Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:52:32 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: ./NiCN2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 22 12 3 1490 582 93 Max 23 13 4 1501 596 108 Sum 805 433 127 53789 21241 3563 bravais-lattice index = 14 lattice parameter (alat) = 5.9589 a.u. unit-cell volume = 538.8044 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.958873 celldm(2)= 1.000000 celldm(3)= 2.940412 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.940412 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.340088 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Ni 10.00 58.69340 Ni( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4702058 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.4702058 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0086207 0.0049772 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0258621 0.0149315 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0431035 0.0248858 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0603448 0.0348401 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0775862 0.0447944 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0948276 0.0547487 -0.0000000), wk = 0.0026455 k( 13) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0026455 k( 14) = ( 0.1120690 0.0647030 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1293103 0.0746574 -0.0000000), wk = 0.0026455 k( 17) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1465517 0.0846117 -0.0000000), wk = 0.0026455 k( 19) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0026455 k( 20) = ( 0.1637931 0.0945660 -0.0000000), wk = 0.0026455 k( 21) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1810345 0.1045203 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0026455 k( 24) = ( 0.1982759 0.1144746 -0.0000000), wk = 0.0026455 k( 25) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0026455 k( 26) = ( 0.2155172 0.1244289 -0.0000000), wk = 0.0026455 k( 27) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0026455 k( 28) = ( 0.2327586 0.1343833 -0.0000000), wk = 0.0026455 k( 29) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0026455 k( 30) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026455 k( 31) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2672414 0.1542919 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2844828 0.1642462 -0.0000000), wk = 0.0026455 k( 35) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0026455 k( 36) = ( 0.3017241 0.1742005 -0.0000000), wk = 0.0026455 k( 37) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0026455 k( 38) = ( 0.3189655 0.1841548 -0.0000000), wk = 0.0026455 k( 39) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0026455 k( 40) = ( 0.3362069 0.1941091 -0.0000000), wk = 0.0026455 k( 41) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0026455 k( 42) = ( 0.3534483 0.2040635 -0.0000000), wk = 0.0026455 k( 43) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0026455 k( 44) = ( 0.3706897 0.2140178 -0.0000000), wk = 0.0026455 k( 45) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0026455 k( 46) = ( 0.3879310 0.2239721 -0.0000000), wk = 0.0026455 k( 47) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0026455 k( 48) = ( 0.4051724 0.2339264 -0.0000000), wk = 0.0026455 k( 49) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0026455 k( 50) = ( 0.4224138 0.2438807 -0.0000000), wk = 0.0026455 k( 51) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0026455 k( 52) = ( 0.4396552 0.2538350 -0.0000000), wk = 0.0026455 k( 53) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0026455 k( 54) = ( 0.4568966 0.2637893 -0.0000000), wk = 0.0026455 k( 55) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0026455 k( 56) = ( 0.4741379 0.2737437 -0.0000000), wk = 0.0026455 k( 57) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0026455 k( 58) = ( 0.4913793 0.2836980 -0.0000000), wk = 0.0026455 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 61) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0026455 k( 62) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0026455 k( 63) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0026455 k( 64) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0026455 k( 65) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0026455 k( 66) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0026455 k( 67) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0026455 k( 68) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0026455 k( 69) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0026455 k( 70) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0026455 k( 71) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0026455 k( 72) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0026455 k( 73) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0026455 k( 74) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0026455 k( 75) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0026455 k( 76) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0026455 k( 77) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026455 k( 78) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0026455 k( 81) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0026455 k( 82) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0026455 k( 83) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0026455 k( 84) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0026455 k( 85) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0026455 k( 86) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0026455 k( 87) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0026455 k( 88) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0026455 k( 89) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0026455 k( 90) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0026455 k( 91) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0026455 k( 92) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0026455 k( 93) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0026455 k( 94) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 96) = ( 0.3283582 0.5687331 -0.0000000), wk = 0.0026455 k( 97) = ( 0.3233831 0.5601159 -0.0000000), wk = 0.0026455 k( 98) = ( 0.3184080 0.5514988 -0.0000000), wk = 0.0026455 k( 99) = ( 0.3134328 0.5428816 -0.0000000), wk = 0.0026455 k( 100) = ( 0.3084577 0.5342644 -0.0000000), wk = 0.0026455 k( 101) = ( 0.3034826 0.5256473 -0.0000000), wk = 0.0026455 k( 102) = ( 0.2985075 0.5170301 -0.0000000), wk = 0.0026455 k( 103) = ( 0.2935323 0.5084129 -0.0000000), wk = 0.0026455 k( 104) = ( 0.2885572 0.4997957 -0.0000000), wk = 0.0026455 k( 105) = ( 0.2835821 0.4911786 -0.0000000), wk = 0.0026455 k( 106) = ( 0.2786070 0.4825614 -0.0000000), wk = 0.0026455 k( 107) = ( 0.2736318 0.4739442 -0.0000000), wk = 0.0026455 k( 108) = ( 0.2686567 0.4653271 -0.0000000), wk = 0.0026455 k( 109) = ( 0.2636816 0.4567099 -0.0000000), wk = 0.0026455 k( 110) = ( 0.2587065 0.4480928 -0.0000000), wk = 0.0026455 k( 111) = ( 0.2537313 0.4394756 -0.0000000), wk = 0.0026455 k( 112) = ( 0.2487562 0.4308584 -0.0000000), wk = 0.0026455 k( 113) = ( 0.2437811 0.4222412 -0.0000000), wk = 0.0026455 k( 114) = ( 0.2388060 0.4136241 -0.0000000), wk = 0.0026455 k( 115) = ( 0.2338309 0.4050069 -0.0000000), wk = 0.0026455 k( 116) = ( 0.2288557 0.3963897 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2238806 0.3877726 -0.0000000), wk = 0.0026455 k( 118) = ( 0.2189055 0.3791554 -0.0000000), wk = 0.0026455 k( 119) = ( 0.2139303 0.3705382 -0.0000000), wk = 0.0026455 k( 120) = ( 0.2089552 0.3619211 -0.0000000), wk = 0.0026455 k( 121) = ( 0.2039801 0.3533039 -0.0000000), wk = 0.0026455 k( 122) = ( 0.1990050 0.3446867 -0.0000000), wk = 0.0026455 k( 123) = ( 0.1940299 0.3360696 -0.0000000), wk = 0.0026455 k( 124) = ( 0.1890547 0.3274524 -0.0000000), wk = 0.0026455 k( 125) = ( 0.1840796 0.3188352 -0.0000000), wk = 0.0026455 k( 126) = ( 0.1791045 0.3102181 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1741293 0.3016009 -0.0000000), wk = 0.0026455 k( 128) = ( 0.1691542 0.2929837 -0.0000000), wk = 0.0026455 k( 129) = ( 0.1641791 0.2843665 -0.0000000), wk = 0.0026455 k( 130) = ( 0.1592040 0.2757494 -0.0000000), wk = 0.0026455 k( 131) = ( 0.1542289 0.2671322 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1492537 0.2585150 -0.0000000), wk = 0.0026455 k( 133) = ( 0.1442786 0.2498979 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1393035 0.2412807 -0.0000000), wk = 0.0026455 k( 135) = ( 0.1343284 0.2326635 -0.0000000), wk = 0.0026455 k( 136) = ( 0.1293532 0.2240464 -0.0000000), wk = 0.0026455 k( 137) = ( 0.1243781 0.2154292 -0.0000000), wk = 0.0026455 k( 138) = ( 0.1194030 0.2068120 -0.0000000), wk = 0.0026455 k( 139) = ( 0.1144279 0.1981949 -0.0000000), wk = 0.0026455 k( 140) = ( 0.1094527 0.1895777 -0.0000000), wk = 0.0026455 k( 141) = ( 0.1044776 0.1809605 -0.0000000), wk = 0.0026455 k( 142) = ( 0.0995025 0.1723434 -0.0000000), wk = 0.0026455 k( 143) = ( 0.0945274 0.1637262 -0.0000000), wk = 0.0026455 k( 144) = ( 0.0895522 0.1551090 -0.0000000), wk = 0.0026455 k( 145) = ( 0.0845771 0.1464919 -0.0000000), wk = 0.0026455 k( 146) = ( 0.0796020 0.1378747 -0.0000000), wk = 0.0026455 k( 147) = ( 0.0746269 0.1292575 -0.0000000), wk = 0.0026455 k( 148) = ( 0.0696517 0.1206404 -0.0000000), wk = 0.0026455 k( 149) = ( 0.0646766 0.1120232 -0.0000000), wk = 0.0026455 k( 150) = ( 0.0597015 0.1034060 -0.0000000), wk = 0.0026455 k( 151) = ( 0.0547264 0.0947889 -0.0000000), wk = 0.0026455 k( 152) = ( 0.0497512 0.0861717 -0.0000000), wk = 0.0026455 k( 153) = ( 0.0447761 0.0775545 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0398010 0.0689374 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0348259 0.0603202 -0.0000000), wk = 0.0026455 k( 156) = ( 0.0298507 0.0517030 -0.0000000), wk = 0.0026455 k( 157) = ( 0.0248756 0.0430858 -0.0000000), wk = 0.0026455 k( 158) = ( 0.0199005 0.0344687 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0149254 0.0258515 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0099503 0.0172343 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0049751 0.0086172 -0.0000000), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.0100026), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.0200052), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.0300078), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.0400104), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.0500130), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.0600156), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.0700182), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.0800208), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.0900234), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.1000260), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.1100286), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.1200312), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.1300338), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.1400364), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.1500390), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.1600416), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.1700442), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.1700442), wk = 0.0026455 k( 182) = ( 0.0086207 0.0049772 0.1700442), wk = 0.0026455 k( 183) = ( 0.0172414 0.0099543 0.1700442), wk = 0.0026455 k( 184) = ( 0.0258621 0.0149315 0.1700442), wk = 0.0026455 k( 185) = ( 0.0344828 0.0199086 0.1700442), wk = 0.0026455 k( 186) = ( 0.0431035 0.0248858 0.1700442), wk = 0.0026455 k( 187) = ( 0.0517241 0.0298629 0.1700442), wk = 0.0026455 k( 188) = ( 0.0603448 0.0348401 0.1700442), wk = 0.0026455 k( 189) = ( 0.0689655 0.0398173 0.1700442), wk = 0.0026455 k( 190) = ( 0.0775862 0.0447944 0.1700442), wk = 0.0026455 k( 191) = ( 0.0862069 0.0497716 0.1700442), wk = 0.0026455 k( 192) = ( 0.0948276 0.0547487 0.1700442), wk = 0.0026455 k( 193) = ( 0.1034483 0.0597259 0.1700442), wk = 0.0026455 k( 194) = ( 0.1120690 0.0647030 0.1700442), wk = 0.0026455 k( 195) = ( 0.1206897 0.0696802 0.1700442), wk = 0.0026455 k( 196) = ( 0.1293103 0.0746574 0.1700442), wk = 0.0026455 k( 197) = ( 0.1379310 0.0796345 0.1700442), wk = 0.0026455 k( 198) = ( 0.1465517 0.0846117 0.1700442), wk = 0.0026455 k( 199) = ( 0.1551724 0.0895888 0.1700442), wk = 0.0026455 k( 200) = ( 0.1637931 0.0945660 0.1700442), wk = 0.0026455 k( 201) = ( 0.1724138 0.0995431 0.1700442), wk = 0.0026455 k( 202) = ( 0.1810345 0.1045203 0.1700442), wk = 0.0026455 k( 203) = ( 0.1896552 0.1094975 0.1700442), wk = 0.0026455 k( 204) = ( 0.1982759 0.1144746 0.1700442), wk = 0.0026455 k( 205) = ( 0.2068966 0.1194518 0.1700442), wk = 0.0026455 k( 206) = ( 0.2155172 0.1244289 0.1700442), wk = 0.0026455 k( 207) = ( 0.2241379 0.1294061 0.1700442), wk = 0.0026455 k( 208) = ( 0.2327586 0.1343833 0.1700442), wk = 0.0026455 k( 209) = ( 0.2413793 0.1393604 0.1700442), wk = 0.0026455 k( 210) = ( 0.2500000 0.1443376 0.1700442), wk = 0.0026455 k( 211) = ( 0.2586207 0.1493147 0.1700442), wk = 0.0026455 k( 212) = ( 0.2672414 0.1542919 0.1700442), wk = 0.0026455 k( 213) = ( 0.2758621 0.1592690 0.1700442), wk = 0.0026455 k( 214) = ( 0.2844828 0.1642462 0.1700442), wk = 0.0026455 k( 215) = ( 0.2931034 0.1692234 0.1700442), wk = 0.0026455 k( 216) = ( 0.3017241 0.1742005 0.1700442), wk = 0.0026455 k( 217) = ( 0.3103448 0.1791777 0.1700442), wk = 0.0026455 k( 218) = ( 0.3189655 0.1841548 0.1700442), wk = 0.0026455 k( 219) = ( 0.3275862 0.1891320 0.1700442), wk = 0.0026455 k( 220) = ( 0.3362069 0.1941091 0.1700442), wk = 0.0026455 k( 221) = ( 0.3448276 0.1990863 0.1700442), wk = 0.0026455 k( 222) = ( 0.3534483 0.2040635 0.1700442), wk = 0.0026455 k( 223) = ( 0.3620690 0.2090406 0.1700442), wk = 0.0026455 k( 224) = ( 0.3706897 0.2140178 0.1700442), wk = 0.0026455 k( 225) = ( 0.3793103 0.2189949 0.1700442), wk = 0.0026455 k( 226) = ( 0.3879310 0.2239721 0.1700442), wk = 0.0026455 k( 227) = ( 0.3965517 0.2289492 0.1700442), wk = 0.0026455 k( 228) = ( 0.4051724 0.2339264 0.1700442), wk = 0.0026455 k( 229) = ( 0.4137931 0.2389036 0.1700442), wk = 0.0026455 k( 230) = ( 0.4224138 0.2438807 0.1700442), wk = 0.0026455 k( 231) = ( 0.4310345 0.2488579 0.1700442), wk = 0.0026455 k( 232) = ( 0.4396552 0.2538350 0.1700442), wk = 0.0026455 k( 233) = ( 0.4482759 0.2588122 0.1700442), wk = 0.0026455 k( 234) = ( 0.4568966 0.2637893 0.1700442), wk = 0.0026455 k( 235) = ( 0.4655172 0.2687665 0.1700442), wk = 0.0026455 k( 236) = ( 0.4741379 0.2737437 0.1700442), wk = 0.0026455 k( 237) = ( 0.4827586 0.2787208 0.1700442), wk = 0.0026455 k( 238) = ( 0.4913793 0.2836980 0.1700442), wk = 0.0026455 k( 239) = ( 0.5000000 0.2886751 0.1700442), wk = 0.0026455 k( 240) = ( 0.5000000 0.2886751 0.1700442), wk = 0.0026455 k( 241) = ( 0.4950980 0.2971656 0.1700442), wk = 0.0026455 k( 242) = ( 0.4901961 0.3056560 0.1700442), wk = 0.0026455 k( 243) = ( 0.4852941 0.3141465 0.1700442), wk = 0.0026455 k( 244) = ( 0.4803922 0.3226369 0.1700442), wk = 0.0026455 k( 245) = ( 0.4754902 0.3311274 0.1700442), wk = 0.0026455 k( 246) = ( 0.4705882 0.3396178 0.1700442), wk = 0.0026455 k( 247) = ( 0.4656863 0.3481082 0.1700442), wk = 0.0026455 k( 248) = ( 0.4607843 0.3565987 0.1700442), wk = 0.0026455 k( 249) = ( 0.4558823 0.3650891 0.1700442), wk = 0.0026455 k( 250) = ( 0.4509804 0.3735796 0.1700442), wk = 0.0026455 k( 251) = ( 0.4460784 0.3820700 0.1700442), wk = 0.0026455 k( 252) = ( 0.4411765 0.3905605 0.1700442), wk = 0.0026455 k( 253) = ( 0.4362745 0.3990509 0.1700442), wk = 0.0026455 k( 254) = ( 0.4313726 0.4075414 0.1700442), wk = 0.0026455 k( 255) = ( 0.4264706 0.4160318 0.1700442), wk = 0.0026455 k( 256) = ( 0.4215686 0.4245223 0.1700442), wk = 0.0026455 k( 257) = ( 0.4166667 0.4330127 0.1700442), wk = 0.0026455 k( 258) = ( 0.4117647 0.4415032 0.1700442), wk = 0.0026455 k( 259) = ( 0.4068627 0.4499936 0.1700442), wk = 0.0026455 k( 260) = ( 0.4019608 0.4584840 0.1700442), wk = 0.0026455 k( 261) = ( 0.3970588 0.4669745 0.1700442), wk = 0.0026455 k( 262) = ( 0.3921569 0.4754649 0.1700442), wk = 0.0026455 k( 263) = ( 0.3872549 0.4839554 0.1700442), wk = 0.0026455 k( 264) = ( 0.3823529 0.4924458 0.1700442), wk = 0.0026455 k( 265) = ( 0.3774510 0.5009363 0.1700442), wk = 0.0026455 k( 266) = ( 0.3725490 0.5094267 0.1700442), wk = 0.0026455 k( 267) = ( 0.3676471 0.5179172 0.1700442), wk = 0.0026455 k( 268) = ( 0.3627451 0.5264076 0.1700442), wk = 0.0026455 k( 269) = ( 0.3578431 0.5348981 0.1700442), wk = 0.0026455 k( 270) = ( 0.3529412 0.5433885 0.1700442), wk = 0.0026455 k( 271) = ( 0.3480392 0.5518789 0.1700442), wk = 0.0026455 k( 272) = ( 0.3431373 0.5603694 0.1700442), wk = 0.0026455 k( 273) = ( 0.3382353 0.5688598 0.1700442), wk = 0.0026455 k( 274) = ( 0.3333333 0.5773503 0.1700442), wk = 0.0026455 k( 275) = ( 0.3333333 0.5773503 0.1700442), wk = 0.0026455 k( 276) = ( 0.3283582 0.5687331 0.1700442), wk = 0.0026455 k( 277) = ( 0.3233831 0.5601159 0.1700442), wk = 0.0026455 k( 278) = ( 0.3184080 0.5514988 0.1700442), wk = 0.0026455 k( 279) = ( 0.3134328 0.5428816 0.1700442), wk = 0.0026455 k( 280) = ( 0.3084577 0.5342644 0.1700442), wk = 0.0026455 k( 281) = ( 0.3034826 0.5256473 0.1700442), wk = 0.0026455 k( 282) = ( 0.2985075 0.5170301 0.1700442), wk = 0.0026455 k( 283) = ( 0.2935323 0.5084129 0.1700442), wk = 0.0026455 k( 284) = ( 0.2885572 0.4997957 0.1700442), wk = 0.0026455 k( 285) = ( 0.2835821 0.4911786 0.1700442), wk = 0.0026455 k( 286) = ( 0.2786070 0.4825614 0.1700442), wk = 0.0026455 k( 287) = ( 0.2736318 0.4739442 0.1700442), wk = 0.0026455 k( 288) = ( 0.2686567 0.4653271 0.1700442), wk = 0.0026455 k( 289) = ( 0.2636816 0.4567099 0.1700442), wk = 0.0026455 k( 290) = ( 0.2587065 0.4480928 0.1700442), wk = 0.0026455 k( 291) = ( 0.2537313 0.4394756 0.1700442), wk = 0.0026455 k( 292) = ( 0.2487562 0.4308584 0.1700442), wk = 0.0026455 k( 293) = ( 0.2437811 0.4222412 0.1700442), wk = 0.0026455 k( 294) = ( 0.2388060 0.4136241 0.1700442), wk = 0.0026455 k( 295) = ( 0.2338309 0.4050069 0.1700442), wk = 0.0026455 k( 296) = ( 0.2288557 0.3963897 0.1700442), wk = 0.0026455 k( 297) = ( 0.2238806 0.3877726 0.1700442), wk = 0.0026455 k( 298) = ( 0.2189055 0.3791554 0.1700442), wk = 0.0026455 k( 299) = ( 0.2139303 0.3705382 0.1700442), wk = 0.0026455 k( 300) = ( 0.2089552 0.3619211 0.1700442), wk = 0.0026455 k( 301) = ( 0.2039801 0.3533039 0.1700442), wk = 0.0026455 k( 302) = ( 0.1990050 0.3446867 0.1700442), wk = 0.0026455 k( 303) = ( 0.1940299 0.3360696 0.1700442), wk = 0.0026455 k( 304) = ( 0.1890547 0.3274524 0.1700442), wk = 0.0026455 k( 305) = ( 0.1840796 0.3188352 0.1700442), wk = 0.0026455 k( 306) = ( 0.1791045 0.3102181 0.1700442), wk = 0.0026455 k( 307) = ( 0.1741293 0.3016009 0.1700442), wk = 0.0026455 k( 308) = ( 0.1691542 0.2929837 0.1700442), wk = 0.0026455 k( 309) = ( 0.1641791 0.2843665 0.1700442), wk = 0.0026455 k( 310) = ( 0.1592040 0.2757494 0.1700442), wk = 0.0026455 k( 311) = ( 0.1542289 0.2671322 0.1700442), wk = 0.0026455 k( 312) = ( 0.1492537 0.2585150 0.1700442), wk = 0.0026455 k( 313) = ( 0.1442786 0.2498979 0.1700442), wk = 0.0026455 k( 314) = ( 0.1393035 0.2412807 0.1700442), wk = 0.0026455 k( 315) = ( 0.1343284 0.2326635 0.1700442), wk = 0.0026455 k( 316) = ( 0.1293532 0.2240464 0.1700442), wk = 0.0026455 k( 317) = ( 0.1243781 0.2154292 0.1700442), wk = 0.0026455 k( 318) = ( 0.1194030 0.2068120 0.1700442), wk = 0.0026455 k( 319) = ( 0.1144279 0.1981949 0.1700442), wk = 0.0026455 k( 320) = ( 0.1094527 0.1895777 0.1700442), wk = 0.0026455 k( 321) = ( 0.1044776 0.1809605 0.1700442), wk = 0.0026455 k( 322) = ( 0.0995025 0.1723434 0.1700442), wk = 0.0026455 k( 323) = ( 0.0945274 0.1637262 0.1700442), wk = 0.0026455 k( 324) = ( 0.0895522 0.1551090 0.1700442), wk = 0.0026455 k( 325) = ( 0.0845771 0.1464919 0.1700442), wk = 0.0026455 k( 326) = ( 0.0796020 0.1378747 0.1700442), wk = 0.0026455 k( 327) = ( 0.0746269 0.1292575 0.1700442), wk = 0.0026455 k( 328) = ( 0.0696517 0.1206404 0.1700442), wk = 0.0026455 k( 329) = ( 0.0646766 0.1120232 0.1700442), wk = 0.0026455 k( 330) = ( 0.0597015 0.1034060 0.1700442), wk = 0.0026455 k( 331) = ( 0.0547264 0.0947889 0.1700442), wk = 0.0026455 k( 332) = ( 0.0497512 0.0861717 0.1700442), wk = 0.0026455 k( 333) = ( 0.0447761 0.0775545 0.1700442), wk = 0.0026455 k( 334) = ( 0.0398010 0.0689374 0.1700442), wk = 0.0026455 k( 335) = ( 0.0348259 0.0603202 0.1700442), wk = 0.0026455 k( 336) = ( 0.0298507 0.0517030 0.1700442), wk = 0.0026455 k( 337) = ( 0.0248756 0.0430858 0.1700442), wk = 0.0026455 k( 338) = ( 0.0199005 0.0344687 0.1700442), wk = 0.0026455 k( 339) = ( 0.0149254 0.0258515 0.1700442), wk = 0.0026455 k( 340) = ( 0.0099503 0.0172343 0.1700442), wk = 0.0026455 k( 341) = ( 0.0049751 0.0086172 0.1700442), wk = 0.0026455 k( 342) = ( 0.0000000 0.0000000 0.1700442), wk = 0.0026455 k( 343) = ( 0.5000000 0.2886751 0.1700442), wk = 0.0026455 k( 344) = ( 0.5000000 0.2886751 0.1600416), wk = 0.0026455 k( 345) = ( 0.5000000 0.2886751 0.1500390), wk = 0.0026455 k( 346) = ( 0.5000000 0.2886751 0.1400364), wk = 0.0026455 k( 347) = ( 0.5000000 0.2886751 0.1300338), wk = 0.0026455 k( 348) = ( 0.5000000 0.2886751 0.1200312), wk = 0.0026455 k( 349) = ( 0.5000000 0.2886751 0.1100286), wk = 0.0026455 k( 350) = ( 0.5000000 0.2886751 0.1000260), wk = 0.0026455 k( 351) = ( 0.5000000 0.2886751 0.0900234), wk = 0.0026455 k( 352) = ( 0.5000000 0.2886751 0.0800208), wk = 0.0026455 k( 353) = ( 0.5000000 0.2886751 0.0700182), wk = 0.0026455 k( 354) = ( 0.5000000 0.2886751 0.0600156), wk = 0.0026455 k( 355) = ( 0.5000000 0.2886751 0.0500130), wk = 0.0026455 k( 356) = ( 0.5000000 0.2886751 0.0400104), wk = 0.0026455 k( 357) = ( 0.5000000 0.2886751 0.0300078), wk = 0.0026455 k( 358) = ( 0.5000000 0.2886751 0.0200052), wk = 0.0026455 k( 359) = ( 0.5000000 0.2886751 0.0100026), wk = 0.0026455 k( 360) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026455 k( 361) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026455 k( 362) = ( 0.3333333 0.5773503 0.0100026), wk = 0.0026455 k( 363) = ( 0.3333333 0.5773503 0.0200052), wk = 0.0026455 k( 364) = ( 0.3333333 0.5773503 0.0300078), wk = 0.0026455 k( 365) = ( 0.3333333 0.5773503 0.0400104), wk = 0.0026455 k( 366) = ( 0.3333333 0.5773503 0.0500130), wk = 0.0026455 k( 367) = ( 0.3333333 0.5773503 0.0600156), wk = 0.0026455 k( 368) = ( 0.3333333 0.5773503 0.0700182), wk = 0.0026455 k( 369) = ( 0.3333333 0.5773503 0.0800208), wk = 0.0026455 k( 370) = ( 0.3333333 0.5773503 0.0900234), wk = 0.0026455 k( 371) = ( 0.3333333 0.5773503 0.1000260), wk = 0.0026455 k( 372) = ( 0.3333333 0.5773503 0.1100286), wk = 0.0026455 k( 373) = ( 0.3333333 0.5773503 0.1200312), wk = 0.0026455 k( 374) = ( 0.3333333 0.5773503 0.1300338), wk = 0.0026455 k( 375) = ( 0.3333333 0.5773503 0.1400364), wk = 0.0026455 k( 376) = ( 0.3333333 0.5773503 0.1500390), wk = 0.0026455 k( 377) = ( 0.3333333 0.5773503 0.1600416), wk = 0.0026455 k( 378) = ( 0.3333333 0.5773503 0.1700442), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0086207 -0.0000000 -0.0000000), wk = 0.0026455 k( 3) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0026455 k( 4) = ( 0.0258621 0.0000000 -0.0000000), wk = 0.0026455 k( 5) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0026455 k( 6) = ( 0.0431035 0.0000000 -0.0000000), wk = 0.0026455 k( 7) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0026455 k( 8) = ( 0.0603448 0.0000000 -0.0000000), wk = 0.0026455 k( 9) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0026455 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0026455 k( 11) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0026455 k( 12) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0026455 k( 13) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0026455 k( 14) = ( 0.1120690 0.0000000 -0.0000000), wk = 0.0026455 k( 15) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0026455 k( 16) = ( 0.1293103 -0.0000000 0.0000000), wk = 0.0026455 k( 17) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0026455 k( 18) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0026455 k( 19) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0026455 k( 20) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0026455 k( 21) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0026455 k( 22) = ( 0.1810345 -0.0000000 -0.0000000), wk = 0.0026455 k( 23) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0026455 k( 24) = ( 0.1982759 0.0000000 -0.0000000), wk = 0.0026455 k( 25) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0026455 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0026455 k( 27) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0026455 k( 28) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0026455 k( 29) = ( 0.2413793 0.0000000 -0.0000000), wk = 0.0026455 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026455 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0026455 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0026455 k( 33) = ( 0.2758621 0.0000000 -0.0000000), wk = 0.0026455 k( 34) = ( 0.2844828 -0.0000000 0.0000000), wk = 0.0026455 k( 35) = ( 0.2931034 -0.0000000 0.0000000), wk = 0.0026455 k( 36) = ( 0.3017241 -0.0000000 0.0000000), wk = 0.0026455 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0026455 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0026455 k( 39) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0026455 k( 40) = ( 0.3362069 -0.0000000 -0.0000000), wk = 0.0026455 k( 41) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0026455 k( 42) = ( 0.3534483 0.0000000 -0.0000000), wk = 0.0026455 k( 43) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0026455 k( 44) = ( 0.3706897 0.0000000 -0.0000000), wk = 0.0026455 k( 45) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0026455 k( 46) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0026455 k( 47) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0026455 k( 48) = ( 0.4051724 0.0000000 -0.0000000), wk = 0.0026455 k( 49) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0026455 k( 50) = ( 0.4224138 0.0000000 -0.0000000), wk = 0.0026455 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0026455 k( 52) = ( 0.4396552 0.0000000 0.0000000), wk = 0.0026455 k( 53) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0026455 k( 54) = ( 0.4568966 -0.0000000 0.0000000), wk = 0.0026455 k( 55) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0026455 k( 56) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0026455 k( 57) = ( 0.4827586 0.0000000 -0.0000000), wk = 0.0026455 k( 58) = ( 0.4913793 0.0000000 -0.0000000), wk = 0.0026455 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 61) = ( 0.4950980 0.0098039 0.0000000), wk = 0.0026455 k( 62) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0026455 k( 63) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0026455 k( 64) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0026455 k( 65) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0026455 k( 66) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0026455 k( 67) = ( 0.4656863 0.0686275 -0.0000000), wk = 0.0026455 k( 68) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0026455 k( 69) = ( 0.4558823 0.0882353 -0.0000000), wk = 0.0026455 k( 70) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0026455 k( 71) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0026455 k( 72) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0026455 k( 73) = ( 0.4362745 0.1274510 -0.0000000), wk = 0.0026455 k( 74) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0026455 k( 75) = ( 0.4264706 0.1470588 0.0000000), wk = 0.0026455 k( 76) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0026455 k( 77) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026455 k( 78) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0026455 k( 79) = ( 0.4068627 0.1862745 -0.0000000), wk = 0.0026455 k( 80) = ( 0.4019608 0.1960784 0.0000000), wk = 0.0026455 k( 81) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0026455 k( 82) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0026455 k( 83) = ( 0.3872549 0.2254902 0.0000000), wk = 0.0026455 k( 84) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0026455 k( 85) = ( 0.3774510 0.2450980 0.0000000), wk = 0.0026455 k( 86) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0026455 k( 87) = ( 0.3676471 0.2647059 -0.0000000), wk = 0.0026455 k( 88) = ( 0.3627451 0.2745098 -0.0000000), wk = 0.0026455 k( 89) = ( 0.3578431 0.2843137 -0.0000000), wk = 0.0026455 k( 90) = ( 0.3529412 0.2941177 0.0000000), wk = 0.0026455 k( 91) = ( 0.3480392 0.3039216 0.0000000), wk = 0.0026455 k( 92) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0026455 k( 93) = ( 0.3382353 0.3235294 0.0000000), wk = 0.0026455 k( 94) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 95) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 96) = ( 0.3283582 0.3283582 0.0000000), wk = 0.0026455 k( 97) = ( 0.3233831 0.3233831 -0.0000000), wk = 0.0026455 k( 98) = ( 0.3184080 0.3184080 0.0000000), wk = 0.0026455 k( 99) = ( 0.3134328 0.3134328 -0.0000000), wk = 0.0026455 k( 100) = ( 0.3084577 0.3084577 0.0000000), wk = 0.0026455 k( 101) = ( 0.3034826 0.3034826 -0.0000000), wk = 0.0026455 k( 102) = ( 0.2985075 0.2985075 0.0000000), wk = 0.0026455 k( 103) = ( 0.2935323 0.2935323 -0.0000000), wk = 0.0026455 k( 104) = ( 0.2885572 0.2885572 0.0000000), wk = 0.0026455 k( 105) = ( 0.2835821 0.2835821 -0.0000000), wk = 0.0026455 k( 106) = ( 0.2786070 0.2786070 0.0000000), wk = 0.0026455 k( 107) = ( 0.2736318 0.2736318 0.0000000), wk = 0.0026455 k( 108) = ( 0.2686567 0.2686567 0.0000000), wk = 0.0026455 k( 109) = ( 0.2636816 0.2636816 0.0000000), wk = 0.0026455 k( 110) = ( 0.2587065 0.2587065 -0.0000000), wk = 0.0026455 k( 111) = ( 0.2537313 0.2537313 -0.0000000), wk = 0.0026455 k( 112) = ( 0.2487562 0.2487562 -0.0000000), wk = 0.0026455 k( 113) = ( 0.2437811 0.2437811 0.0000000), wk = 0.0026455 k( 114) = ( 0.2388060 0.2388060 0.0000000), wk = 0.0026455 k( 115) = ( 0.2338309 0.2338309 -0.0000000), wk = 0.0026455 k( 116) = ( 0.2288557 0.2288557 -0.0000000), wk = 0.0026455 k( 117) = ( 0.2238806 0.2238806 0.0000000), wk = 0.0026455 k( 118) = ( 0.2189055 0.2189055 0.0000000), wk = 0.0026455 k( 119) = ( 0.2139303 0.2139303 0.0000000), wk = 0.0026455 k( 120) = ( 0.2089552 0.2089552 -0.0000000), wk = 0.0026455 k( 121) = ( 0.2039801 0.2039801 0.0000000), wk = 0.0026455 k( 122) = ( 0.1990050 0.1990050 -0.0000000), wk = 0.0026455 k( 123) = ( 0.1940299 0.1940299 -0.0000000), wk = 0.0026455 k( 124) = ( 0.1890547 0.1890547 0.0000000), wk = 0.0026455 k( 125) = ( 0.1840796 0.1840796 0.0000000), wk = 0.0026455 k( 126) = ( 0.1791045 0.1791045 -0.0000000), wk = 0.0026455 k( 127) = ( 0.1741293 0.1741294 0.0000000), wk = 0.0026455 k( 128) = ( 0.1691542 0.1691542 0.0000000), wk = 0.0026455 k( 129) = ( 0.1641791 0.1641791 0.0000000), wk = 0.0026455 k( 130) = ( 0.1592040 0.1592040 0.0000000), wk = 0.0026455 k( 131) = ( 0.1542289 0.1542289 -0.0000000), wk = 0.0026455 k( 132) = ( 0.1492537 0.1492537 0.0000000), wk = 0.0026455 k( 133) = ( 0.1442786 0.1442786 -0.0000000), wk = 0.0026455 k( 134) = ( 0.1393035 0.1393035 0.0000000), wk = 0.0026455 k( 135) = ( 0.1343284 0.1343284 0.0000000), wk = 0.0026455 k( 136) = ( 0.1293532 0.1293532 -0.0000000), wk = 0.0026455 k( 137) = ( 0.1243781 0.1243781 -0.0000000), wk = 0.0026455 k( 138) = ( 0.1194030 0.1194030 -0.0000000), wk = 0.0026455 k( 139) = ( 0.1144279 0.1144279 -0.0000000), wk = 0.0026455 k( 140) = ( 0.1094527 0.1094527 -0.0000000), wk = 0.0026455 k( 141) = ( 0.1044776 0.1044776 -0.0000000), wk = 0.0026455 k( 142) = ( 0.0995025 0.0995025 -0.0000000), wk = 0.0026455 k( 143) = ( 0.0945274 0.0945274 0.0000000), wk = 0.0026455 k( 144) = ( 0.0895522 0.0895522 -0.0000000), wk = 0.0026455 k( 145) = ( 0.0845771 0.0845771 0.0000000), wk = 0.0026455 k( 146) = ( 0.0796020 0.0796020 0.0000000), wk = 0.0026455 k( 147) = ( 0.0746269 0.0746269 0.0000000), wk = 0.0026455 k( 148) = ( 0.0696517 0.0696517 0.0000000), wk = 0.0026455 k( 149) = ( 0.0646766 0.0646766 -0.0000000), wk = 0.0026455 k( 150) = ( 0.0597015 0.0597015 0.0000000), wk = 0.0026455 k( 151) = ( 0.0547264 0.0547264 -0.0000000), wk = 0.0026455 k( 152) = ( 0.0497512 0.0497512 0.0000000), wk = 0.0026455 k( 153) = ( 0.0447761 0.0447761 -0.0000000), wk = 0.0026455 k( 154) = ( 0.0398010 0.0398010 -0.0000000), wk = 0.0026455 k( 155) = ( 0.0348259 0.0348259 0.0000000), wk = 0.0026455 k( 156) = ( 0.0298507 0.0298508 0.0000000), wk = 0.0026455 k( 157) = ( 0.0248756 0.0248756 0.0000000), wk = 0.0026455 k( 158) = ( 0.0199005 0.0199005 -0.0000000), wk = 0.0026455 k( 159) = ( 0.0149254 0.0149254 -0.0000000), wk = 0.0026455 k( 160) = ( 0.0099503 0.0099502 -0.0000000), wk = 0.0026455 k( 161) = ( 0.0049751 0.0049751 -0.0000000), wk = 0.0026455 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 164) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0026455 k( 165) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0026455 k( 166) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0026455 k( 167) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0026455 k( 168) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0026455 k( 169) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0026455 k( 170) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0026455 k( 171) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0026455 k( 172) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0026455 k( 173) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0026455 k( 174) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0026455 k( 175) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0026455 k( 176) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0026455 k( 177) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0026455 k( 178) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0026455 k( 179) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0026455 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 182) = ( 0.0086207 -0.0000000 0.5000000), wk = 0.0026455 k( 183) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0026455 k( 184) = ( 0.0258621 0.0000000 0.5000000), wk = 0.0026455 k( 185) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0026455 k( 186) = ( 0.0431035 0.0000000 0.5000000), wk = 0.0026455 k( 187) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0026455 k( 188) = ( 0.0603448 0.0000000 0.5000000), wk = 0.0026455 k( 189) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0026455 k( 190) = ( 0.0775862 -0.0000000 0.5000000), wk = 0.0026455 k( 191) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0026455 k( 192) = ( 0.0948276 0.0000000 0.5000000), wk = 0.0026455 k( 193) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0026455 k( 194) = ( 0.1120690 0.0000000 0.5000000), wk = 0.0026455 k( 195) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0026455 k( 196) = ( 0.1293103 -0.0000000 0.5000000), wk = 0.0026455 k( 197) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0026455 k( 198) = ( 0.1465517 0.0000000 0.5000000), wk = 0.0026455 k( 199) = ( 0.1551724 -0.0000000 0.5000000), wk = 0.0026455 k( 200) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0026455 k( 201) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0026455 k( 202) = ( 0.1810345 -0.0000000 0.5000000), wk = 0.0026455 k( 203) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0026455 k( 204) = ( 0.1982759 0.0000000 0.5000000), wk = 0.0026455 k( 205) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0026455 k( 206) = ( 0.2155172 0.0000000 0.5000000), wk = 0.0026455 k( 207) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0026455 k( 208) = ( 0.2327586 0.0000000 0.5000000), wk = 0.0026455 k( 209) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0026455 k( 210) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026455 k( 211) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0026455 k( 212) = ( 0.2672414 -0.0000000 0.5000000), wk = 0.0026455 k( 213) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0026455 k( 214) = ( 0.2844828 -0.0000000 0.5000000), wk = 0.0026455 k( 215) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0026455 k( 216) = ( 0.3017241 -0.0000000 0.5000000), wk = 0.0026455 k( 217) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0026455 k( 218) = ( 0.3189655 0.0000000 0.5000000), wk = 0.0026455 k( 219) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0026455 k( 220) = ( 0.3362069 -0.0000000 0.5000000), wk = 0.0026455 k( 221) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0026455 k( 222) = ( 0.3534483 0.0000000 0.5000000), wk = 0.0026455 k( 223) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0026455 k( 224) = ( 0.3706897 0.0000000 0.5000000), wk = 0.0026455 k( 225) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0026455 k( 226) = ( 0.3879310 0.0000000 0.5000000), wk = 0.0026455 k( 227) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0026455 k( 228) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0026455 k( 229) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0026455 k( 230) = ( 0.4224138 0.0000000 0.5000000), wk = 0.0026455 k( 231) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0026455 k( 232) = ( 0.4396552 0.0000000 0.5000000), wk = 0.0026455 k( 233) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0026455 k( 234) = ( 0.4568966 -0.0000000 0.5000000), wk = 0.0026455 k( 235) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0026455 k( 236) = ( 0.4741379 0.0000000 0.5000000), wk = 0.0026455 k( 237) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0026455 k( 238) = ( 0.4913793 0.0000000 0.5000000), wk = 0.0026455 k( 239) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 241) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0026455 k( 242) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0026455 k( 243) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0026455 k( 244) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0026455 k( 245) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0026455 k( 246) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0026455 k( 247) = ( 0.4656863 0.0686275 0.5000000), wk = 0.0026455 k( 248) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0026455 k( 249) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0026455 k( 250) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0026455 k( 251) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0026455 k( 252) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0026455 k( 253) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0026455 k( 254) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0026455 k( 255) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0026455 k( 256) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0026455 k( 257) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026455 k( 258) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0026455 k( 259) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0026455 k( 260) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0026455 k( 261) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0026455 k( 262) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0026455 k( 263) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0026455 k( 264) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0026455 k( 265) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0026455 k( 266) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0026455 k( 267) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0026455 k( 268) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0026455 k( 269) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0026455 k( 270) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0026455 k( 271) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0026455 k( 272) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0026455 k( 273) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0026455 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 275) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 k( 276) = ( 0.3283582 0.3283582 0.5000000), wk = 0.0026455 k( 277) = ( 0.3233831 0.3233831 0.5000000), wk = 0.0026455 k( 278) = ( 0.3184080 0.3184080 0.5000000), wk = 0.0026455 k( 279) = ( 0.3134328 0.3134328 0.5000000), wk = 0.0026455 k( 280) = ( 0.3084577 0.3084577 0.5000000), wk = 0.0026455 k( 281) = ( 0.3034826 0.3034826 0.5000000), wk = 0.0026455 k( 282) = ( 0.2985075 0.2985075 0.5000000), wk = 0.0026455 k( 283) = ( 0.2935323 0.2935323 0.5000000), wk = 0.0026455 k( 284) = ( 0.2885572 0.2885572 0.5000000), wk = 0.0026455 k( 285) = ( 0.2835821 0.2835821 0.5000000), wk = 0.0026455 k( 286) = ( 0.2786070 0.2786070 0.5000000), wk = 0.0026455 k( 287) = ( 0.2736318 0.2736318 0.5000000), wk = 0.0026455 k( 288) = ( 0.2686567 0.2686567 0.5000000), wk = 0.0026455 k( 289) = ( 0.2636816 0.2636816 0.5000000), wk = 0.0026455 k( 290) = ( 0.2587065 0.2587065 0.5000000), wk = 0.0026455 k( 291) = ( 0.2537313 0.2537313 0.5000000), wk = 0.0026455 k( 292) = ( 0.2487562 0.2487562 0.5000000), wk = 0.0026455 k( 293) = ( 0.2437811 0.2437811 0.5000000), wk = 0.0026455 k( 294) = ( 0.2388060 0.2388060 0.5000000), wk = 0.0026455 k( 295) = ( 0.2338309 0.2338309 0.5000000), wk = 0.0026455 k( 296) = ( 0.2288557 0.2288557 0.5000000), wk = 0.0026455 k( 297) = ( 0.2238806 0.2238806 0.5000000), wk = 0.0026455 k( 298) = ( 0.2189055 0.2189055 0.5000000), wk = 0.0026455 k( 299) = ( 0.2139303 0.2139303 0.5000000), wk = 0.0026455 k( 300) = ( 0.2089552 0.2089552 0.5000000), wk = 0.0026455 k( 301) = ( 0.2039801 0.2039801 0.5000000), wk = 0.0026455 k( 302) = ( 0.1990050 0.1990050 0.5000000), wk = 0.0026455 k( 303) = ( 0.1940299 0.1940299 0.5000000), wk = 0.0026455 k( 304) = ( 0.1890547 0.1890547 0.5000000), wk = 0.0026455 k( 305) = ( 0.1840796 0.1840796 0.5000000), wk = 0.0026455 k( 306) = ( 0.1791045 0.1791045 0.5000000), wk = 0.0026455 k( 307) = ( 