653 -91.7653 -91.7218 -91.7218 -91.7162 -91.7162 -91.6677 -91.6677 -91.6667 -91.6667 -91.6630 -91.6630 -91.6624 -91.6624 -2.8427 -2.8427 -2.6779 -2.6779 1.1688 1.1688 2.1154 2.1154 3.8261 3.8261 3.9943 3.9943 3.9949 3.9949 4.2649 4.2649 6.9254 6.9254 7.3056 7.3056 8.9147 8.9147 10.4491 10.4491 10.8856 10.8856 10.9968 10.9968 12.6189 12.6190 k = 0.1515 0.1515 0.2389 ( 6658 PWs) bands (ev): -91.7724 -91.7724 -91.7652 -91.7652 -91.7219 -91.7219 -91.7161 -91.7161 -91.6678 -91.6678 -91.6667 -91.6667 -91.6629 -91.6629 -91.6623 -91.6623 -2.8852 -2.8852 -2.7193 -2.7193 1.1402 1.1402 2.0973 2.0973 3.8956 3.8956 4.0477 4.0477 4.0608 4.0608 4.3186 4.3186 7.0284 7.0284 7.4267 7.4267 9.0014 9.0014 10.3917 10.3917 10.8919 10.8919 11.1083 11.1083 12.4869 12.4869 k = 0.1439 0.1439 0.2389 ( 6660 PWs) bands (ev): -91.7725 -91.7725 -91.7652 -91.7652 -91.7219 -91.7219 -91.7161 -91.7161 -91.6678 -91.6678 -91.6667 -91.6667 -91.6629 -91.6629 -91.6622 -91.6622 -2.9257 -2.9257 -2.7588 -2.7588 1.1120 1.1120 2.0786 2.0786 3.9670 3.9670 4.1028 4.1028 4.1267 4.1267 4.3716 4.3716 7.1319 7.1319 7.5503 7.5503 9.0830 9.0830 10.3338 10.3338 10.8984 10.8984 11.1889 11.1889 12.3631 12.3632 k = 0.1364 0.1364 0.2389 ( 6644 PWs) bands (ev): -91.7726 -91.7726 -91.7651 -91.7651 -91.7220 -91.7220 -91.7160 -91.7160 -91.6679 -91.6679 -91.6667 -91.6667 -91.6628 -91.6628 -91.6622 -91.6622 -2.9642 -2.9642 -2.7964 -2.7964 1.0844 1.0844 2.0596 2.0596 4.0397 4.0397 4.1596 4.1596 4.1918 4.1918 4.4238 4.4238 7.2356 7.2356 7.6763 7.6763 9.1590 9.1590 10.2760 10.2760 10.9051 10.9051 11.2336 11.2336 12.2472 12.2473 k = 0.1288 0.1288 0.2389 ( 6640 PWs) bands (ev): -91.7727 -91.7727 -91.7650 -91.7650 -91.7221 -91.7221 -91.7159 -91.7159 -91.6679 -91.6679 -91.6667 -91.6667 -91.6627 -91.6627 -91.6621 -91.6621 -3.0008 -3.0008 -2.8320 -2.8320 1.0576 1.0576 2.0406 2.0406 4.1135 4.1135 4.2177 4.2177 4.2559 4.2559 4.4750 4.4750 7.3394 7.3394 7.8048 7.8048 9.2291 9.2291 10.2192 10.2192 10.9122 10.9122 11.2406 11.2406 12.1252 12.1252 k = 0.1212 0.1212 0.2389 ( 6630 PWs) bands (ev): -91.7728 -91.7728 -91.7650 -91.7650 -91.7221 -91.7221 -91.7159 -91.7159 -91.6680 -91.6680 -91.6668 -91.6668 -91.6627 -91.6627 -91.6620 -91.6620 -3.0353 -3.0353 -2.8656 -2.8656 1.0317 1.0317 2.0219 2.0219 4.1877 4.1877 4.2765 4.2765 4.3186 4.3186 4.5250 4.5250 7.4430 7.4430 7.9357 7.9357 9.2926 9.2926 10.1644 10.1644 10.9198 10.9198 11.2123 11.2123 12.0076 12.0076 k = 0.1136 0.1136 0.2389 ( 6642 PWs) bands (ev): -91.7729 -91.7729 -91.7650 -91.7650 -91.7222 -91.7222 -91.7158 -91.7158 -91.6680 -91.6680 -91.6668 -91.6668 -91.6626 -91.6626 -91.6620 -91.6620 -3.0678 -3.0678 -2.8973 -2.8973 1.0069 1.0069 2.0035 2.0035 4.2620 4.2620 4.3356 4.3356 4.3798 4.3798 4.5735 4.5735 7.5460 7.5460 8.0690 8.0690 9.3487 9.3487 10.1129 10.1129 10.9277 10.9277 11.1553 11.1553 11.8946 11.8946 k = 0.1061 0.1061 0.2389 ( 6630 PWs) bands (ev): -91.7730 -91.7730 -91.7649 -91.7649 -91.7222 -91.7222 -91.7158 -91.7158 -91.6681 -91.6681 -91.6668 -91.6668 -91.6625 -91.6625 -91.6619 -91.6619 -3.0982 -3.0982 -2.9269 -2.9269 0.9832 0.9832 1.9857 1.9857 4.3358 4.3358 4.3944 4.3944 4.4391 4.4391 4.6204 4.6204 