0.1741293 0.1741294 0.5000000), wk = 0.0026455 k( 308) = ( 0.1691542 0.1691542 0.5000000), wk = 0.0026455 k( 309) = ( 0.1641791 0.1641791 0.5000000), wk = 0.0026455 k( 310) = ( 0.1592040 0.1592040 0.5000000), wk = 0.0026455 k( 311) = ( 0.1542289 0.1542289 0.5000000), wk = 0.0026455 k( 312) = ( 0.1492537 0.1492537 0.5000000), wk = 0.0026455 k( 313) = ( 0.1442786 0.1442786 0.5000000), wk = 0.0026455 k( 314) = ( 0.1393035 0.1393035 0.5000000), wk = 0.0026455 k( 315) = ( 0.1343284 0.1343284 0.5000000), wk = 0.0026455 k( 316) = ( 0.1293532 0.1293532 0.5000000), wk = 0.0026455 k( 317) = ( 0.1243781 0.1243781 0.5000000), wk = 0.0026455 k( 318) = ( 0.1194030 0.1194030 0.5000000), wk = 0.0026455 k( 319) = ( 0.1144279 0.1144279 0.5000000), wk = 0.0026455 k( 320) = ( 0.1094527 0.1094527 0.5000000), wk = 0.0026455 k( 321) = ( 0.1044776 0.1044776 0.5000000), wk = 0.0026455 k( 322) = ( 0.0995025 0.0995025 0.5000000), wk = 0.0026455 k( 323) = ( 0.0945274 0.0945274 0.5000000), wk = 0.0026455 k( 324) = ( 0.0895522 0.0895522 0.5000000), wk = 0.0026455 k( 325) = ( 0.0845771 0.0845771 0.5000000), wk = 0.0026455 k( 326) = ( 0.0796020 0.0796020 0.5000000), wk = 0.0026455 k( 327) = ( 0.0746269 0.0746269 0.5000000), wk = 0.0026455 k( 328) = ( 0.0696517 0.0696517 0.5000000), wk = 0.0026455 k( 329) = ( 0.0646766 0.0646766 0.5000000), wk = 0.0026455 k( 330) = ( 0.0597015 0.0597015 0.5000000), wk = 0.0026455 k( 331) = ( 0.0547264 0.0547264 0.5000000), wk = 0.0026455 k( 332) = ( 0.0497512 0.0497512 0.5000000), wk = 0.0026455 k( 333) = ( 0.0447761 0.0447761 0.5000000), wk = 0.0026455 k( 334) = ( 0.0398010 0.0398010 0.5000000), wk = 0.0026455 k( 335) = ( 0.0348259 0.0348259 0.5000000), wk = 0.0026455 k( 336) = ( 0.0298507 0.0298508 0.5000000), wk = 0.0026455 k( 337) = ( 0.0248756 0.0248756 0.5000000), wk = 0.0026455 k( 338) = ( 0.0199005 0.0199005 0.5000000), wk = 0.0026455 k( 339) = ( 0.0149254 0.0149254 0.5000000), wk = 0.0026455 k( 340) = ( 0.0099503 0.0099502 0.5000000), wk = 0.0026455 k( 341) = ( 0.0049751 0.0049751 0.5000000), wk = 0.0026455 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 343) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026455 k( 344) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0026455 k( 345) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0026455 k( 346) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0026455 k( 347) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0026455 k( 348) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0026455 k( 349) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0026455 k( 350) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0026455 k( 351) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0026455 k( 352) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0026455 k( 353) = ( 0.5000000 0.0000000 0.2058824), wk = 0.0026455 k( 354) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0026455 k( 355) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0026455 k( 356) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0026455 k( 357) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0026455 k( 358) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0026455 k( 359) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0026455 k( 360) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026455 k( 361) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026455 k( 362) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0026455 k( 363) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0026455 k( 364) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0026455 k( 365) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0026455 k( 366) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0026455 k( 367) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0026455 k( 368) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0026455 k( 369) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0026455 k( 370) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0026455 k( 371) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0026455 k( 372) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0026455 k( 373) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0026455 k( 374) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0026455 k( 375) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0026455 k( 376) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0026455 k( 377) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0026455 k( 378) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026455 Dense grid: 53789 G-vectors FFT dimensions: ( 36, 36, 108) Smooth grid: 21241 G-vectors FFT dimensions: ( 25, 25, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 162, 58) NL pseudopotentials 0.19 Mb ( 81, 152) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1499) G-vector shells 0.01 Mb ( 716) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 162, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./NiCN2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.7 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.2 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.0 secs Computing kpt #: 24 total cpu time spent up to now is 15.4 secs Computing kpt #: 25 total cpu time spent up to now is 15.9 secs Computing kpt #: 26 total cpu time spent up to now is 16.3 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.2 secs Computing kpt #: 29 total cpu time spent up to now is 17.6 secs Computing kpt #: 30 total cpu time spent up to now is 18.0 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.2 secs Computing kpt #: 34 total cpu time spent up to now is 19.5 secs Computing kpt #: 35 total cpu time spent up to now is 19.9 secs Computing kpt #: 36 total cpu time spent up to now is 20.3 secs Computing kpt #: 37 total cpu time spent up to now is 20.6 secs Computing kpt #: 38 total cpu time spent up to now is 21.0 secs Computing kpt #: 39 total cpu time spent up to now is 21.3 secs Computing kpt #: 40 total cpu time spent up to now is 21.7 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.3 secs Computing kpt #: 43 total cpu time spent up to now is 22.7 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.3 secs Computing kpt #: 46 total cpu time spent up to now is 23.7 secs Computing kpt #: 47 total cpu time spent up to now is 24.0 secs Computing kpt #: 48 total cpu time spent up to now is 24.3 secs Computing kpt #: 49 total cpu time spent up to now is 24.6 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 25.9 secs Computing kpt #: 54 total cpu time spent up to now is 26.2 secs Computing kpt #: 55 total cpu time spent up to now is 26.5 secs Computing kpt #: 56 total cpu time spent up to now is 26.9 secs Computing kpt #: 57 total cpu time spent up to now is 27.2 secs Computing kpt #: 58 total cpu time spent up to now is 27.5 secs Computing kpt #: 59 total cpu time spent up to now is 27.8 secs Computing kpt #: 60 total cpu time spent up to now is 28.1 secs Computing kpt #: 61 total cpu time spent up to now is 28.4 secs Computing kpt #: 62 total cpu time spent up to now is 28.7 secs Computing kpt #: 63 total cpu time spent up to now is 29.0 secs Computing kpt #: 64 total cpu time spent up to now is 29.4 secs Computing kpt #: 65 total cpu time spent up to now is 29.7 secs Computing kpt #: 66 total cpu time spent up to now is 30.0 secs Computing kpt #: 67 total cpu time spent up to now is 30.3 secs Computing kpt #: 68 total cpu time spent up to now is 30.7 secs Computing kpt #: 69 total cpu time spent up to now is 31.0 secs Computing kpt #: 70 total cpu time spent up to now is 31.3 secs Computing kpt #: 71 total cpu time spent up to now is 31.6 secs Computing kpt #: 72 total cpu time spent up to now is 31.9 secs Computing kpt #: 73 total cpu time spent up to now is 32.3 secs Computing kpt #: 74 total cpu time spent up to now is 32.6 secs Computing kpt #: 75 total cpu time spent up to now is 32.9 secs Computing kpt #: 76 total cpu time spent up to now is 33.2 secs Computing kpt #: 77 total cpu time spent up to now is 33.6 secs Computing kpt #: 78 total cpu time spent up to now is 33.9 secs Computing kpt #: 79 total cpu time spent up to now is 34.2 secs Computing kpt #: 80 total cpu time spent up to now is 34.5 secs Computing kpt #: 81 total cpu time spent up to now is 34.9 secs Computing kpt #: 82 total cpu time spent up to now is 35.2 secs Computing kpt #: 83 total cpu time spent up to now is 35.6 secs Computing kpt #: 84 total cpu time spent up to now is 35.9 secs Computing kpt #: 85 total cpu time spent up to now is 36.3 secs Computing kpt #: 86 total cpu time spent up to now is 36.6 secs Computing kpt #: 87 total cpu time spent up to now is 37.0 secs Computing kpt #: 88 total cpu time spent up to now is 37.4 secs Computing kpt #: 89 total cpu time spent up to now is 37.7 secs Computing kpt #: 90 total cpu time spent up to now is 38.1 secs Computing kpt #: 91 total cpu time spent up to now is 38.5 secs Computing kpt #: 92 total cpu time spent up to now is 38.8 secs Computing kpt #: 93 total cpu time spent up to now is 39.2 secs Computing kpt #: 94 total cpu time spent up to now is 39.6 secs Computing kpt #: 95 total cpu time spent up to now is 40.0 secs Computing kpt #: 96 total cpu time spent up to now is 40.4 secs Computing kpt #: 97 total cpu time spent up to now is 40.7 secs Computing kpt #: 98 total cpu time spent up to now is 41.1 secs Computing kpt #: 99 total cpu time spent up to now is 41.5 secs Computing kpt #: 100 total cpu time spent up to now is 41.9 secs Computing kpt #: 101 total cpu time spent up to now is 42.2 secs Computing kpt #: 102 total cpu time spent up to now is 42.6 secs Computing kpt #: 103 total cpu time spent up to now is 43.0 secs Computing kpt #: 104 total cpu time spent up to now is 43.4 secs Computing kpt #: 105 total cpu time spent up to now is 43.7 secs Computing kpt #: 106 total cpu time spent up to now is 44.1 secs Computing kpt #: 107 total cpu time spent up to now is 44.5 secs Computing kpt #: 108 total cpu time spent up to now is 44.9 secs Computing kpt #: 109 total cpu time spent up to now is 45.2 secs Computing kpt #: 110 total cpu time spent up to now is 45.6 secs Computing kpt #: 111 total cpu time spent up to now is 46.0 secs Computing kpt #: 112 total cpu time spent up to now is 46.4 secs Computing kpt #: 113 total cpu time spent up to now is 46.8 secs Computing kpt #: 114 total cpu time spent up to now is 47.2 secs Computing kpt #: 115 total cpu time spent up to now is 47.6 secs Computing kpt #: 116 total cpu time spent up to now is 48.0 secs Computing kpt #: 117 total cpu time spent up to now is 48.4 secs Computing kpt #: 118 total cpu time spent up to now is 48.7 secs Computing kpt #: 119 total cpu time spent up to now is 49.1 secs Computing kpt #: 120 total cpu time spent up to now is 49.5 secs Computing kpt #: 121 total cpu time spent up to now is 49.9 secs Computing kpt #: 122 total cpu time spent up to now is 50.4 secs Computing kpt #: 123 total cpu time spent up to now is 50.8 secs Computing kpt #: 124 total cpu time spent up to now is 51.2 secs Computing kpt #: 125 total cpu time spent up to now is 51.6 secs Computing kpt #: 126 total cpu time spent up to now is 52.0 secs Computing kpt #: 127 total cpu time spent up to now is 52.5 secs Computing kpt #: 128 total cpu time spent up to now is 52.9 secs Computing kpt #: 129 total cpu time spent up to now is 53.4 secs Computing kpt #: 130 total cpu time spent up to now is 53.9 secs Computing kpt #: 131 total cpu time spent up to now is 54.3 secs Computing kpt #: 132 total cpu time spent up to now is 54.8 secs Computing kpt #: 133 total cpu time spent up to now is 55.3 secs Computing kpt #: 134 total cpu time spent up to now is 55.7 secs Computing kpt #: 135 total cpu time spent up to now is 56.1 secs Computing kpt #: 136 total cpu time spent up to now is 56.6 secs Computing kpt #: 137 total cpu time spent up to now is 57.0 secs Computing kpt #: 138 total cpu time spent up to now is 57.4 secs Computing kpt #: 139 total cpu time spent up to now is 57.8 secs Computing kpt #: 140 total cpu time spent up to now is 58.2 secs Computing kpt #: 141 total cpu time spent up to now is 58.7 secs Computing kpt #: 142 total cpu time spent up to now is 59.1 secs Computing kpt #: 143 total cpu time spent up to now is 59.5 secs Computing kpt #: 144 total cpu time spent up to now is 59.9 secs Computing kpt #: 145 total cpu time spent up to now is 60.4 secs Computing kpt #: 146 total cpu time spent up to now is 60.8 secs Computing kpt #: 147 total cpu time spent up to now is 61.2 secs Computing kpt #: 148 total cpu time spent up to now is 61.6 secs Computing kpt #: 149 total cpu time spent up to now is 62.0 secs Computing kpt #: 150 total cpu time spent up to now is 62.4 secs Computing kpt #: 151 total cpu time spent up to now is 62.9 secs Computing kpt #: 152 total cpu time spent up to now is 63.3 secs Computing kpt #: 153 total cpu time spent up to now is 63.8 secs Computing kpt #: 154 total cpu time spent up to now is 64.3 secs Computing kpt #: 155 total cpu time spent up to now is 64.9 secs Computing kpt #: 156 total cpu time spent up to now is 65.4 secs Computing kpt #: 157 total cpu time spent up to now is 66.1 secs Computing kpt #: 158 total cpu time spent up to now is 66.7 secs Computing kpt #: 159 total cpu time spent up to now is 67.3 secs Computing kpt #: 160 total cpu time spent up to now is 68.0 secs Computing kpt #: 161 total cpu time spent up to now is 68.9 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.2 secs Computing kpt #: 163 total cpu time spent up to now is 70.7 secs Computing kpt #: 164 total cpu time spent up to now is 71.6 secs Computing kpt #: 165 total cpu time spent up to now is 72.4 secs Computing kpt #: 166 total cpu time spent up to now is 73.3 secs Computing kpt #: 167 total cpu time spent up to now is 74.3 secs Computing kpt #: 168 total cpu time spent up to now is 75.0 secs Computing