7.6480 7.6480 8.2046 8.2046 9.3961 9.3961 10.0666 10.0666 10.9363 10.9363 11.0779 11.0779 11.7864 11.7864 k = 0.0985 0.0985 0.2389 ( 6630 PWs) bands (ev): -91.7731 -91.7731 -91.7649 -91.7649 -91.7223 -91.7223 -91.7157 -91.7157 -91.6681 -91.6681 -91.6668 -91.6668 -91.6625 -91.6625 -91.6619 -91.6619 -3.1266 -3.1266 -2.9546 -2.9546 0.9608 0.9608 1.9686 1.9686 4.4086 4.4086 4.4525 4.4525 4.4963 4.4963 4.6655 4.6655 7.7487 7.7487 8.3424 8.3424 9.4332 9.4332 10.0273 10.0273 10.9456 10.9456 10.9878 10.9878 11.6833 11.6833 k = 0.0909 0.0909 0.2389 ( 6634 PWs) bands (ev): -91.7732 -91.7732 -91.7648 -91.7648 -91.7223 -91.7223 -91.7157 -91.7157 -91.6682 -91.6682 -91.6668 -91.6668 -91.6624 -91.6624 -91.6618 -91.6618 -3.1530 -3.1530 -2.9802 -2.9802 0.9397 0.9397 1.9524 1.9524 4.4798 4.4798 4.5093 4.5093 4.5510 4.5510 4.7085 4.7085 7.8475 7.8475 8.4824 8.4824 9.4581 9.4581 9.9975 9.9975 10.8913 10.8913 10.9556 10.9556 11.5855 11.5855 k = 0.0833 0.0833 0.2389 ( 6634 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6682 -91.6682 -91.6668 -91.6668 -91.6624 -91.6624 -91.6618 -91.6618 -3.1773 -3.1773 -3.0038 -3.0038 0.9201 0.9201 1.9371 1.9371 4.5488 4.5488 4.5644 4.5644 4.6030 4.6030 4.7491 4.7491 7.9439 7.9439 8.6245 8.6245 9.4696 9.4696 9.9790 9.9790 10.7928 10.7928 10.9665 10.9665 11.4932 11.4932 k = 0.0758 0.0758 0.2389 ( 6634 PWs) bands (ev): -91.7733 -91.7733 -91.7648 -91.7648 -91.7224 -91.7224 -91.7156 -91.7156 -91.6683 -91.6683 -91.6668 -91.6668 -91.6624 -91.6624 -91.6617 -91.6617 -3.1994 -3.1994 -3.0254 -3.0254 0.9020 0.9020 1.9228 1.9228 4.6151 4.6151 4.6171 4.6171 4.6519 4.6519 4.7872 4.7872 8.0372 8.0372 8.7686 8.7686 9.4678 9.4678 9.9720 9.9720 10.6957 10.6957 10.9785 10.9785 11.4066 11.4066 k = 0.0682 0.0682 0.2389 ( 6644 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7225 -91.7225 -91.7156 -91.7156 -91.6683 -91.6683 -91.6669 -91.6669 -91.6623 -91.6623 -91.6617 -91.6617 -3.2195 -3.2195 -3.0450 -3.0450 0.8855 0.8855 1.9097 1.9097 4.6670 4.6670 4.6779 4.6779 4.6974 4.6974 4.8225 4.8225 8.1266 8.1266 8.9144 8.9144 9.4550 9.4550 9.9750 9.9750 10.6025 10.6025 10.9916 10.9916 11.3256 11.3256 k = 0.0606 0.0606 0.2389 ( 6638 PWs) bands (ev): -91.7734 -91.7734 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6683 -91.6683 -91.6669 -91.6669 -91.6623 -91.6623 -91.6617 -91.6617 -3.2375 -3.2375 -3.0625 -3.0625 0.8706 0.8706 1.8979 1.8979 4.7135 4.7135 4.7367 4.7367 4.7393 4.7393 4.8548 4.8548 8.2112 8.2112 9.0618 9.0618 9.4342 9.4342 9.9852 9.9852 10.5152 10.5152 11.0060 11.0060 11.2499 11.2499 k = 0.0530 0.0530 0.2389 ( 6642 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7225 -91.7225 -91.7155 -91.7155 -91.6683 -91.6683 -91.6669 -91.6669 -91.6623 -91.6623 -91.6616 -91.6616 -3.2534 -3.2534 -3.0780 -3.0780 0.8573 0.8573 1.8872 1.8872 4.7561 4.7561 4.7770 4.7770 4.7907 4.7907 4.8839 4.8839 8.2900 8.2900 9.2103 9.2103 9.4092 9.4092 9.9995 9.9995 10.4351 10.4351 11.0217 11.0217 11.1787 11.1787 k = 0.0455 0.0455 0.2389 ( 6646 PWs) bands (ev): -91.7735 -91.7735 -91.7647 -91.7647 -91.7226 -91.7226 -91.7155 -91.7155 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2672 -3.2672 -3.0914 -3.0914 0.8457 0.8457 1.8779 1.8779 4.7943 4.7943 4.8105 4.8105 4.8392 4.8392 4.9096 4.9096 8.3619 8.3619 9.3595 9.3595 9.3828 9.3828 10.0155 10.0155 10.3635 10.3635 11.0387 11.0387 11.1103 11.1103 k = 0.0379 0.0379 0.2389 ( 6658 PWs) bands (ev): -91.7736 -91.7736 -91.7647 -91.7647 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2789 -3.2789 -3.1027 -3.1027 0.8359 0.8359 1.8700 1.8700 4.8276 4.8276 4.8393 4.8393 4.8816 4.8816 4.9317 4.9317 8.4256 8.4256 9.3574 9.3574 9.5085 9.5085 10.0313 10.0313 10.3015 10.3015 11.0407 11.0407 11.0571 11.0571 k = 0.0303 0.0303 0.2389 ( 6658 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6616 -91.6616 -3.2884 -3.2884 -3.1120 -3.1120 0.8278 0.8278 1.8635 1.8635 4.8555 4.8555 4.8633 4.8633 4.9173 4.9173 4.9500 4.9500 8.4800 8.4800 9.3346 9.3346 9.6556 9.6556 10.0457 10.0457 10.2499 10.2499 10.9634 10.9634 11.0764 11.0764 k = 0.0227 0.0227 0.2389 ( 6666 PWs) bands (ev): -91.7736 -91.7736 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.2959 -3.2959 -3.1193 -3.1193 0.8215 0.8215 1.8583 1.8583 4.8777 4.8777 4.8822 4.8822 4.9457 4.9457 4.9644 4.9644 8.5239 8.5239 9.3158 9.3158 9.7979 9.7979 10.0576 10.0576 10.2091 10.2091 10.8715 10.8715 11.0960 11.0960 k = 0.0152 0.0152 0.2389 ( 6666 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3012 -3.3012 -3.1244 -3.1244 0.8170 0.8170 1.8547 1.8547 4.8938 4.8938 4.8958 4.8958 4.9664 4.9664 4.9748 4.9748 8.5561 8.5561 9.3017 9.3017 9.9285 9.9285 10.0664 10.0664 10.1798 10.1798 10.7695 10.7695 11.1143 11.1143 k = 0.0076 0.0076 0.2389 ( 6662 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3044 -3.3044 -3.1275 -3.1275 0.8143 0.8143 1.8525 1.8525 4.9035 4.9035 4.9041 4.9041 4.9789 4.9789 4.9811 4.9811 8.5758 8.5758 9.2931 9.2931 10.0313 10.0313 10.0719 10.0719 10.1621 10.1621 10.6795 10.6795 11.1188 11.1188 k = 0.0000 0.0000 0.2389 ( 6654 PWs) bands (ev): -91.7737 -91.7737 -91.7646 -91.7646 -91.7226 -91.7226 -91.7154 -91.7154 -91.6684 -91.6684 -91.6669 -91.6669 -91.6622 -91.6622 -91.6615 -91.6615 -3.3054 -3.3054 -3.1286 -3.1286 0.8134 0.8134 1.8517 1.8517 4.9066 4.9066 4.9070 4.9070 4.9828 4.9828 4.9834 4.9834 8.5825 8.5825 9.2901 9.2901 10.0728 10.0728 10.0747 10.0747 10.1562 10.1562 10.6407 10.6407 11.1087 11.1087 k = 0.0000 0.5000-0.0000 ( 6646 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6534 -1.6534 -1.6534 -1.6534 0.9718 0.9718 0.9718 0.9718 1.4912 1.4912 1.4912 1.4912 6.1696 6.1696 6.1696 6.1696 6.5087 6.5087 6.5087 6.5087 9.0821 9.0821 9.0821 9.0821 10.3756 10.3756 10.3756 10.3756 12.1441 12.1441 k = 0.0000 0.5000 0.0104 ( 6646 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6529 -1.6529 -1.6529 -1.6529 0.9587 0.9587 0.9587 0.9587 1.5067 1.5067 1.5067 1.5067 6.1609 6.1609 6.1609 6.1609 6.5090 6.5090 6.5090 6.5090 9.0901 9.0901 9.0901 9.0901 10.3710 10.3710 10.3710 10.3710 12.1521 12.1521 k = 0.0000 0.5000 0.0208 ( 6642 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6515 -1.6515 -1.6515 -1.6515 0.9233 0.9233 0.9233 0.9233 1.5493 1.5493 1.5493 1.5493 6.1350 6.1350 6.1350 6.1350 6.5098 6.5098 6.5098 6.5098 9.1137 9.1137 9.1137 9.1137 10.3572 10.3572 10.3572 10.3572 12.1647 12.1647 k = 0.0000 0.5000 0.0312 ( 6632 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6491 -1.6491 -1.6491 -1.6491 0.8735 0.8735 0.8735 0.8735 1.6112 1.6112 1.6112 1.6112 6.0930 6.0930 6.0930 6.0930 6.5111 6.5111 6.5111 6.5111 9.1520 9.1520 9.1520 9.1520 10.3352 10.3352 10.3352 10.3352 12.1645 12.1645 k = 0.0000 0.5000 0.0416 ( 6628 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6458 -1.6458 -1.6458 -1.6458 0.8159 0.8159 0.8159 0.8159 1.6857 1.6857 1.6857 1.6857 6.0361 6.0361 6.0361 6.0361 6.5128 6.5128 6.5128 6.5128 9.2034 9.2034 9.2034 9.2034 10.3062 10.3062 10.3062 10.3062 12.1643 12.1643 k = 0.0000 0.5000 0.0519 ( 6642 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6417 -1.6417 -1.6417 -1.6417 0.7546 0.7546 0.7546 0.7546 1.7687 1.7687 1.7687 1.7687 5.9660 5.9660 5.9660 5.9660 6.5151 6.5151 6.5151 6.5151 9.2661 9.2661 9.2661 9.2661 10.2714 10.2714 10.2714 10.2714 12.1640 12.1640 k = 0.0000 0.5000 0.0623 ( 6638 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6367 -1.6367 -1.6367 -1.6367 0.6921 0.6921 0.6921 0.6921 1.8579 1.8579 1.8579 1.8579 5.8846 5.8846 5.8846 5.8846 6.5178 6.5178 6.5178 6.5178 9.3381 9.3381 9.3381 9.3381 10.2324 10.2324 10.2324 10.2324 12.1635 12.1635 k = 0.0000 0.5000 0.0727 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6310 -1.6310 -1.6310 -1.6310 0.6300 0.6300 0.6300 0.6300 1.9516 1.9516 1.9516 1.9516 5.7934 5.7934 5.7934 5.7934 6.5208 6.5208 6.5208 6.5208 9.4175 9.4175 9.4175 9.4175 10.1904 10.1904 10.1904 10.1904 12.1630 12.1630 k = 0.0000 0.5000 0.0831 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6246 -1.6246 -1.6246 -1.6246 0.5691 0.5691 0.5691 0.5691 2.0491 2.0491 2.0491 2.0491 5.6941 5.6941 5.6941 5.6941 6.5242 6.5242 6.5242 6.5242 9.5024 9.5024 9.5024 9.5024 10.1467 10.1467 10.1467 10.1467 12.1624 12.1624 k = 0.0000 0.5000 0.0935 ( 6662 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6177 -1.6177 -1.6177 -1.6177 0.5102 0.5102 0.5102 0.5102 2.1496 2.1496 2.1496 2.1496 5.5882 5.5882 5.5882 5.5882 6.5278 6.5278 6.5278 6.5278 9.5909 9.5909 9.5909 9.5909 10.1023 10.1023 10.1023 10.1023 12.1616 12.1616 k = 0.0000 0.5000 0.1039 ( 6666 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6647 -91.6647 -91.6647 -91.6647 -1.6102 -1.6102 -1.6102 -1.6102 0.4536 0.4536 0.4536 0.4536 2.2529 2.2529 2.2529 2.2529 5.4769 5.4769 5.4769 5.4769 6.5317 6.5317 6.5317 6.5317 9.6815 9.6815 9.6815 9.6815 10.0581 10.0581 10.0581 10.0581 12.1606 12.1606 k = 0.0000 0.5000 0.1143 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.6024 -1.6024 -1.6024 -1.6024 0.3998 0.3998 0.3998 0.3998 2.3585 2.3585 2.3585 2.3585 5.3613 5.3613 5.3613 5.3613 6.5357 6.5357 6.5357 6.5357 9.7724 9.7724 9.7724 9.7724 10.0149 10.0149 10.0149 10.0149 12.1595 12.1595 k = 0.0000 0.5000 0.1247 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5943 -1.5943 -1.5943 -1.5943 0.3490 0.3490 0.3490 0.3490 2.4662 2.4662 2.4662 2.4662 5.2424 5.2424 5.2424 5.2424 6.5397 6.5397 6.5397 6.5397 9.8624 9.8624 9.8624 9.8624 9.9732 9.9732 9.9732 9.9732 12.1583 12.1583 k = 0.0000 0.5000 0.1351 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5861 -1.5861 -1.5861 -1.5861 