kpt #: 169 total cpu time spent up to now is 76.2 secs Computing kpt #: 170 total cpu time spent up to now is 77.2 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.8 secs Computing kpt #: 173 total cpu time spent up to now is 81.1 secs Computing kpt #: 174 total cpu time spent up to now is 82.2 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.5 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.9 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.2 secs Computing kpt #: 178 total cpu time spent up to now is 87.0 secs Computing kpt #: 179 total cpu time spent up to now is 87.8 secs Computing kpt #: 180 total cpu time spent up to now is 88.5 secs Computing kpt #: 181 total cpu time spent up to now is 89.2 secs Computing kpt #: 182 total cpu time spent up to now is 89.7 secs Computing kpt #: 183 total cpu time spent up to now is 90.9 secs Computing kpt #: 184 total cpu time spent up to now is 91.4 secs Computing kpt #: 185 total cpu time spent up to now is 91.9 secs Computing kpt #: 186 total cpu time spent up to now is 92.5 secs Computing kpt #: 187 total cpu time spent up to now is 93.1 secs Computing kpt #: 188 total cpu time spent up to now is 93.5 secs Computing kpt #: 189 total cpu time spent up to now is 94.0 secs Computing kpt #: 190 total cpu time spent up to now is 94.4 secs Computing kpt #: 191 total cpu time spent up to now is 94.9 secs Computing kpt #: 192 total cpu time spent up to now is 95.4 secs Computing kpt #: 193 total cpu time spent up to now is 95.8 secs Computing kpt #: 194 total cpu time spent up to now is 96.2 secs Computing kpt #: 195 total cpu time spent up to now is 96.6 secs Computing kpt #: 196 total cpu time spent up to now is 97.0 secs Computing kpt #: 197 total cpu time spent up to now is 97.4 secs Computing kpt #: 198 total cpu time spent up to now is 97.9 secs Computing kpt #: 199 total cpu time spent up to now is 98.3 secs Computing kpt #: 200 total cpu time spent up to now is 98.8 secs Computing kpt #: 201 total cpu time spent up to now is 99.3 secs Computing kpt #: 202 total cpu time spent up to now is 99.8 secs Computing kpt #: 203 total cpu time spent up to now is 100.2 secs Computing kpt #: 204 total cpu time spent up to now is 100.7 secs Computing kpt #: 205 total cpu time spent up to now is 101.2 secs Computing kpt #: 206 total cpu time spent up to now is 101.7 secs Computing kpt #: 207 total cpu time spent up to now is 102.2 secs Computing kpt #: 208 total cpu time spent up to now is 102.7 secs Computing kpt #: 209 total cpu time spent up to now is 103.3 secs Computing kpt #: 210 total cpu time spent up to now is 103.8 secs Computing kpt #: 211 total cpu time spent up to now is 104.3 secs Computing kpt #: 212 total cpu time spent up to now is 104.7 secs Computing kpt #: 213 total cpu time spent up to now is 105.1 secs Computing kpt #: 214 total cpu time spent up to now is 105.5 secs Computing kpt #: 215 total cpu time spent up to now is 105.9 secs Computing kpt #: 216 total cpu time spent up to now is 106.3 secs Computing kpt #: 217 total cpu time spent up to now is 106.6 secs Computing kpt #: 218 total cpu time spent up to now is 107.0 secs Computing kpt #: 219 total cpu time spent up to now is 107.4 secs Computing kpt #: 220 total cpu time spent up to now is 107.7 secs Computing kpt #: 221 total cpu time spent up to now is 108.2 secs Computing kpt #: 222 total cpu time spent up to now is 108.6 secs Computing kpt #: 223 total cpu time spent up to now is 109.1 secs Computing kpt #: 224 total cpu time spent up to now is 109.5 secs Computing kpt #: 225 total cpu time spent up to now is 109.9 secs Computing kpt #: 226 total cpu time spent up to now is 110.2 secs Computing kpt #: 227 total cpu time spent up to now is 110.6 secs Computing kpt #: 228 total cpu time spent up to now is 110.9 secs Computing kpt #: 229 total cpu time spent up to now is 111.3 secs Computing kpt #: 230 total cpu time spent up to now is 111.6 secs Computing kpt #: 231 total cpu time spent up to now is 112.0 secs Computing kpt #: 232 total cpu time spent up to now is 112.3 secs Computing kpt #: 233 total cpu time spent up to now is 112.6 secs Computing kpt #: 234 total cpu time spent up to now is 113.0 secs Computing kpt #: 235 total cpu time spent up to now is 113.3 secs Computing kpt #: 236 total cpu time spent up to now is 113.6 secs Computing kpt #: 237 total cpu time spent up to now is 114.0 secs Computing kpt #: 238 total cpu time spent up to now is 114.3 secs Computing kpt #: 239 total cpu time spent up to now is 114.6 secs Computing kpt #: 240 total cpu time spent up to now is 115.0 secs Computing kpt #: 241 total cpu time spent up to now is 115.3 secs Computing kpt #: 242 total cpu time spent up to now is 116.0 secs Computing kpt #: 243 total cpu time spent up to now is 116.6 secs Computing kpt #: 244 total cpu time spent up to now is 117.4 secs Computing kpt #: 245 total cpu time spent up to now is 117.9 secs Computing kpt #: 246 total cpu time spent up to now is 118.5 secs Computing kpt #: 247 total cpu time spent up to now is 119.0 secs Computing kpt #: 248 total cpu time spent up to now is 119.5 secs Computing kpt #: 249 total cpu time spent up to now is 120.0 secs Computing kpt #: 250 total cpu time spent up to now is 120.5 secs Computing kpt #: 251 total cpu time spent up to now is 121.0 secs Computing kpt #: 252 total cpu time spent up to now is 121.5 secs Computing kpt #: 253 total cpu time spent up to now is 122.0 secs Computing kpt #: 254 total cpu time spent up to now is 122.5 secs Computing kpt #: 255 total cpu time spent up to now is 123.0 secs Computing kpt #: 256 total cpu time spent up to now is 123.5 secs Computing kpt #: 257 total cpu time spent up to now is 123.9 secs Computing kpt #: 258 total cpu time spent up to now is 124.4 secs Computing kpt #: 259 total cpu time spent up to now is 124.9 secs Computing kpt #: 260 total cpu time spent up to now is 125.3 secs Computing kpt #: 261 total cpu time spent up to now is 125.9 secs Computing kpt #: 262 total cpu time spent up to now is 126.4 secs Computing kpt #: 263 total cpu time spent up to now is 126.8 secs Computing kpt #: 264 total cpu time spent up to now is 127.3 secs Computing kpt #: 265 total cpu time spent up to now is 127.7 secs Computing kpt #: 266 total cpu time spent up to now is 128.2 secs Computing kpt #: 267 total cpu time spent up to now is 128.6 secs Computing kpt #: 268 total cpu time spent up to now is 129.1 secs Computing kpt #: 269 total cpu time spent up to now is 129.5 secs Computing kpt #: 270 total cpu time spent up to now is 130.0 secs Computing kpt #: 271 total cpu time spent up to now is 130.4 secs Computing kpt #: 272 total cpu time spent up to now is 130.9 secs Computing kpt #: 273 total cpu time spent up to now is 131.3 secs Computing kpt #: 274 total cpu time spent up to now is 131.8 secs Computing kpt #: 275 total cpu time spent up to now is 132.2 secs Computing kpt #: 276 total cpu time spent up to now is 132.7 secs Computing kpt #: 277 total cpu time spent up to now is 133.1 secs Computing kpt #: 278 total cpu time spent up to now is 133.6 secs Computing kpt #: 279 total cpu time spent up to now is 134.0 secs Computing kpt #: 280 total cpu time spent up to now is 134.4 secs Computing kpt #: 281 total cpu time spent up to now is 134.9 secs Computing kpt #: 282 total cpu time spent up to now is 135.3 secs Computing kpt #: 283 total cpu time spent up to now is 135.8 secs Computing kpt #: 284 total cpu time spent up to now is 136.3 secs Computing kpt #: 285 total cpu time spent up to now is 136.8 secs Computing kpt #: 286 total cpu time spent up to now is 137.2 secs Computing kpt #: 287 total cpu time spent up to now is 137.7 secs Computing kpt #: 288 total cpu time spent up to now is 138.1 secs Computing kpt #: 289 total cpu time spent up to now is 138.6 secs Computing kpt #: 290 total cpu time spent up to now is 139.1 secs Computing kpt #: 291 total cpu time spent up to now is 139.6 secs Computing kpt #: 292 total cpu time spent up to now is 140.1 secs Computing kpt #: 293 total cpu time spent up to now is 140.6 secs Computing kpt #: 294 total cpu time spent up to now is 141.1 secs Computing kpt #: 295 total cpu time spent up to now is 141.6 secs Computing kpt #: 296 total cpu time spent up to now is 142.1 secs Computing kpt #: 297 total cpu time spent up to now is 142.6 secs Computing kpt #: 298 total cpu time spent up to now is 143.1 secs Computing kpt #: 299 total cpu time spent up to now is 143.6 secs Computing kpt #: 300 total cpu time spent up to now is 144.1 secs Computing kpt #: 301 total cpu time spent up to now is 144.6 secs Computing kpt #: 302 total cpu time spent up to now is 145.1 secs Computing kpt #: 303 total cpu time spent up to now is 145.6 secs Computing kpt #: 304 total cpu time spent up to now is 146.1 secs Computing kpt #: 305 total cpu time spent up to now is 146.6 secs Computing kpt #: 306 total cpu time spent up to now is 147.1 secs Computing kpt #: 307 total cpu time spent up to now is 147.6 secs Computing kpt #: 308 total cpu time spent up to now is 148.2 secs Computing kpt #: 309 total cpu time spent up to now is 148.7 secs Computing kpt #: 310 total cpu time spent up to now is 149.3 secs Computing kpt #: 311 total cpu time spent up to now is 149.9 secs Computing kpt #: 312 total cpu time spent up to now is 150.4 secs Computing kpt #: 313 total cpu time spent up to now is 150.9 secs Computing kpt #: 314 total cpu time spent up to now is 151.5 secs Computing kpt #: 315 total cpu time spent up to now is 152.0 secs Computing kpt #: 316 total cpu time spent up to now is 152.6 secs Computing kpt #: 317 total cpu time spent up to now is 153.2 secs Computing kpt #: 318 total cpu time spent up to now is 153.7 secs Computing kpt #: 319 total cpu time spent up to now is 154.2 secs Computing kpt #: 320 total cpu time spent up to now is 154.7 secs Computing kpt #: 321 total cpu time spent up to now is 155.2 secs Computing kpt #: 322 total cpu time spent up to now is 155.9 secs Computing kpt #: 323 total cpu time spent up to now is 156.4 secs Computing kpt #: 324 total cpu time spent up to now is 156.9 secs Computing kpt #: 325 total cpu time spent up to now is 157.4 secs Computing kpt #: 326 total cpu time spent up to now is 158.0 secs Computing kpt #: 327 total cpu time spent up to now is 158.6 secs Computing kpt #: 328 total cpu time spent up to now is 159.1 secs Computing kpt #: 329 total cpu time spent up to now is 159.7 secs Computing kpt #: 330 total cpu time spent up to now is 160.4 secs Computing kpt #: 331 total cpu time spent up to now is 161.0 secs Computing kpt #: 332 total cpu time spent up to now is 161.7 secs Computing kpt #: 333 total cpu time spent up to now is 162.4 secs Computing kpt #: 334 total cpu time spent up to now is 163.1 secs Computing kpt #: 335 total cpu time spent up to now is 164.2 secs Computing kpt #: 336 total cpu time spent up to now is 164.6 secs Computing kpt #: 337 total cpu time spent up to now is 165.3 secs Computing kpt #: 338 total cpu time spent up to now is 166.0 secs Computing kpt #: 339 total cpu time spent up to now is 166.6 secs Computing kpt #: 340 total cpu time spent up to now is 167.3 secs Computing kpt #: 341 total cpu time spent up to now is 168.2 secs Computing kpt #: 342 total cpu time spent up to now is 168.7 secs Computing kpt #: 343 total cpu time spent up to now is 169.1 secs Computing kpt #: 344 total cpu time spent up to now is 169.5 secs Computing kpt #: 345 total cpu time spent up to now is 169.9 secs Computing kpt #: 346 total cpu time spent up to now is 170.2 secs Computing kpt #: 347 total cpu time spent up to now is 170.6 secs Computing kpt #: 348 total cpu time spent up to now is 170.9 secs Computing kpt #: 349 total cpu time spent up to now is 171.2 secs Computing kpt #: 350 total cpu time spent up to now is 171.6 secs Computing kpt #: 351 total cpu time spent up to now is 171.9 secs Computing kpt #: 352 total cpu time spent up to now is 172.2 secs Computing kpt #: 353 total cpu time spent up to now is 172.5 secs Computing kpt #: 354 total cpu time spent up to now is 172.8 secs Computing kpt #: 355 total cpu time spent up to now is 173.1 secs Computing kpt #: 356 total cpu time spent up to now is 173.4 secs Computing kpt #: 357 total cpu time spent up to now is 173.8 secs Computing kpt #: 358 total cpu time spent up to now is 174.1 secs Computing kpt #: 359 total cpu time spent up to now is 174.4 secs Computing kpt #: 360 total cpu time spent up to now is 174.7 secs Computing kpt #: 361 total cpu time spent up to now is 175.1 secs Computing kpt #: 362 total cpu time spent up to now is 175.4 secs Computing kpt #: 363 total cpu time spent up to now is 175.8 secs Computing kpt #: 364 total cpu time spent up to now is 176.2 secs Computing kpt #: 365 total cpu time spent up to now is 176.6 secs Computing kpt #: 366 total cpu time spent up to now is 177.0 secs Computing kpt #: 367 total cpu time spent up to now is 177.4 secs Computing kpt #: 368 total cpu time spent up to now is 177.9 secs Computing kpt #: 369 total cpu time spent up to now is 178.4 secs Computing kpt #: 370 total cpu time spent up to now is 178.8 secs Computing kpt #: 371 total cpu time spent up to now is 179.3 secs Computing kpt #: 372 total cpu time spent up to now is 179.7 secs Computing kpt #: 373 total cpu time spent up to now is 180.2 secs Computing kpt #: 374 total cpu time spent up to now is 180.7 secs Computing kpt #: 375 total cpu time spent up to now is 181.1 secs Computing kpt #: 376 total cpu time spent up to now is 181.5 secs Computing kpt #: 377 total cpu time spent up to now is 182.0 secs Computing kpt #: 378 total cpu time spent up to now is 182.4 secs ethr = 2.08E-08, avg # of iterations = 25.8 total cpu time spent up to now is 182.