0.3015 0.3015 0.3015 0.3015 2.5758 2.5758 2.5758 2.5758 5.1210 5.1210 5.1210 5.1210 6.5438 6.5438 6.5438 6.5438 9.9337 9.9337 9.9337 9.9337 9.9500 9.9500 9.9500 9.9500 12.1568 12.1568 k = 0.0000 0.5000 0.1454 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5780 -1.5780 -1.5780 -1.5780 0.2577 0.2577 0.2577 0.2577 2.6869 2.6869 2.6869 2.6869 4.9979 4.9979 4.9979 4.9979 6.5477 6.5477 6.5477 6.5477 9.8968 9.8968 9.8968 9.8968 10.0339 10.0339 10.0339 10.0339 12.1553 12.1553 k = 0.0000 0.5000 0.1558 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5702 -1.5702 -1.5702 -1.5702 0.2177 0.2177 0.2177 0.2177 2.7994 2.7994 2.7994 2.7994 4.8738 4.8738 4.8738 4.8738 6.5515 6.5515 6.5515 6.5515 9.8628 9.8628 9.8628 9.8628 10.1130 10.1130 10.1130 10.1130 12.1536 12.1536 k = 0.0000 0.5000 0.1662 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5626 -1.5626 -1.5626 -1.5626 0.1817 0.1817 0.1817 0.1817 2.9127 2.9127 2.9127 2.9127 4.7494 4.7494 4.7494 4.7494 6.5551 6.5551 6.5551 6.5551 9.8322 9.8322 9.8322 9.8322 10.1860 10.1860 10.1860 10.1860 12.1518 12.1518 k = 0.0000 0.5000 0.1766 ( 6654 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5557 -1.5557 -1.5557 -1.5557 0.1500 0.1500 0.1500 0.1500 3.0265 3.0265 3.0265 3.0265 4.6256 4.6256 4.6256 4.6256 6.5583 6.5583 6.5583 6.5583 9.8051 9.8051 9.8051 9.8051 10.2519 10.2519 10.2519 10.2519 12.1500 12.1500 k = 0.0000 0.5000 0.1870 ( 6650 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5495 -1.5495 -1.5495 -1.5495 0.1228 0.1228 0.1228 0.1228 3.1399 3.1399 3.1399 3.1399 4.5032 4.5032 4.5032 4.5032 6.5612 6.5612 6.5612 6.5612 9.7818 9.7818 9.7818 9.7818 10.3097 10.3097 10.3097 10.3097 12.1483 12.1483 k = 0.0000 0.5000 0.1974 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5441 -1.5441 -1.5441 -1.5441 0.1003 0.1003 0.1003 0.1003 3.2516 3.2516 3.2516 3.2516 4.3840 4.3840 4.3840 4.3840 6.5636 6.5636 6.5636 6.5636 9.7625 9.7625 9.7625 9.7625 10.3584 10.3584 10.3584 10.3584 12.1468 12.1468 k = 0.0000 0.5000 0.2078 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5398 -1.5398 -1.5398 -1.5398 0.0825 0.0825 0.0825 0.0825 3.3590 3.3590 3.3590 3.3590 4.2707 4.2707 4.2707 4.2707 6.5656 6.5656 6.5656 6.5656 9.7473 9.7473 9.7473 9.7473 10.3971 10.3971 10.3971 10.3971 12.1454 12.1454 k = 0.0000 0.5000 0.2182 ( 6664 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5366 -1.5366 -1.5366 -1.5366 0.0698 0.0698 0.0698 0.0698 3.4565 3.4565 3.4565 3.4565 4.1688 4.1688 4.1688 4.1688 6.5670 6.5670 6.5670 6.5670 9.7364 9.7364 9.7364 9.7364 10.4253 10.4253 10.4253 10.4253 12.1444 12.1444 k = 0.0000 0.5000 0.2285 ( 6656 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5347 -1.5347 -1.5347 -1.5347 0.0621 0.0621 0.0621 0.0621 3.5319 3.5319 3.5319 3.5319 4.0908 4.0908 4.0908 4.0908 6.5679 6.5679 6.5679 6.5679 9.7298 9.7298 9.7298 9.7298 10.4425 10.4425 10.4425 10.4425 12.1437 12.1437 k = 0.0000 0.5000 0.2389 ( 6668 PWs) bands (ev): -91.7683 -91.7683 -91.7683 -91.7683 -91.7190 -91.7190 -91.7190 -91.7190 -91.6655 -91.6655 -91.6655 -91.6655 -91.6648 -91.6648 -91.6648 -91.6648 -1.5340 -1.5340 -1.5340 -1.5340 0.0595 0.0595 0.0595 0.0595 3.5623 3.5623 3.5623 3.5623 4.0595 4.0595 4.0595 4.0595 6.5682 6.5682 6.5682 6.5682 9.7276 9.7276 9.7276 9.7276 10.4482 10.4482 10.4482 10.4482 12.1435 12.1435 k = 0.5000 0.5000-0.0000 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4208 -0.4208 -0.4208 -0.4208 1.8946 1.8946 1.8946 1.8946 3.4046 3.4046 3.4046 3.4046 3.6290 3.6290 3.6290 3.6290 3.7513 3.7513 3.7513 3.7513 4.1287 4.1287 4.1287 4.1287 11.5382 11.5382 11.5382 11.5382 12.5404 12.5404 k = 0.5000 0.5000 0.0104 ( 6640 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4206 -0.4206 -0.4206 -0.4206 1.8953 1.8953 1.8953 1.8953 3.3994 3.3994 3.3994 3.3994 3.6058 3.6058 3.6058 3.6058 3.7745 3.7745 3.7745 3.7745 4.1351 4.1351 4.1351 4.1351 11.5328 11.5328 11.5328 11.5328 12.4643 12.4643 k = 0.5000 0.5000 0.0208 ( 6644 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6655 -91.6655 -91.6655 -91.6655 -0.4202 -0.4202 -0.4202 -0.4202 1.8975 1.8975 1.8975 1.8975 3.3844 3.3844 3.3844 3.3844 3.5590 3.5590 3.5590 3.5590 3.8212 3.8212 3.8212 3.8212 4.1539 4.1539 4.1539 4.1539 11.5169 11.5169 11.5169 11.5169 12.3203 12.3203 k = 0.5000 0.5000 0.0312 ( 6644 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6656 -91.6656 -91.6656 -91.6656 -91.6654 -91.6654 -91.6654 -91.6654 -0.4196 -0.4196 -0.4196 -0.4196 1.9012 1.9012 1.9012 1.9012 3.3612 3.3612 3.3612 3.3612 3.5060 3.5060 3.5060 3.5060 3.8741 3.8741 3.8741 3.8741 4.1833 4.1833 4.1833 4.1833 11.4912 11.4912 11.4912 11.4912 12.1637 12.1637 k = 0.5000 0.5000 0.0416 ( 6636 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6654 -91.6654 -91.6654 -91.6654 -0.4187 -0.4187 -0.4187 -0.4187 1.9063 1.9063 1.9063 1.9063 3.3317 3.3317 3.3317 3.3317 3.4513 3.4513 3.4513 3.4513 3.9286 3.9286 3.9286 3.9286 4.2214 4.2214 4.2214 4.2214 11.4567 11.4567 11.4567 11.4567 12.0061 12.0061 k = 0.5000 0.5000 0.0519 ( 6652 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6654 -91.6654 -91.6654 -91.6654 -0.4175 -0.4175 -0.4175 -0.4175 1.9128 1.9128 1.9128 1.9128 3.2978 3.2978 3.2978 3.2978 3.3962 3.3962 3.3962 3.3962 3.9832 3.9832 3.9832 3.9832 4.2661 4.2661 4.2661 4.2661 11.4145 11.4145 11.4145 11.4145 11.8507 11.8507 k = 0.5000 0.5000 0.0623 ( 6652 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6654 -91.6654 -91.6654 -91.6654 -0.4162 -0.4162 -0.4162 -0.4162 1.9206 1.9206 1.9206 1.9206 3.2612 3.2612 3.2612 3.2612 3.3415 3.3415 3.3415 3.3415 4.0374 4.0374 4.0374 4.0374 4.3157 4.3157 4.3157 4.3157 11.3662 11.3662 11.3662 11.3662 11.6991 11.6991 k = 0.5000 0.5000 0.0727 ( 6652 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6654 -91.6654 -91.6654 -91.6654 -0.4147 -0.4147 -0.4147 -0.4147 1.9299 1.9299 1.9299 1.9299 3.2231 3.2231 3.2231 3.2231 3.2873 3.2873 3.2873 3.2873 4.0907 4.0907 4.0907 4.0907 4.3687 4.3687 4.3687 4.3687 11.3132 11.3132 11.3132 11.3132 11.5521 11.5521 k = 0.5000 0.5000 0.0831 ( 6668 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6654 -91.6654 -91.6654 -91.6654 -0.4130 -0.4130 -0.4130 -0.4130 1.9403 1.9403 1.9403 1.9403 3.1846 3.1846 3.1846 3.1846 3.2340 3.2340 3.2340 3.2340 4.1427 4.1427 4.1427 4.1427 4.4239 4.4239 4.4239 4.4239 11.2568 11.2568 11.2568 11.2568 11.4101 11.4101 k = 