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2701 PWs) bands (ev): -12.0809 -12.0809 -11.8061 -11.8061 -10.2675 -10.2675 -9.7650 -9.7650 -2.1642 -2.1642 -0.9715 -0.9715 1.4504 1.4504 2.2805 2.2805 2.2827 2.2827 2.8164 2.8164 3.0645 3.0645 3.0772 3.0772 3.9811 3.9811 4.0158 4.0158 6.4348 6.4348 6.4368 6.4368 6.4581 6.4581 6.4603 6.4603 6.4793 6.4793 6.5505 6.5505 6.6193 6.6193 6.6242 6.6242 6.9997 6.9997 7.0013 7.0013 9.1371 9.1371 9.1889 9.1889 11.3735 11.3735 11.8228 11.8228 13.8846 13.8846 k = 0.0086 0.0050-0.0000 ( 2689 PWs) bands (ev): -12.0805 -12.0805 -11.8058 -11.8058 -10.2671 -10.2671 -9.7648 -9.7648 -2.1633 -2.1633 -0.9709 -0.9709 1.4490 1.4490 2.2801 2.2801 2.2823 2.2823 2.8147 2.8147 3.0625 3.0625 3.0755 3.0755 3.9820 3.9820 4.0167 4.0167 6.4217 6.4217 6.4278 6.4278 6.4458 6.4458 6.4644 6.4644 6.4864 6.4864 6.5619 6.5619 6.6232 6.6232 6.6306 6.6306 6.9998 6.9998 7.0014 7.0014 9.1363 9.1363 9.1881 9.1881 11.3767 11.3767 11.8267 11.8267 13.8818 13.8818 k = 0.0172 0.0100-0.0000 ( 2689 PWs) bands (ev): -12.0791 -12.0791 -11.8048 -11.8048 -10.2658 -10.2658 -9.7643 -9.7643 -2.1608 -2.1608 -0.9689 -0.9689 1.4447 1.4447 2.2785 2.2785 2.2815 2.2815 2.8094 2.8094 3.0556 3.0556 3.0713 3.0713 3.9840 3.9840 4.0188 4.0188 6.3845 6.3845 6.4021 6.4021 6.4434 6.4434 6.4654 6.4654 6.4941 6.4941 6.5828 6.5828 6.6300 6.6300 6.6528 6.6528 6.9998 6.9998 7.0016 7.0016 9.1337 9.1337 9.1856 9.1856 11.3861 11.3861 11.8384 11.8384 13.8721 13.8721 k = 0.0259 0.0149-0.0000 ( 2685 PWs) bands (ev): -12.0768 -12.0768 -11.8030 -11.8030 -10.2638 -10.2638 -9.7634 -9.7634 -2.1567 -2.1567 -0.9657 -0.9657 1.4377 1.4377 2.2753 2.2753 2.2806 2.2806 2.8008 2.8008 3.0421 3.0421 3.0663 3.0663 3.9872 3.9872 4.0223 4.0223 6.3369 6.3369 6.3705 6.3705 6.4433 6.4433 6.4669 6.4669 6.4989 6.4989 6.5983 6.5983 6.6460 6.6460 6.6834 6.6834 6.9999 6.9999 7.0020 7.0020 9.1293 9.1293 9.1816 9.1816 11.4018 11.4018 11.8577 11.8577 13.8540 13.8540 k = 0.0345 0.0199-0.0000 ( 2677 PWs) bands (ev): -12.0736 -12.0736 -11.8006 -11.8006 -10.2610 -10.2610 -9.7621 -9.7621 -2.1510 -2.1510 -0.9611 -0.9611 1.4280 1.4280 2.2705 2.2705 2.2796 2.2796 2.7888 2.7888 3.0220 3.0220 3.0606 3.0606 3.9912 3.9912 4.0274 4.0274 6.2844 6.2844 6.3361 6.3361 6.4434 6.4434 6.4691 6.4691 6.5020 6.5020 6.6055 6.6055 6.6714 6.6714 6.7173 6.7173 7.0002 7.0002 7.0027 7.0027 9.1228 9.1228 9.1763 9.1763 11.4236 11.4236 11.8845 11.8845 13.8266 13.8267 k = 0.0431 0.0249-0.0000 ( 2671 PWs) bands (ev): -12.0695 -12.0695 -11.7976 -11.7976 -10.2573 -10.2573 -9.7606 -9.7606 -2.1436 -2.1436 -0.9552 -0.9552 1.4156 1.4156 2.2642 2.2642 2.2783 2.2783 2.7737 2.7737 2.9960 2.9960 3.0539 3.0539 3.9958 3.9958 4.0342 4.0342 6.2283 6.2283 6.3000 6.3000 6.4433 6.4433 6.4717 6.4717 6.5046 6.5046 6.6090 6.6090 6.7006 6.7006 6.7517 6.7517 7.0007 7.0007 7.0036 7.0036 9.1142 9.1142 9.1701 9.1701 11.4515 11.4515 11.9186 11.9186 13.7907 13.7907 k = 0.0517 0.0299-0.0000 ( 2683 PWs) bands (ev): -12.0645 -12.0645 -11.7938 -11.7938 -10.2529 -10.2529 -9.7587 -9.7587 -2.1346 -2.1346 -0.9481 -0.9481 1.4006 1.4006 2.2562 2.2562 2.2768 2.2768 2.7557 2.7557 2.9643 2.9643 3.0460 3.0460 4.0007 4.0007 4.0426 4.0426 6.1694 6.1694 6.2629 6.2629 6.4427 6.4427 6.4747 6.4747 6.5070 6.5070 6.6114 6.6114 6.7307 6.7307 6.7853 6.7853 7.0013 7.0013 7.0050 7.0050 9.1031 9.1031 9.1631 9.1631 11.4853 11.4853 11.9596 11.9596 13.7472 13.7472 k = 0.0603 0.0348-0.0000 ( 2679 PWs) bands (ev): -12.0586 -12.0586 -11.7894 -11.7894 -10.2477 -10.2477 -9.7564 -9.7564 -2.1240 -2.1240 -0.9396 -0.9396 1.3832 1.3832 2.2466 2.2466 2.2750 2.2750 2.7349 2.7349 2.9274 2.9274 3.0369 3.0369 4.0059 4.0059 4.0526 4.0526 6.1082 6.1082 6.2253 6.2253 6.4415 6.4415 6.4780 6.4780 6.5098 6.5098 6.6136 6.6136 6.7606 6.7606 6.8176 6.8176 7.0024 7.0024 7.0074 7.0074 9.0899 9.0899 9.1559 9.1559 11.5248 11.5248 12.0073 12.0073 13.6970 13.6970 k = 0.0690 0.0398-0.0000 ( 2687 PWs) bands (ev): -12.0519 -12.0519 -11.7844 -11.7844 -10.2417 -10.2417 -9.7538 -9.7538 -2.1119 -2.1119 -0.9299 -0.9299 1.3635 1.3635 2.2353 2.2353 2.2730 2.2730 2.7117 2.7117 2.8856 2.8856 3.0266 3.0266 4.0112 4.0112 4.0639 4.0639 6.0446 6.0446 6.1873 6.1873 6.4395 6.4395 6.4815 6.4815 6.5130 6.5130 6.6161 6.6161 6.7896 6.7896 6.8480 6.8480 7.0036 7.0036 7.0110 7.0110 9.0745 9.0745 9.1482 9.1482 11.5699 11.5699 12.0612 12.0612 13.6408 13.6408 k = 0.0776 0.0448-0.0000 ( 2687 PWs) bands (ev): -12.0443 -12.0443 -11.7787 -11.7787 -10.2349 -10.2349 -9.7509 -9.7509 -2.0981 -2.0981 -0.9190 -0.9190 1.3417 1.3417 2.2221 2.2221 2.2707 2.2707 2.6863 2.6863 2.8392 2.8392 3.0151 3.0151 4.0168 4.0168 4.0763 4.0763 5.9790 5.9790 6.1491 6.1491 6.4368 6.4368 6.4851 6.4851 6.5166 6.5166 6.6191 6.6191 6.8174 6.8174 6.8764 6.8764 7.0053 7.0053 7.0162 7.0162 9.0571 9.0571 9.1403 9.1403 11.6203 11.6204 12.1208 12.1208 13.5795 13.5795 k = 0.0862 0.0498-0.0000 ( 2683 PWs) bands (ev): -12.0359 -12.0359 -11.7724 -11.7724 -10.2275 -10.2275 -9.7477 -9.7477 -2.0828 -2.0828 -0.9067 -0.9067 1.3178 1.3178 2.2071 2.2071 2.2683 2.2683 2.6590 2.6590 2.7886 2.7886 3.0025 3.0025 4.0227 4.0227 4.0894 4.0894 5.9116 5.9116 6.1109 6.1109 6.4333 6.4333 6.4886 6.4886 6.5207 6.5207 6.6227 6.6227 6.8436 6.8436 6.9025 6.9025 7.0074 7.0074 7.0234 7.0234 9.0380 9.0380 9.1323 9.1323 11.6758 11.6758 12.1855 12.1855 13.5139 13.5139 k = 0.0948 0.0547-0.0000 ( 2677 PWs) bands (ev): -12.0266 -12.0266 -11.7655 -11.7655 -10.2192 -10.2192 -9.7442 -9.7442 -2.0660 -2.0660 -0.8932 -0.8932 1.2920 1.2920 2.1901 2.1901 2.2655 2.2655 2.6298 2.6298 2.7340 2.7340 2.9888 2.9888 4.0290 4.0290 4.1030 4.1030 5.8425 5.8425 6.0728 6.0728 6.4289 6.4289 6.4919 6.4919 6.5252 6.5252 6.6270 6.6270 6.8679 6.8679 6.9262 6.9262 7.0104 7.0104 7.0327 7.0327 9.0174 9.0174 9.1241 9.1241 11.7361 11.7361 12.2544 12.2544 13.4449 13.4449 k = 0.1034 0.0597-0.0000 ( 2677 PWs) bands (ev): -12.0165 -12.0165 -11.7580 -11.7580 -10.2103 -10.2103 -9.7404 -9.7404 -2.0477 -2.0477 -0.8784 -0.8784 1.2645 1.2645 2.1712 2.1712 2.2625 2.2625 2.5991 2.5991 2.6758 2.6758 2.9740 2.9740 4.0356 4.0356 4.1167 4.1167 5.7718 5.7718 6.0348 6.0348 6.4239 6.4239 6.4948 6.4948 6.5302 6.5302 6.6320 6.6320 6.8902 6.8902 6.9470 6.9470 7.0148 7.0148 7.0441 7.0441 8.9956 8.9956 9.1158 9.1158 11.8009 11.8009 12.3266 12.3266 13.3737 13.3737 k = 0.1121 0.0647-0.0000 ( 2669 PWs) bands (ev): -12.0057 -12.0057 -11.7500 -11.7500 -10.2007 -10.2007 -9.7363 -9.7363 -2.0279 -2.0279 -0.8624 -0.8624 1.2353 1.2353 2.1502 2.1502 2.2593 2.2593 2.5670 2.5670 2.6145 2.6145 2.9582 2.9582 4.0425 4.0425 4.1303 4.1303 5.6996 5.6996 5.9971 5.9971 6.4181 6.4181 6.4972 6.4972 6.5356 6.5356 6.6379 6.6379 6.9104 6.9104 6.9645 6.9645 7.0215 7.0215 7.0574 7.0574 8.9729 8.9729 9.1074 9.1074 11.8699 11.8699 12.4004 12.4004 13.3019 13.3019 k = 0.1207 0.0697-0.0000 ( 2665 PWs) bands (ev): -11.9941 -11.9941 -11.7414 -11.7414 -10.1905 -10.1905 -9.7320 -9.7320 -2.0067 -2.0067 -0.8452 -0.8452 1.2046 1.2046 2.1273 2.1273 2.2558 2.2558 2.5335 2.5335 2.5506 2.5506 2.9416 2.9416 4.0498 4.0498 4.1437 4.1437 5.6263 5.6263 5.9597 5.9597 6.4118 6.4118 6.4989 6.4989 6.5416 6.5416 6.6445 6.6445 6.9288 6.9288 6.9778 6.9778 7.0315 7.0315 7.0720 7.0720 8.9494 8.9494 9.0989 9.0989 11.9425 11.9425 12.4734 12.4734 13.2319 13.2319 k = 0.1293 0.0747-0.0000 ( 2673 PWs) bands (ev): -11.9818 -11.9818 -11.7322 -11.7322 -10.1796 -10.1796 -9.7274 -9.7274 -1.9841 -1.9841 -0.8267 -0.8267 1.1725 1.1725 2.1022 2.1022 2.2521 2.2521 2.4830 2.4830 2.4999 2.4999 2.9240 2.9240 4.0573 4.0573 4.1564 4.1564 5.5517 5.5517 5.9227 5.9227 6.4047 6.4047 6.4998 6.4998 6.5481 6.5481 6.6516 6.6516 6.9454 6.9454 6.9872 6.9872 7.0448 7.0448 7.0874 7.0874 8.9252 8.9252 9.0903 9.0903 12.0185 12.0185 12.5412 12.5412 13.1682 13.1682 k = 0.1379 0.0796-0.0000 ( 2665 PWs) bands (ev): -11.9688 -11.9688 -11.7226 -11.7226 -10.1680 -10.1680 -9.7225 -9.7225 -1.9601 -1.9601 -0.8071 -0.8071 1.1392 1.1392 2.0751 2.0751 2.2482 2.2482 2.4145 2.4145 2.4646 2.4646 2.9058 2.9058 4.0653 4.0653 4.1685 4.1685 5.4763 5.4763 5.8862 5.8862 6.3974 6.3974 6.5000 6.5000 6.5552 6.5552 6.6594 6.6594 6.9608 6.9608 6.9942 6.9942 7.0606 7.0606 7.1033 7.1033 8.9011 8.9011 9.0819 9.0819 12.0973 12.0973 12.5959 12.5959 13.1188 13.1188 k = 0.1466 0.0846-0.0000 ( 2663 PWs) bands (ev): -11.9550 -11.9550 -11.7125 -11.7125 -10.1559 -10.1559 -9.7175 -9.7175 -1.9348 -1.9348 -0.7862 -0.7862 1.1047 1.1047 2.0459 2.0459 2.2441 2.2441 2.3440 2.3440 2.4287 2.4287 2.8868 2.8868 4.0735 4.0735 4.1796 4.1796 5.4001 5.4001 5.8502 5.8502 6.3894 6.3894 6.4994 6.4994 6.5628 6.5628 6.6677 6.6677 6.9746 6.9746 7.0005 7.0005 7.0772 7.0772 7.1193 7.1193 8.8769 8.8769 9.0735 9.0735 12.1781 12.1781 12.6250 12.6250 13.0962 13.0962 k = 0.1552 0.0896-0.0000 ( 2663 PWs) bands (ev): -11.9407 -11.9407 -11.7019 -11.7019 -10.1432 -10.1432 -9.7122 -9.7122 -1.9081 -1.9081 -0.7642 -0.7642 1.0692 1.0692 2.0146 2.0146 2.2398 2.2398 2.2723 2.2723 2.3923 2.3923 2.8671 2.8671 4.0819 4.0819 4.1896 4.1896 5.3234 5.3234 5.8147 5.8147 6.3810 6.3810 6.4983 6.4983 6.5708 6.5708 6.6762 6.6762 6.9858 6.9858 7.0083 7.0083 7.0939 7.0939 7.1352 7.1352 8.8529 8.8529 9.0653 9.0653 12.2594 12.2594 12.6186 12.6186 13.1105 13.1105 k = 0.1638 0.0946-0.0000 ( 2651 PWs) bands (ev): -11.9257 -11.9257 -11.6909 -11.6909 -10.1300 -10.1300 -9.7067 -9.7067 -1.8803 -1.8803 -0.7411 -0.7411 1.0327 1.0327 1.9811 1.9811 2.1997 2.1997 2.2354 2.2354 2.3554 2.3554 2.8470 2.8470 4.0907 4.0907 4.1984 4.1984 5.2465 5.2465 5.7800 5.7800 6.3721 6.3721 6.4967 6.4967 6.5795 6.5795 6.6852 6.6852 6.9933 6.9933 7.0194 7.0194 7.1102 7.1102 7.1511 7.1511 8.8293 8.8293 9.0575 9.0575 12.3375 12.3375 12.5831 12.5831 13.1579 13.1579 k = 0.1724 0.0995-0.0000 ( 2649 PWs) bands (ev): -11.9101 -11.9101 -11.6794 -11.6794 -10.1163 -10.1163 -9.7011 -9.7011 -1.8512 -1.8512 -0.7168 -0.7168 0.9954 0.9954 1.9452 1.9452 2.1269 2.1269 2.2307 2.2307 2.3181 2.3181 2.8263 2.8263 4.0996 4.0996 4.2055 4.2055 5.1695 5.1695 5.7459 5.7459 6.3629 6.3629 6.4945 6.4945 6.5883 6.5883 6.6944 6.6944 6.9980 6.9980 7.0327 7.0327 7.1254 7.1254 7.1671 7.1671 8.8062 8.8062 9.0500 9.0500 12.3953 12.3953 12.5467 12.5467 13.2248 13.2248 k = 0.1810 0.1045-0.0000 ( 2657 PWs) bands (ev): -11.8941 -11.8941 -11.6677 -11.6677 -10.1022 -10.1022 -9.6953 -9.6953 -1.8211 -1.8211 -0.6914 -0.6914 0.9573 0.9573 1.9064 1.9064 2.0547 2.0547 2.2257 2.2257 2.2805 2.2805 2.8052 2.8052 4.1086 4.1086 4.2109 4.2109 5.0928 5.0928 5.7126 5.7126 6.3533 6.3533 6.4919 6.4919 6.5974 6.5974 6.7036 6.7036 7.0013 7.0013 7.0468 7.0468 7.1395 7.1395 7.1836 7.1836 8.7839 8.7839 9.0428 9.0428 12.3806 12.3806 12.5707 12.5707 13.2978 13.2978 k = 0.1897 0.1095-0.0000 ( 2659 PWs) bands (ev): -11.8775 -11.8775 -11.6556 -11.6556 -10.0876 -10.0876 -9.6894 -9.6894 -1.7898 -1.7898 -0.6648 -0.6648 0.9184 0.9184 1.8638 1.8638 1.9845 1.9845 2.2207 2.2207 2.2426 2.2426 2.7837 2.7837 4.1178 4.1178 4.2142 4.2142 5.0167 5.0167 5.6801 5.6801 6.3434 6.3434 6.4890 6.4890 6.6067 6.6067 6.7130 6.7130 7.0040 7.0040 7.0608 7.0608 7.1522 7.1522 7.2009 7.2009 8.7624 8.7624 9.0361 9.0361 12.3115 12.3115 12.6417 12.6417 13.3641 13.3641 k = 0.1983 0.1145-0.0000 ( 2661 PWs) bands (ev): -11.8604 -11.8604 -11.6432 -11.6432 -10.0726 -10.0726 -9.6834 -9.6834 -1.7575 -1.7575 -0.6372 -0.6372 0.8789 0.8789 1.8159 1.8159 1.9184 1.9184 2.2044 2.2044 2.2158 2.2158 2.7619 2.7619 4.1272 4.1272 4.2149 4.2149 4.9420 4.9420 5.6486 5.6486 6.3331 6.3331 6.4858 6.4858 6.6163 6.6163 6.7225 6.7225 7.0065 7.0065 7.0739 7.0739 7.1634 7.1634 7.2195 7.2195 8.7419 8.7419 9.0300 9.0300 12.2275 12.2275 12.7214 12.7214 13.3452 13.3452 k = 0.2069 0.1195-0.0000 ( 2659 PWs) bands (ev): -11.8429 -11.8429 -11.6305 -11.6305 -10.0572 -10.0572 -9.6773 -9.6773 -1.7243 -1.7243 -0.6085 -0.6085 0.8387 0.8387 1.7607 1.7607 1.8585 1.8585 2.1664 2.1664 2.2106 2.2106 2.7400 2.7400 4.1364 4.1364 4.2129 4.2129 4.8691 4.8691 5.6181 5.6181 6.3226 6.3226 6.4823 6.4823 6.6262 6.6262 6.7321 6.7321 7.0088 7.0088 7.0857 7.0857 7.1731 7.1731 7.2397 7.2397 8.7225 8.7225 9.0245 9.0245 12.1382 12.1382 12.7997 12.7997 13.3063 13.3063 k = 0.2155 0.1244-0.0000 ( 2663 PWs) bands (ev): -11.8251 -11.8251 -11.6176 -11.6176 -10.0416 -10.0416 -9.6711 -9.6711 -1.6901 -1.6901 -0.5788 -0.5788 0.7981 0.7981 1.6982 1.6982 1.8052 1.8052 2.1282 2.1282 2.2053 2.2053 2.7178 2.7178 4.1455 4.1455 4.2075 4.2075 4.7987 4.7987 5.5885 5.5885 6.3118 6.3118 6.4785 6.4785 6.6363 6.6363 6.7417 6.7417 7.0110 7.0110 7.0957 7.0957 7.1812 7.1812 7.2620 7.2620 8.7042 8.7042 9.0195 9.0195 12.0467 12.0467 12.8710 12.8710 13.2670 13.2670 k = 0.2241 0.1294-0.0000 ( 2663 PWs) bands (ev): -11.8069 -11.8069 -11.6045 -11.6045 -10.0256 -10.0256 -9.6649 -9.6649 -1.6551 -1.6551 -0.5481 -0.5481 0.7569 0.7569 1.6308 1.6308 1.7568 1.7568 2.0900 2.0900 2.1999 2.1999 2.6956 2.6956 4.1539 4.1539 4.1982 4.1982 4.7319 4.7319 5.5599 5.5599 6.3009 6.3009 6.4745 6.4745 6.6464 6.6464 6.7512 6.7512 7.0131 7.0131 7.1039 7.1039 7.1878 7.1878 7.2863 7.2863 8.6873 8.6873 9.0153 9.0153 11.9543 11.9543 12.9283 12.9283 13.2275 13.2275 k = 0.2328 0.1344-0.0000 ( 2663 PWs) bands (ev): -11.7884 -11.7884 -11.5913 -11.5913 -10.0094 -10.0094 -9.6586 -9.6586 -1.6194 -1.6194 -0.5163 -0.5163 0.7153 0.7153 1.5610 1.5610 1.7109 1.7109 2.0518 2.0518 2.1944 2.1944 2.6734 2.6734 4.1596 4.1596 4.1860 4.1860 4.6699 4.6699 5.5324 5.5324 6.2897 6.2897 6.4704 6.4704 6.6567 6.6567 6.7607 6.7607 7.0151 7.0151 7.1100 7.1100 7.1930 7.1930 7.3126 7.3126 8.6716 8.6716 9.0117 9.0117 11.8619 11.8619 12.9631 12.9631 13.1878 13.1878 k = 0.2414 0.1394-0.0000 ( 2669 PWs) bands (ev): -11.7697 -11.7697 -11.5780 -11.5780 -9.9930 -9.9930 -9.6524 -9.6524 -1.5829 -1.5829 -0.4836 -0.4836 0.6733 0.6733 1.4904 1.4904 1.6663 1.6663 2.0137 2.0137 2.1889 2.1889 2.6512 2.6512 4.1511 4.1511 4.1813 4.1813 4.6139 4.6139 5.5061 5.5061 6.2784 6.2784 6.4661 6.4661 6.6670 6.6670 6.7701 6.7701 7.0171 7.0171 7.1141 7.1141 7.1967 7.1967 7.3408 7.3408 8.6572 8.6572 9.0089 9.0089 11.7699 11.7699 12.9695 12.9695 13.1480 13.1480 k = 0.2500 0.1443-0.0000 ( 2667 PWs) bands (ev): -11.7508 -11.7508 -11.5645 -11.5645 -9.9764 -9.9764 -9.6461 -9.6461 -1.5459 -1.5459 -0.4499 -0.4499 0.6310 0.6310 1.4203 1.4203 1.6224 1.6224 1.9757 1.9757 2.1833 2.1833 2.6292 2.6292 4.1244 4.1244 4.1871 4.1871 4.5653 4.5653 5.4810 5.4810 6.2669 6.2669 6.4616 6.4616 6.6773 6.6773 6.7794 6.7794 7.0190 7.0190 7.1165 7.1165 7.1992 7.1992 7.3708 7.3708 8.6443 8.6443 9.0066 9.0066 11.6790 11.6790 12.9500 12.9500 13.1083 13.1083 k = 0.2586 0.1493-0.0000 ( 2665 PWs) bands (ev): -11.7317 -11.7317 -11.5511 -11.5511 -9.9597 -9.9597 -9.6400 -9.6400 -1.5083 -1.5083 -0.4152 -0.4152 0.5881 0.5881 1.3511 1.3511 1.5789 1.5789 1.9377 1.9377 2.1778 2.1778 2.6073 2.6073 4.0876 4.0876 4.1950 4.1950 4.5244 4.5244 5.4571 5.4571 6.2553 6.2553 6.4570 6.4570 6.6878 6.6878 6.7886 6.7886 7.0208 7.0208 7.1171 7.1171 7.2005 7.2005 7.4022 7.4022 8.6327 8.6327 9.0052 9.0052 11.5893 11.5893 12.9123 12.9123 13.0687 13.0687 k = 0.2672 0.1543-0.0000 ( 2671 PWs) bands (ev): -11.7125 -11.7125 -11.5377 -11.5377 -9.9429 -9.9429 -9.6339 -9.6339 -1.4703 -1.4703 -0.3796 -0.3796 0.5451 0.5451 1.2834 1.2834 1.5357 1.5357 1.8998 1.8998 2.1723 2.1723 2.5855 2.5855 4.0425 4.0425 4.2032 4.2032 4.4910 4.4910 5.4345 5.4345 6.2437 6.2437 6.4522 6.4522 6.6981 6.6981 6.7977 6.7977 7.0223 7.0223 7.1161 7.1161 7.2007 7.2007 7.4347 7.4347 8.6224 8.6224 9.0043 9.0043 11.5015 11.5015 12.8635 12.8635 13.0293 13.0293 k = 0.2759 0.1593-0.0000 ( 2667 PWs) bands (ev): -11.6933 -11.6933 -11.5243 -11.5243 -9.9261 -9.9261 -9.6278 -9.6278 -1.4319 -1.4319 -0.3432 -0.3432 0.5016 0.5016 1.2175 1.2175 1.4928 1.4928 1.8620 1.8620 2.1668 2.1668 2.5641 2.5641 3.9908 3.9908 4.2112 4.2112 4.4642 4.4642 5.4134 5.4134 6.2320 6.2320 6.4474 6.4474 6.7085 6.7085 6.8066 6.8066 7.0238 7.0238 7.1138 7.1138 7.1998 7.1998 7.4684 7.4684 8.6136 8.6136 9.0041 9.0041 11.4157 11.4157 12.8079 12.8079 12.9903 12.9903 k = 0.2845 0.1642-0.0000 ( 2659 PWs) bands (ev): -11.6741 -11.6741 -11.5110 -11.5110 -9.9093 -9.9093 -9.6219 -9.6219 -1.3932 -1.3932 -0.3059 -0.3059 0.4580 0.4580 1.1538 1.1538 1.4502 1.4502 1.8244 1.8244 2.1614 2.1614 2.5430 2.5430 3.9342 3.9342 4.2190 4.2190 4.4427 4.4427 5.3935 5.3935 6.2204 6.2204 6.4425 6.4425 6.7187 6.7187 6.8153 6.8153 7.0250 7.0250 7.1104 7.1104 7.1981 7.1981 7.5029 7.5029 8.6060 8.6060 9.0045 9.0045 11.3323 11.3323 12.7482 12.7482 12.9517 12.9517 k = 0.2931 0.1692-0.0000 ( 2657 PWs) bands (ev): -11.6550 -11.6550 -11.4978 -11.4978 -9.8926 -9.8926 -9.6162 -9.6162 -1.3544 -1.3544 -0.2677 -0.2677 0.4140 0.4140 1.0926 1.0926 1.4080 1.4080 1.7867 1.7867 2.1560 2.1560 2.5224 2.5224 3.8741 3.8741 4.2265 4.2265 4.4252 4.4252 5.3750 5.3750 6.2087 6.2087 6.4375 6.4375 6.7289 6.7289 6.8239 6.8239 7.0259 7.0259 7.1059 7.1059 7.1954 7.1954 7.5378 7.5378 8.5997 8.5997 9.0055 9.0055 11.2515 11.2515 12.6859 12.6859 12.9137 12.9137 k = 0.3017 0.1742-0.0000 ( 2653 PWs) bands (ev): -11.6360 -11.6360 -11.4849 -11.4849 -9.8759 -9.8759 -9.6106 -9.6106 -1.3155 -1.3155 -0.2287 -0.2287 0.3697 0.3697 1.0339 1.0339 1.3662 1.3662 1.7491 1.7491 2.1507 2.1507 2.5021 2.5021 3.8120 3.8120 4.2335 4.2335 4.4107 4.4107 5.3578 5.3578 6.1970 6.1970 6.4324 6.4324 6.7390 6.7390 6.8323 6.8323 7.0263 7.0263 7.1007 7.1007 7.1919 7.1919 7.5730 7.5730 8.5946 8.5946 9.0070 9.0070 11.1735 11.1735 12.6220 12.6220 12.8763 12.8763 k = 0.3103 0.1792-0.0000 ( 2653 PWs) bands (ev): -11.6172 -11.6172 -11.4722 -11.4722 -9.8594 -9.8594 -9.6053 -9.6053 -1.2766 -1.2766 -0.1890 -0.1890 0.3252 0.3252 0.9781 0.9781 1.3249 1.3249 1.7116 1.7116 2.1456 2.1456 2.4823 2.4823 3.7489 3.7489 4.2401 4.2401 4.3982 4.3982 5.3421 5.3421 6.1854 6.1854 6.4273 6.4273 6.7488 6.7488 6.8403 6.8403 7.0261 7.0261 7.0950 7.0950 7.1879 7.1879 7.6083 7.6083 8.5905 8.5905 9.0090 9.0090 11.0987 11.0987 12.5572 12.5572 12.8397 12.8397 k = 0.3190 0.1842-0.0000 ( 2657 PWs) bands (ev): -11.5986 -11.5986 -11.4598 -11.4598 -9.8430 -9.8430 -9.6001 -9.6001 -1.2379 -1.2379 -0.1485 -0.1485 0.2806 0.2806 0.9252 0.9252 1.2842 1.2842 1.6740 1.6740 2.1405 2.1405 2.4630 2.4630 3.6856 3.6856 4.2461 4.2461 4.3871 4.3871 5.3276 5.3276 6.1739 6.1739 6.4221 6.4221 6.7584 6.7584 6.8482 6.8482 7.0251 7.0251 7.0891 7.0891 7.1832 7.1832 7.6434 7.6434 8.5876 8.5876 9.0114 9.0114 11.0272 11.0272 12.4919 12.4919 12.8039 12.8039 k = 0.3276 0.1891-0.0000 ( 2667 PWs) bands (ev): -11.5803 -11.5803 -11.4477 -11.4477 -9.8269 -9.8269 -9.5952 -9.5952 -1.1993 -1.1993 -0.1074 -0.1074 0.2359 0.2359 0.8756 0.8756 1.2442 1.2442 1.6362 1.6362 2.1355 2.1355 2.4442 2.4442 3.6226 3.6226 4.2516 4.2516 4.3771 4.3771 5.3145 5.3145 6.1624 6.1624 6.4169 6.4169 6.7678 6.7678 6.8558 6.8558 7.0230 7.0230 7.0834 7.0834 7.1781 7.1781 7.6781 7.6781 8.5855 8.5855 9.0141 9.0141 10.9594 10.9594 12.4266 12.4266 12.7690 12.7690 k = 0.3362 0.1941-0.0000 ( 2671 PWs) bands (ev): -11.5623 -11.5623 -11.4360 -11.4360 -9.8110 -9.8110 -9.5906 -9.5906 -1.1611 -1.1611 -0.0655 -0.0655 0.1912 0.1912 0.8293 0.8293 1.2049 1.2049 1.5985 1.5985 2.1308 2.1308 2.4260 2.4260 3.5608 3.5608 4.2566 4.2566 4.3679 4.3679 5.3028 5.3028 6.1512 6.1512 6.4118 6.4118 6.7768 6.7768 6.8631 6.8631 7.0197 7.0197 7.0784 7.0784 7.1726 7.1726 7.7123 7.7123 8.5843 8.5843 9.0171 9.0171 10.8953 10.8953 12.3615 12.3615 12.7351 12.7351 k = 0.3448 0.1991-0.0000 ( 2671 PWs) bands (ev): -11.5447 -11.5447 -11.4247 -11.4247 -9.7954 -9.7954 -9.5863 -9.5863 -1.1232 -1.1232 -0.0229 -0.0229 0.1466 0.1466 0.7864 0.7864 1.1664 1.1664 1.5606 1.5606 2.1263 2.1263 2.4085 2.4085 3.5002 3.5002 4.2611 4.2611 4.3593 4.3593 5.2924 5.2924 6.1402 6.1402 6.4067 6.4067 6.7856 6.7856 6.8700 6.8700 7.0151 7.0151 7.0742 7.0742 7.1670 7.1670 7.7458 7.7458 8.5839 8.5839 9.0204 9.0204 10.8351 10.8351 12.2970 12.2970 12.7024 12.7024 k = 0.3534 0.2041-0.0000 ( 2663 PWs) bands (ev): -11.5275 -11.5275 -11.4139 -11.4139 -9.7802 -9.7802 -9.5823 -9.5823 -1.0858 -1.0858 0.0203 0.0203 0.1022 0.1022 0.7469 0.7469 1.1288 1.1288 1.5225 1.5225 2.1219 2.1219 2.3917 2.3917 3.4415 3.4415 4.2652 4.2652 4.3512 4.3512 5.2833 5.2833 6.1295 6.1295 6.4018 6.4018 6.7941 6.7941 6.8766 6.8766 7.0093 7.0093 7.0711 7.0711 7.1613 7.1613 7.7783 7.7783 8.5843 8.5843 9.0239 9.0239 10.7791 10.7791 12.2333 12.2333 12.6709 12.6709 k = 0.3621 0.2090-0.0000 ( 2663 PWs) bands (ev): -11.5109 -11.5109 -11.4036 -11.4036 -9.7653 -9.7653 -9.5786 -9.5786 -1.0490 -1.0490 0.0582 0.0582 0.0640 0.0640 0.7110 0.7110 1.0921 1.0921 1.4842 1.4842 2.1178 2.1178 2.3755 2.3755 3.3847 3.3847 4.2687 4.2687 4.3435 4.3435 5.2753 5.2753 6.1190 6.1190 6.3969 6.3969 6.8022 6.8022 6.8826 6.8826 7.0024 7.0024 7.0687 7.0687 7.1555 7.1555 7.8096 7.8096 8.5851 8.5851 9.0275 9.0275 10.7273 10.7273 12.1707 12.1707 12.6407 12.6407 k = 0.3707 0.2140-0.0000 ( 2665 PWs) bands (ev): -11.4948 -11.4948 -11.3938 -11.3938 -9.7508 -9.7508 -9.5753 -9.5753 -1.0128 -1.0128 0.0146 0.0146 0.1083 0.1083 0.6785 0.6785 1.0564 1.0564 1.4456 1.4456 2.1139 2.1139 2.3601 2.3601 3.3302 3.3302 4.2717 4.2717 4.3362 4.3362 5.2686 5.2686 6.1089 6.1089 6.3922 6.3922 6.8098 6.8098 6.8882 6.8882 6.9947 6.9947 7.0670 7.0670 7.1498 7.1498 7.8395 7.8395 8.5865 8.5865 9.0311 9.0311 10.6798 10.6798 12.1094 12.1094 12.6118 12.6118 k = 0.3793 0.2190-0.0000 ( 2655 PWs) bands (ev): -11.4793 -11.4793 -11.3847 -11.3847 -9.7368 -9.7368 -9.5724 -9.5724 -0.9773 -0.9773 -0.0283 -0.0283 0.1532 0.1532 0.6494 0.6494 1.0218 1.0218 1.4066 1.4066 2.1103 2.1103 2.3454 2.3454 3.2783 3.2783 4.2742 4.2742 4.3293 4.3293 5.2629 5.2629 6.0991 6.0991 6.3877 6.3877 6.8171 6.8171 6.8931 6.8931 6.9869 6.9869 7.0659 7.0659 7.1444 7.1444 7.8680 7.8680 8.5884 8.5884 9.0348 9.0348 10.6367 10.6367 12.0497 12.0497 12.5844 12.5844 k = 0.3879 0.2240-0.0000 ( 2653 PWs) bands (ev): -11.4644 -11.4644 -11.3761 -11.3761 -9.7233 -9.7233 -9.5699 -9.5699 -0.9425 -0.9425 -0.0705 -0.0705 0.1984 0.1984 0.6239 0.6239 0.9883 0.9883 1.3673 1.3673 2.1069 2.1069 2.3316 2.3316 3.2291 3.2291 4.2763 4.2763 4.3226 4.3226 5.2581 5.2581 6.0898 6.0898 6.3833 6.3833 6.8239 6.8239 6.8973 6.8973 6.9792 6.9792 7.0650 7.0650 7.1390 7.1390 7.8948 7.8948 8.5904 8.5904 9.0384 9.0384 10.5981 10.5981 11.9919 11.9919 12.5585 12.5585 k = 0.3966 0.2289-0.0000 ( 2657 PWs) bands (ev): -11.4503 -11.4503 -11.3682 -11.3682 -9.7104 -9.7104 -9.5679 -9.5679 -0.9086 -0.9086 -0.1118 -0.1118 0.2441 0.2441 0.6016 0.6016 0.9559 0.9559 1.3274 1.3274 2.1037 2.1037 2.3187 2.3187 3.1828 3.1828 4.2780 4.2780 4.3164 4.3164 5.2542 5.2542 6.0809 6.0809 6.3790 6.3790 6.8302 6.8302 6.9003 6.9003 6.9720 6.9720 7.0642 7.0642 7.1340 7.1340 7.9198 7.9198 8.5927 8.5927 9.0420 9.0420 10.5637 10.5637 11.9362 11.9362 12.5342 12.5342 k = 0.4052 0.2339-0.0000 ( 2661 PWs) bands (ev): -11.4369 -11.4369 -11.3611 -11.3611 -9.6980 -9.6980 -9.5663 -9.5663 -0.8755 -0.8755 -0.1522 -0.1522 0.2901 0.2901 0.5826 0.5826 0.9249 0.9249 1.2871 1.2871 2.1008 2.1008 2.3066 2.3066 3.1396 3.1396 4.2793 4.2793 4.3105 4.3105 5.2511 5.2511 6.0725 6.0725 6.3750 6.3750 6.8360 6.8360 6.9022 6.9022 6.9660 6.9660 7.0635 7.0635 7.1293 7.1293 7.9428 7.9428 8.5951 8.5951 9.0454 9.0454 10.5337 10.5337 11.8829 11.8829 12.5115 12.5115 k = 0.4138 0.2389-0.0000 ( 2661 PWs) bands (ev): -11.4242 -11.4242 -11.3546 -11.3546 -9.6861 -9.6861 -9.5651 -9.5651 -0.8432 -0.8432 -0.1914 -0.1914 0.3365 0.3365 0.5667 0.5667 0.8953 0.8953 1.2463 1.2463 2.0983 2.0983 2.2953 2.2953 3.0997 3.0997 4.2804 4.2804 4.3050 4.3050 5.2487 5.2487 6.0647 6.0647 6.3712 6.3712 6.8412 6.8412 6.9025 6.9025 6.9614 6.9614 7.0628 7.0628 7.1250 7.1250 7.9639 7.9639 8.5976 8.5976 9.0487 9.0487 10.5078 10.5078 11.8323 11.8323 12.4905 12.4905 k = 0.4224 0.2439-0.0000 ( 2665 PWs) bands (ev): -11.4124 -11.4124 -11.3489 -11.3489 -9.6750 -9.6750 -9.5644 -9.5644 -0.8117 -0.8117 -0.2296 -0.2296 0.3831 0.3831 0.5539 0.5539 0.8671 0.8671 1.2049 1.2049 2.0960 2.0960 2.2851 2.2851 3.0630 3.0630 4.2812 4.2812 4.2999 4.2999 5.2469 5.2469 6.0575 6.0575 6.3678 6.3678 6.8460 6.8460 6.9013 6.9013 6.9584 6.9584 7.0620 7.0620 7.1212 7.1212 7.9830 7.9830 8.6001 8.6001 9.0518 9.0518 10.4858 10.4858 11.7849 11.7849 12.4714 12.4714 k = 0.4310 0.2489-0.0000 ( 2665 PWs) bands (ev): -11.4015 -11.4015 -11.3440 -11.3440 -9.6645 -9.6645 -9.5641 -9.5641 -0.7810 -0.7810 -0.2664 -0.2664 0.4299 0.4299 0.5438 0.5438 0.8407 0.8407 1.1630 1.1630 2.0939 2.0939 2.2758 2.2758 3.0300 3.0300 4.2817 4.2817 4.2953 4.2953 5.2456 5.2456 6.0508 6.0508 6.3646 6.3646 6.8501 6.8501 6.8989 6.8989 6.9570 6.9570 7.0612 7.0612 7.1179 7.1179 7.9999 7.9999 8.6025 8.6025 9.0546 9.0546 10.4675 10.4675 11.7410 11.7410 12.4542 12.4542 k = 0.4397 0.2538-0.0000 ( 2667 PWs) bands (ev): -11.3915 -11.3915 -11.3399 -11.3399 -9.6547 -9.6547 -9.5643 -9.5643 -0.7512 -0.7512 -0.3020 -0.3020 0.4769 0.4769 0.5364 0.5364 0.8161 0.8161 1.1204 1.1204 2.0922 2.0922 2.2675 2.2675 3.0005 3.0005 4.2821 4.2821 4.2913 4.2913 5.2447 5.2447 6.0448 6.0448 6.3617 6.3617 6.8537 6.8537 6.8956 6.8956 6.9567 6.9567 7.0604 7.0604 7.1150 7.1150 8.0148 8.0148 8.6047 8.6047 9.0572 9.0572 10.4526 10.4526 11.7010 11.7010 12.4388 12.4388 k = 0.4483 0.2588-0.0000 ( 2668 PWs) bands (ev): -11.3825 -11.3825 -11.3365 -11.3365 -9.6458 -9.6458 -9.5649 -9.5649 -0.7221 -0.7221 -0.3362 -0.3362 0.5238 0.5238 0.5314 0.5314 0.7936 0.7936 1.0773 1.0773 2.0907 2.0907 2.2603 2.2603 2.9748 2.9748 4.2823 4.2823 4.2876 4.2876 5.2441 5.2441 6.0396 6.0396 6.3592 6.3592 6.8566 6.8566 6.8922 6.8922 6.9572 6.9572 7.0595 7.0595 7.1127 7.1127 8.0276 8.0276 8.6068 8.6068 9.0595 9.0595 10.4407 10.4407 11.6652 11.6652 12.4254 12.4254 k = 0.4569 0.2638-0.0000 ( 2668 PWs) bands (ev): -11.3745 -11.3745 -11.3339 -11.3339 -9.6377 -9.6377 -9.5659 -9.5659 -0.6939 -0.6939 -0.3689 -0.3689 0.5280 0.5280 0.5710 0.5710 0.7735 0.7735 1.0337 1.0337 2.0894 2.0894 2.2541 2.2541 2.9530 2.9530 4.2824 4.2824 4.2845 4.2845 5.2437 5.2437 6.0351 6.0351 6.3570 6.3570 6.8588 6.8588 6.8889 6.8889 6.9581 6.9581 7.0586 7.0586 7.1108 7.1108 8.0384 8.0384 8.6086 8.6086 9.0615 9.0615 10.4315 10.4315 11.6341 11.6341 12.4140 12.4140 k = 0.4655 0.2688-0.0000 ( 2660 PWs) bands (ev): -11.3677 -11.3677 -11.3321 -11.3321 -9.6306 -9.6306 -9.5671 -9.5671 -0.6667 -0.6667 -0.3999 -0.3999 0.5265 0.5265 0.6180 0.6180 0.7562 0.7562 0.9897 0.9897 2.0885 2.0885 2.2490 2.2490 2.9350 2.9350 4.2818 4.2818 4.2826 4.2826 5.2436 5.2436 6.0314 6.0314 6.3554 6.3554 6.8604 6.8604 6.8862 6.8862 6.9591 6.9591 7.0579 7.0579 7.1093 7.1093 8.0471 8.0471 8.6102 8.6102 9.0631 9.0631 10.4246 10.4246 11.6080 11.6080 12.4047 12.4047 k = 0.4741 0.2737-0.0000 ( 2656 PWs) bands (ev): -11.3621 -11.3621 -11.3309 -11.3309 -9.6247 -9.6247 -9.5684 -9.5684 -0.6408 -0.6408 -0.4288 -0.4288 0.5260 0.5260 0.6647 0.6647 0.7420 0.7420 0.9452 0.9452 2.0877 2.0877 2.2450 2.2450 2.9210 2.9210 4.2799 4.2799 4.2825 4.2825 5.2435 5.2435 6.0285 6.0285 6.3541 6.3541 6.8613 6.8613 6.8842 6.8842 6.9599 6.9599 7.0573 7.0573 7.1083 7.1083 8.0539 8.0539 8.6114 8.6114 9.0642 9.0642 10.4197 10.4197 11.5873 11.5873 12.3973 12.3973 k = 0.4828 0.2787-0.0000 ( 2648 PWs) bands (ev): -11.3578 -11.3578 -11.3303 -11.3303 -9.6201 -9.6201 -9.5697 -9.5697 -0.6174 -0.6174 -0.4543 -0.4543 0.5262 0.5262 0.7104 0.7104 0.7318 0.7318 0.9007 0.9007 2.0873 2.0873 2.2421 2.2421 2.9110 2.9110 4.2784 4.2784 4.2826 4.2826 5.2435 5.2435 6.0264 6.0264 6.3531 6.3531 6.8618 6.8618 6.8830 6.8830 6.9607 6.9607 7.0568 7.0568 7.1075 7.1075 8.0587 8.0587 8.6124 8.6124 9.0653 9.0653 10.4164 10.4164 11.5722 11.5722 12.3921 12.3921 k = 0.4914 0.2837-0.0000 ( 2644 PWs) bands (ev): -11.3551 -11.3551 -11.3300 -11.3300 -9.6172 -9.6172 -9.5706 -9.5706 -0.5992 -0.5992 -0.4738 -0.4738 0.5265 0.5265 0.7242 0.7242 0.7561 0.7561 0.8571 0.8571 2.0870 2.0870 2.2404 2.2404 2.9050 2.9050 4.2776 4.2776 4.2826 4.2826 5.2435 5.2435 6.0252 6.0252 6.3525 6.3525 6.8619 6.8619 6.8823 6.8823 6.9612 6.9612 7.0565 7.0565 7.1071 7.1071 8.0616 8.0616 8.6129 8.6129 9.0659 9.0659 10.4145 10.4145 11.5631 11.5631 12.3889 12.3889 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -11.3542 -11.3542 -11.3299 -11.3299 -9.6162 -9.6162 -9.5710 -9.5710 -0.5918 -0.5918 -0.4817 -0.4817 0.5267 0.5267 0.7222 0.7222 0.7862 0.7862 0.8271 0.8271 2.0869 2.0869 2.2398 2.2398 2.9030 2.9030 