0.5000 0.5000 0.0935 ( 6668 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6657 -91.6657 -91.6657 -91.6657 -91.6653 -91.6653 -91.6653 -91.6653 -0.4112 -0.4112 -0.4112 -0.4112 1.9520 1.9520 1.9520 1.9520 3.1465 3.1465 3.1465 3.1465 3.1818 3.1818 3.1818 3.1818 4.1932 4.1932 4.1932 4.1932 4.4803 4.4803 4.4803 4.4803 11.1984 11.1984 11.1984 11.1984 11.2739 11.2739 k = 0.5000 0.5000 0.1039 ( 6668 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.4093 -0.4093 -0.4093 -0.4093 1.9649 1.9649 1.9649 1.9649 3.1094 3.1094 3.1094 3.1094 3.1309 3.1309 3.1309 3.1309 4.2419 4.2419 4.2419 4.2419 4.5369 4.5369 4.5369 4.5369 11.1392 11.1392 11.1392 11.1392 11.1438 11.1438 k = 0.5000 0.5000 0.1143 ( 6668 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.4073 -0.4073 -0.4073 -0.4073 1.9787 1.9787 1.9787 1.9787 3.0737 3.0737 3.0737 3.0737 3.0815 3.0815 3.0815 3.0815 4.2884 4.2884 4.2884 4.2884 4.5930 4.5930 4.5930 4.5930 11.0203 11.0203 11.0203 11.0203 11.0803 11.0803 k = 0.5000 0.5000 0.1247 ( 6676 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.4053 -0.4053 -0.4053 -0.4053 1.9935 1.9935 1.9935 1.9935 3.0338 3.0338 3.0338 3.0338 3.0398 3.0398 3.0398 3.0398 4.3326 4.3326 4.3326 4.3326 4.6479 4.6479 4.6479 4.6479 10.9039 10.9039 10.9039 10.9039 11.0226 11.0226 k = 0.5000 0.5000 0.1351 ( 6676 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.4033 -0.4033 -0.4033 -0.4033 2.0089 2.0089 2.0089 2.0089 2.9881 2.9881 2.9881 2.9881 3.0081 3.0081 3.0081 3.0081 4.3741 4.3741 4.3741 4.3741 4.7009 4.7009 4.7009 4.7009 10.7952 10.7952 10.7952 10.7952 10.9672 10.9672 k = 0.5000 0.5000 0.1454 ( 6660 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.4013 -0.4013 -0.4013 -0.4013 2.0249 2.0249 2.0249 2.0249 2.9445 2.9445 2.9445 2.9445 2.9788 2.9788 2.9788 2.9788 4.4126 4.4126 4.4126 4.4126 4.7513 4.7513 4.7513 4.7513 10.6946 10.6946 10.6946 10.6946 10.9148 10.9148 k = 0.5000 0.5000 0.1558 ( 6644 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6653 -91.6653 -91.6653 -91.6653 -0.3995 -0.3995 -0.3995 -0.3995 2.0411 2.0411 2.0411 2.0411 2.9035 2.9035 2.9035 2.9035 2.9521 2.9521 2.9521 2.9521 4.4479 4.4479 4.4479 4.4479 4.7985 4.7985 4.7985 4.7985 10.6028 10.6028 10.6028 10.6028 10.8660 10.8660 k = 0.5000 0.5000 0.1662 ( 6624 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.3977 -0.3977 -0.3977 -0.3977 2.0573 2.0573 2.0573 2.0573 2.8653 2.8653 2.8653 2.8653 2.9281 2.9281 2.9281 2.9281 4.4798 4.4798 4.4798 4.4798 4.8419 4.8419 4.8419 4.8419 10.5201 10.5201 10.5201 10.5201 10.8215 10.8215 k = 0.5000 0.5000 0.1766 ( 6624 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6658 -91.6658 -91.6658 -91.6658 -91.6652 -91.6652 -91.6652 -91.6652 -0.3962 -0.3962 -0.3962 -0.3962 2.0730 2.0730 2.0730 2.0730 2.8305 2.8305 2.8305 2.8305 2.9071 2.9071 2.9071 2.9071 4.5080 4.5080 4.5080 4.5080 4.8809 4.8809 4.8809 4.8809 10.4472 10.4472 10.4472 10.4472 10.7819 10.7819 k = 0.5000 0.5000 0.1870 ( 6624 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3948 -0.3948 -0.3948 -0.3948 2.0879 2.0879 2.0879 2.0879 2.7994 2.7994 2.7994 2.7994 2.8891 2.8891 2.8891 2.8891 4.5323 4.5323 4.5323 4.5323 4.9149 4.9149 4.9149 4.9149 10.3844 10.3844 10.3844 10.3844 10.7476 10.7476 k = 0.5000 0.5000 0.1974 ( 6620 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3936 -0.3936 -0.3936 -0.3936 2.1012 2.1012 2.1012 2.1012 2.7727 2.7727 2.7727 2.7727 2.8743 2.8743 2.8743 2.8743 4.5524 4.5524 4.5524 4.5524 4.9436 4.9436 4.9436 4.9436 10.3324 10.3324 10.3324 10.3324 10.7189 10.7189 k = 0.5000 0.5000 0.2078 ( 6620 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3926 -0.3926 -0.3926 -0.3926 2.1125 2.1125 2.1125 2.1125 2.7510 2.7510 2.7510 2.7510 2.8627 2.8627 2.8627 2.8627 4.5683 4.5683 4.5683 4.5683 4.9663 4.9663 4.9663 4.9663 10.2915 10.2915 10.2915 10.2915 10.6963 10.6963 k = 0.5000 0.5000 0.2182 ( 6632 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3920 -0.3920 -0.3920 -0.3920 2.1212 2.1212 2.1212 2.1212 2.7349 2.7349 2.7349 2.7349 2.8543 2.8543 2.8543 2.8543 4.5797 4.5797 4.5797 4.5797 4.9829 4.9829 4.9829 4.9829 10.2620 10.2620 10.2620 10.2620 10.6800 10.6800 k = 0.5000 0.5000 0.2285 ( 6632 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3915 -0.3915 -0.3915 -0.3915 2.1267 2.1267 2.1267 2.1267 2.7250 2.7250 2.7250 2.7250 2.8493 2.8493 2.8493 2.8493 4.5866 4.5866 4.5866 4.5866 4.9929 4.9929 4.9929 4.9929 10.2442 10.2442 10.2442 10.2442 10.6701 10.6701 k = 0.5000 0.5000 0.2389 ( 6656 PWs) bands (ev): -91.7674 -91.7674 -91.7674 -91.7674 -91.7190 -91.7190 -91.7190 -91.7190 -91.6659 -91.6659 -91.6659 -91.6659 -91.6652 -91.6652 -91.6652 -91.6652 -0.3914 -0.3914 -0.3914 -0.3914 2.1285 2.1285 2.1285 2.1285 2.7217 2.7217 2.7217 2.7217 2.8476 2.8476 2.8476 2.8476 4.5889 4.5889 4.5889 4.5889 4.9963 4.9963 4.9963 4.9963 10.2382 10.2382 10.2382 10.2382 10.6668 10.6668 Writing output data file Be4B.save init_run : 0.26s CPU 0.38s WALL ( 1 calls) electrons : 232.41s CPU 235.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 232.40s CPU 235.68s 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 : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 398 calls) cegterg : 206.10s CPU 208.50s WALL ( 627 calls) Called by sum_band: Called by *egterg: h_psi : 131.07s CPU 133.11s WALL ( 10767 calls) s_psi : 5.32s CPU 5.30s WALL ( 10767 calls) g_psi : 0.41s CPU 0.43s WALL ( 9742 calls) cdiaghg : 64.17s CPU 64.83s WALL ( 10140 calls) cegterg:over : 9.41s CPU 9.50s WALL ( 9742 calls) cegterg:upda : 10.26s CPU 10.06s WALL ( 9742 calls) cegterg:last : 4.39s CPU 4.51s WALL ( 1633 calls) cdiaghg:chol : 3.63s CPU 3.75s WALL ( 10140 calls) cdiaghg:inve : 2.32s CPU 2.40s WALL ( 10140 calls) cdiaghg:para : 3.56s CPU 3.81s WALL ( 20280 calls) Called by h_psi: h_psi:vloc : 116.52s CPU 118.44s WALL ( 10767 calls) h_psi:vnl : 14.11s CPU 14.21s WALL ( 10767 calls) add_vuspsi : 6.28s CPU 5.99s WALL ( 10767 calls) General routines calbec : 7.80s CPU 8.19s WALL ( 10767 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 105.20s CPU 106.97s WALL ( 983384 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.34s WALL ( 796 calls) Parallel routines fft_scatter : 35.09s CPU 36.31s WALL ( 983407 calls) PWSCF : 4m14.77s CPU 4m32.43s WALL This run was terminated on: 14:16:53 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=