4.2773 4.2773 4.2826 4.2826 5.2435 5.2435 6.0247 6.0247 6.3523 6.3523 6.8619 6.8619 6.8821 6.8821 6.9613 6.9613 7.0564 7.0564 7.1070 7.1070 8.0626 8.0626 8.6131 8.6131 9.0661 9.0661 10.4139 10.4139 11.5601 11.5601 12.3878 12.3878 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -11.3542 -11.3542 -11.3299 -11.3299 -9.6162 -9.6162 -9.5710 -9.5710 -0.5918 -0.5918 -0.4817 -0.4817 0.5267 0.5267 0.7222 0.7222 0.7862 0.7862 0.8271 0.8271 2.0869 2.0869 2.2398 2.2398 2.9030 2.9030 4.2773 4.2773 4.2826 4.2826 5.2435 5.2435 6.0247 6.0247 6.3523 6.3523 6.8619 6.8619 6.8821 6.8821 6.9613 6.9613 7.0564 7.0564 7.1070 7.1070 8.0626 8.0626 8.6131 8.6131 9.0661 9.0661 10.4139 10.4139 11.5601 11.5601 12.3878 12.3878 k = 0.4951 0.2972-0.0000 ( 2640 PWs) bands (ev): -11.3541 -11.3541 -11.3298 -11.3298 -9.6161 -9.6161 -9.5709 -9.5709 -0.5910 -0.5910 -0.4813 -0.4813 0.5269 0.5269 0.7224 0.7224 0.7864 0.7864 0.8277 0.8277 2.0854 2.0854 2.2373 2.2373 2.9034 2.9034 4.2486 4.2486 4.3114 4.3114 5.2391 5.2391 6.0259 6.0259 6.3544 6.3544 6.8618 6.8618 6.8823 6.8823 6.9611 6.9611 7.0565 7.0565 7.1068 7.1068 8.0622 8.0622 8.6132 8.6132 9.0652 9.0652 10.4142 10.4142 11.5612 11.5612 12.3867 12.3867 k = 0.4902 0.3057-0.0000 ( 2644 PWs) bands (ev): -11.3536 -11.3536 -11.3293 -11.3293 -9.6158 -9.6158 -9.5706 -9.5706 -0.5887 -0.5887 -0.4799 -0.4799 0.5273 0.5273 0.7230 0.7230 0.7870 0.7870 0.8293 0.8293 2.0810 2.0810 2.2295 2.2295 2.9045 2.9045 4.2176 4.2176 4.3425 4.3425 5.2259 5.2259 6.0289 6.0289 6.3606 6.3606 6.8615 6.8615 6.8825 6.8825 6.9606 6.9606 7.0567 7.0567 7.1064 7.1064 8.0607 8.0607 8.6133 8.6133 9.0621 9.0621 10.4149 10.4149 11.5646 11.5646 12.3833 12.3833 k = 0.4853 0.3141-0.0000 ( 2648 PWs) bands (ev): -11.3529 -11.3529 -11.3287 -11.3287 -9.6152 -9.6152 -9.5702 -9.5702 -0.5848 -0.5848 -0.4777 -0.4777 0.5280 0.5280 0.7241 0.7241 0.7881 0.7881 0.8321 0.8321 2.0737 2.0737 2.2168 2.2168 2.9063 2.9063 4.1867 4.1867 4.3736 4.3736 5.2043 5.2043 6.0338 6.0338 6.3706 6.3706 6.8610 6.8610 6.8830 6.8830 6.9595 6.9595 7.0571 7.0571 7.1057 7.1057 8.0582 8.0582 8.6136 8.6136 9.0569 9.0569 10.4160 10.4160 11.5702 11.5702 12.3778 12.3778 k = 0.4804 0.3226-0.0000 ( 2652 PWs) bands (ev): -11.3519 -11.3519 -11.3277 -11.3277 -9.6145 -9.6145 -9.5695 -9.5695 -0.5794 -0.5794 -0.4745 -0.4745 0.5290 0.5290 0.7256 0.7256 0.7897 0.7897 0.8359 0.8359 2.0637 2.0637 2.1991 2.1991 2.9090 2.9090 4.1561 4.1561 4.4046 4.4046 5.1750 5.1750 6.0406 6.0406 6.3837 6.3837 6.8603 6.8603 6.8836 6.8836 6.9582 6.9582 7.0576 7.0576 7.1049 7.1049 8.0547 8.0547 8.6140 8.6140 9.0498 9.0498 10.4174 10.4174 11.5781 11.5781 12.3703 12.3703 k = 0.4755 0.3311-0.0000 ( 2650 PWs) bands (ev): -11.3506 -11.3506 -11.3264 -11.3264 -9.6136 -9.6136 -9.5687 -9.5687 -0.5724 -0.5724 -0.4705 -0.4705 0.5303 0.5303 0.7276 0.7276 0.7916 0.7916 0.8408 0.8408 2.0509 2.0509 2.1767 2.1767 2.9124 2.9124 4.1258 4.1258 4.4353 4.4353 5.1387 5.1387 6.0494 6.0494 6.3993 6.3993 6.8594 6.8594 6.8846 6.8846 6.9564 6.9564 7.0584 7.0584 7.1040 7.1040 8.0503 8.0503 8.6144 8.6144 9.0408 9.0408 10.4191 10.4191 11.5882 11.5882 12.3610 12.3610 k = 0.4706 0.3396-0.0000 ( 2648 PWs) bands (ev): -11.3490 -11.3490 -11.3249 -11.3249 -9.6124 -9.6124 -9.5677 -9.5677 -0.5639 -0.5639 -0.4655 -0.4655 0.5318 0.5318 0.7300 0.7300 0.7940 0.7940 0.8467 0.8467 2.0354 2.0354 2.1496 2.1496 2.9166 2.9166 4.0959 4.0959 4.4656 4.4656 5.0961 5.0961 6.0599 6.0599 6.4169 6.4169 6.8582 6.8582 6.8857 6.8857 6.9542 6.9542 7.0594 7.0594 7.1032 7.1032 8.0448 8.0448 8.6150 8.6150 9.0301 9.0301 10.4209 10.4209 11.6005 11.6005 12.3501 12.3501 k = 0.4657 0.3481-0.0000 ( 2652 PWs) bands (ev): -11.3472 -11.3472 -11.3232 -11.3232 -9.6111 -9.6111 -9.5666 -9.5666 -0.5540 -0.5540 -0.4598 -0.4598 0.5336 0.5336 0.7329 0.7329 0.7968 0.7968 0.8536 0.8536 2.0172 2.0172 2.1182 2.1182 2.9215 2.9215 4.0665 4.0665 4.4956 4.4956 5.0482 5.0482 6.0720 6.0720 6.4356 6.4356 6.8566 6.8566 6.8870 6.8870 6.9515 6.9515 7.0607 7.0607 7.1025 7.1025 8.0383 8.0383 8.6157 8.6157 9.0177 9.0177 10.4227 10.4227 11.6149 11.6149 12.3379 12.3379 k = 0.4608 0.3566-0.0000 ( 2656 PWs) bands (ev): -11.3451 -11.3451 -11.3212 -11.3212 -9.6096 -9.6096 -9.5653 -9.5653 -0.5426 -0.5426 -0.4532 -0.4532 0.5355 0.5355 0.7363 0.7363 0.8000 0.8000 0.8614 0.8614 1.9964 1.9964 2.0828 2.0828 2.9272 2.9272 4.0377 4.0377 4.5250 4.5250 4.9955 4.9955 6.0856 6.0856 6.4549 6.4549 6.8548 6.8548 6.8885 6.8885 6.9483 6.9483 7.0622 7.0622 7.1020 7.1020 8.0307 8.0307 8.6164 8.6164 9.0038 9.0038 10.4242 10.4242 11.6315 11.6315 12.3249 12.3249 k = 0.4559 0.3651-0.0000 ( 2656 PWs) bands (ev): -11.3427 -11.3427 -11.3189 -11.3189 -9.6079 -9.6079 -9.5639 -9.5639 -0.5297 -0.5297 -0.4457 -0.4457 0.5376 0.5376 0.7402 0.7402 0.8037 0.8037 0.8701 0.8701 1.9733 1.9733 2.0436 2.0436 2.9336 2.9336 4.0094 4.0094 4.5539 4.5539 4.9388 4.9388 6.1007 6.1007 6.4745 6.4745 6.8526 6.8526 6.8901 6.8901 6.9445 6.9445 7.0644 7.0644 7.1018 7.1018 8.0222 8.0222 8.6172 8.6172 8.9886 8.9886 10.4254 10.4254 11.6501 11.6501 12.3112 12.3112 k = 0.4510 0.3736-0.0000 ( 2660 PWs) bands (ev): -11.3402 -11.3402 -11.3165 -11.3165 -9.6060 -9.6060 -9.5624 -9.5624 -0.5155 -0.5155 -0.4375 -0.4375 0.5397 0.5397 0.7446 0.7446 0.8078 0.8078 0.8797 0.8797 1.9478 1.9478 2.0010 2.0010 2.9407 2.9407 3.9818 3.9818 4.5820 4.5820 4.8789 4.8789 6.1170 6.1170 6.4936 6.4936 6.8500 6.8500 6.8917 6.8917 6.9402 6.9402 7.0671 7.0671 7.1020 7.1020 8.0125 8.0125 8.6181 8.6181 8.9722 8.9722 10.4260 10.4260 11.6707 11.6707 12.2973 12.2973 k = 0.4461 0.3821-0.0000 ( 2664 PWs) bands (ev): -11.3374 -11.3374 -11.3139 -11.3139 -9.6039 -9.6039 -9.5607 -9.5607 -0.4999 -0.4999 -0.4285 -0.4285 0.5420 0.5420 0.7495 0.7495 0.8124 0.8124 0.8900 0.8900 1.9202 1.9202 1.9553 1.9553 2.9486 2.9486 3.9548 3.9548 4.6093 4.6093 4.8162 4.8162 6.1345 6.1345 6.5122 6.5122 6.8468 6.8468 6.8934 6.8934 6.9353 6.9353 7.0707 7.0707 7.1025 7.1025 8.0018 8.0018 8.6190 8.6190 8.9548 8.9548 10.4259 10.4259 11.6933 11.6933 12.2834 12.2834 k = 0.4412 0.3906-0.0000 ( 2660 PWs) bands (ev): -11.3344 -11.3344 -11.3111 -11.3111 -9.6017 -9.6017 -9.5590 -9.5590 -0.4830 -0.4830 -0.4188 -0.4188 0.5443 0.5443 0.7550 0.7550 0.8173 0.8173 0.9010 0.9010 1.8905 1.8905 1.9069 1.9069 2.9572 2.9572 3.9287 3.9287 4.6357 4.6357 4.7514 4.7514 6.1533 6.1533 6.5299 6.5299 6.8432 6.8432 6.8951 6.8951 6.9301 6.9301 7.0752 7.0752 7.1034 7.1034 7.9902 7.9902 8.6200 8.6200 8.9367 8.9367 10.4249 10.4249 11.7178 11.7178 12.2701 12.2701 k = 0.4363 0.3991-0.0000 ( 2660 PWs) bands (ev): -11.3312 -11.3312 -11.3082 -11.3082 -9.5994 -9.5994 -9.5571 -9.5571 -0.4649 -0.4649 -0.4084 -0.4084 0.5466 0.5466 0.7611 0.7611 0.8227 0.8227 0.9126 0.9126 1.8551 1.8551 1.8600 1.8600 2.9665 2.9665 3.9033 3.9033 4.6594 4.6594 4.6866 4.6866 6.1729 6.1729 6.5466 6.5466 6.8389 6.8389 6.8965 6.8965 6.9247 6.9247 7.0808 7.0808 7.1046 7.1046 7.9774 7.9774 8.6209 8.6209 8.9179 8.9179 10.4230 10.4230 11.7441 11.7441 12.2575 12.2575 k = 0.4314 0.4075-0.0000 ( 2664 PWs) bands (ev): -11.3279 -11.3279 -11.3051 -11.3051 -9.5969 -9.5969 -9.5553 -9.5553 -0.4456 -0.4456 -0.3973 -0.3973 0.5488 0.5488 0.7678 0.7678 0.8285 0.8285 0.9246 0.9246 1.8030 1.8030 1.8262 1.8262 2.9765 2.9765 3.8788 3.8788 4.6150 4.6150 4.6875 4.6875 6.1933 6.1933 6.5621 6.5621 6.8342 6.8342 6.8971 6.8971 6.9196 6.9196 7.0875 7.0875 7.1059 7.1059 7.9634 7.9634 8.6220 8.6220 8.8987 8.8987 10.4200 10.4200 11.7722 11.7722 12.2460 12.2460 k = 0.4265 0.4160-0.0000 ( 2664 PWs) bands (ev): -11.3244 -11.3244 -11.3020 -11.3020 -9.5943 -9.5943 -9.5533 -9.5533 -0.4252 -0.4252 -0.3855 -0.3855 0.5508 0.5508 0.7752 0.7752 0.8347 0.8347 0.9371 0.9371 1.7486 1.7486 1.7914 1.7914 2.9871 2.9871 3.8552 3.8552 4.5464 4.5464 4.7106 4.7106 6.2145 6.2145 6.5763 6.5763 6.8289 6.8289 6.8960 6.8960 6.9159 6.9159 7.0955 7.0955 7.1075 7.1075 7.9485 7.9485 8.6230 8.6230 8.8793 8.8793 10.4159 10.4159 11.8019 11.8019 12.2359 12.2359 k = 0.4216 0.4245-0.0000 ( 2656 PWs) bands (ev): -11.3207 -11.3207 -11.2987 -11.2987 -9.5915 -9.5915 -9.5514 -9.5514 -0.4039 -0.4039 -0.3731 -0.3731 0.5526 0.5526 0.7832 0.7832 0.8414 0.8414 0.9499 0.9499 1.6931 1.6931 1.7554 1.7554 2.9984 2.9984 3.8326 3.8326 4.4770 4.4770 4.7330 4.7330 6.2364 6.2364 6.5893 6.5893 6.8231 6.8231 6.8921 6.8921 6.9148 6.9148 7.1050 7.1050 7.1091 7.1091 7.9324 7.9324 8.6241 8.6241 8.8598 8.8598 10.4107 10.4107 11.8333 11.8333 12.2273 12.2273 k = 0.4167 0.4330-0.0000 ( 2658 PWs) bands (ev): -11.3170 -11.3170 -11.2955 -11.2955 -9.5887 -9.5887 -9.5494 -9.5494 -0.3816 -0.3816 -0.3602 -0.3602 0.5540 0.5540 0.7919 0.7919 0.8484 0.8484 0.9628 0.9628 1.6368 1.6368 1.7182 1.7182 3.0104 3.0104 3.8110 3.8110 4.4075 4.4075 4.7543 4.7543 6.2588 6.2588 6.6007 6.6007 6.8167 6.8167 6.8859 6.8859 6.9156 6.9156 7.1106 7.1106 7.1158 7.1158 7.9152 7.9152 8.6252 8.6252 8.8405 8.8405 10.4042 10.4042 11.8661 11.8661 12.2205 12.2205 k = 0.4118 0.4415-0.0000 ( 2658 PWs) bands (ev): -11.3132 -11.3132 -11.2922 -11.2922 -9.5858 -9.5858 -9.5475 -9.5475 -0.3588 -0.3588 -0.3465 -0.3465 0.5550 0.5550 0.8013 0.8013 0.8558 0.8558 0.9757 0.9757 1.5802 1.5802 1.6800 1.6800 3.0229 3.0229 3.7903 3.7903 4.3381 4.3381 4.7743 4.7743 6.2816 6.2816 6.6109 6.6109 6.8097 6.8097 6.8785 6.8785 6.9175 6.9175 7.1122 7.1122 7.1280 7.1280 7.8970 7.8970 8.6262 8.6262 8.8216 8.8216 10.3967 10.3967 11.9004 11.9004 12.2156 12.2156 k = 0.4069 0.4500-0.0000 ( 2654 PWs) bands (ev): -11.3094 -11.3094 -11.2889 -11.2889 -9.5828 -9.5828 -9.5456 -9.5456 -0.3368 -0.3368 -0.3310 -0.3310 0.5554 0.5554 0.8115 0.8115 0.8637 0.8637 0.9884 0.9884 1.5237 1.5237 1.6412 1.6412 3.0359 3.0359 3.7707 3.7707 4.2694 4.2694 4.7930 4.7930 6.3048 6.3048 6.6198 6.6198 6.8023 6.8023 6.8704 6.8704 6.9199 6.9199 7.1136 7.1136 7.1416 7.1416 7.8777 7.8777 8.6273 8.6273 8.8032 8.8032 10.3882 10.3882 11.9360 11.9360 12.2127 12.2127 k = 0.4020 0.4585-0.0000 ( 2650 PWs) bands (ev): -11.3055 -11.3055 -11.2856 -11.2856 -9.5798 -9.5798 -9.5438 -9.5438 -0.3201 -0.3201 -0.3092 -0.3092 0.5551 0.5551 0.8224 0.8224 0.8720 0.8720 1.0008 1.0008 1.4679 1.4679 1.6018 1.6018 3.0494 3.0494 3.7522 3.7522 4.2017 4.2017 4.8105 4.8105 6.3282 6.3282 6.6273 6.6273 6.7943 6.7943 6.8620 6.8620 6.9228 6.9228 7.1148 7.1148 7.1567 7.1567 7.8575 7.8575 8.6283 8.6283 8.7854 8.7854 10.3788 10.3788 11.9728 11.9728 12.2119 12.2119 k = 0.3971 0.4670-0.0000 ( 2658 PWs) bands (ev): -11.3016 -11.3016 -11.2825 -11.2825 -9.5767 -9.5767 -9.5421 -9.5421 -0.3052 -0.3052 -0.2850 -0.2850 0.5539 0.5539 0.8341 0.8341 0.8806 0.8806 1.0127 1.0127 1.4130 1.4130 1.5620 1.5620 3.0634 3.0634 3.7348 3.7348 4.1354 4.1354 4.8265 4.8265 6.3518 6.3518 6.6335 6.6335 6.7860 6.7860 6.8534 6.8534 6.9258 6.9258 7.1156 7.1156 7.1730 7.1730 7.8362 7.8362 8.6293 8.6293 8.7684 8.7684 10.3688 10.3688 12.0106 12.0106 12.2132 12.2132 k = 0.3922 0.4755-0.0000 ( 2660 PWs) bands (ev): -11.2978 -11.2978 -11.2794 -11.2794 -9.5736 -9.5736 -9.5405 -9.5405 -0.2903 -0.2903 -0.2604 -0.2604 0.5517 0.5517 0.8466 0.8466 0.8897 0.8897 1.0240 1.0240 1.3599 1.3599 1.5221 1.5221 3.0776 3.0776 3.7185 3.7185 4.0709 4.0709 4.8412 4.8412 6.3755 6.3755 6.6386 6.6386 6.7772 6.7772 6.8448 6.8448 6.9288 6.9288 7.1162 7.1162 7.1909 7.1909 7.8139 7.8139 8.6302 8.6302 8.7524 8.7524 10.3582 10.3582 12.0494 12.0494 12.2166 12.2166 k = 0.3873 0.4840-0.0000 ( 2664 PWs) bands (ev): -11.2940 -11.2940 -11.2765 -11.2765 -9.5705 -9.5705 -9.5391 -9.5391 -0.2753 -0.2753 -0.2360 -0.2360 0.5484 0.5484 0.8599 0.8599 0.8992 0.8992 1.0344 1.0344 1.3089 1.3089 1.4824 1.4824 3.0921 3.0921 3.7035 3.7035 4.0088 4.0088 4.8545 4.8545 6.3992 6.3992 6.6423 6.6423 6.7681 6.7681 6.8362 6.8362 6.9320 6.9320 7.1165 7.1165 7.2099 7.2099 7.7907 7.7907 8.6310 8.6310 8.7374 8.7374 10.3473 10.3473 12.0890 12.0890 12.2221 12.2221 k = 0.3824 0.4924-0.0000 ( 2660 PWs) bands (ev): -11.2903 -11.2903 -11.2737 -11.2737 -9.5674 -9.5674 -9.5378 -9.5378 -0.2601 -0.2601 -0.2119 -0.2119 0.5438 0.5438 0.8741 0.8741 0.9091 0.9091 1.0437 1.0437 1.2606 1.2606 1.4430 1.4430 3.1065 3.1065 3.6897 3.6897 3.9494 3.9494 4.8665 4.8665 6.4229 6.4229 6.6451 6.6451 6.7587 6.7587 6.8279 6.8279 6.9352 6.9352 7.1166 7.1166 7.2303 7.2303 7.7668 7.7668 8.6318 8.6318 8.7236 8.7236 10.3363 10.3363 12.1291 12.1291 12.2297 12.2297 k = 0.3775 0.5009-0.0000 ( 2664 PWs) bands (ev): -11.2866 -11.2866 -11.2712 -11.2712 -9.5643 -9.5643 -9.5367 -9.5367 -0.2448 -0.2448 -0.1886 -0.1886 0.5378 0.5378 0.8890 0.8890 0.9194 0.9194 1.0517 1.0517 1.2157 1.2157 1.4043 1.4043 3.1209 3.1209 3.6770 3.6770 3.8932 3.8932 4.8770 4.8770 6.4463 6.4463 6.6469 6.6469 6.7491 6.7491 6.8198 6.8198 6.9384 6.9384 7.1162 7.1162 7.2517 7.2517 7.7420 7.7420 8.6325 8.6325 8.7111 8.7111 10.3254 10.3254 12.1695 12.1695 12.2394 12.2394 k = 0.3725 0.5094-0.0000 ( 2658 PWs) bands (ev): -11.2831 -11.2831 -11.2689 -11.2689 -9.5612 -9.5612 -9.5359 -9.5359 -0.2295 -0.2295 -0.1667 -0.1667 0.5305 0.5305 0.9047 0.9047 0.9302 0.9302 1.0583 1.0583 1.1747 1.1747 1.3664 1.3664 3.1348 3.1348 3.6656 3.6656 3.8408 3.8408 4.8862 4.8862 6.4696 6.4696 6.6477 6.6477 6.7393 6.7393 6.8122 6.8122 6.9416 6.9416 7.1157 7.1157 7.2743 7.2743 7.7166 7.7166 8.6331 8.6331 8.7000 8.7000 10.3149 10.3149 12.2096 12.2096 12.2514 12.2514 k = 0.3676 0.5179-0.0000 ( 2648 PWs) bands (ev): -11.2798 -11.2798 -11.2669 -11.2669 -9.5582 -9.5582 -9.5353 -9.5353 -0.2142 -0.2142 -0.1465 -0.1465 0.5220 0.5220 0.9211 0.9211 0.9414 0.9414 1.0631 1.0631 1.1381 1.1381 1.3298 1.3298 3.1481 3.1481 3.6556 3.6556 3.7929 3.7929 4.8941 4.8941 6.4924 6.4924 6.6477 6.6477 6.7293 6.7293 6.8050 6.8050 6.9446 6.9446 7.1150 7.1150 7.2979 7.2979 7.6906 7.6906 8.6334 8.6334 8.6904 8.6904 10.3049 10.3049 12.2475 12.2475 12.2671 12.2671 k = 0.3627 0.5264-0.0000 ( 2648 PWs) bands (ev): -11.2767 -11.2767 -11.2652 -11.2652 -9.5553 -9.5553 -9.5349 -9.5349 -0.1990 -0.1990 -0.1287 -0.1287 0.5124 0.5124 0.9381 0.9381 0.9530 0.9530 1.0659 1.0659 1.1062 1.1062 1.2945 1.2945 3.1604 3.1604 3.6466 3.6466 3.7500 3.7500 4.9007 4.9007 6.5146 6.5146 6.6468 6.6468 6.7191 6.7191 6.7984 6.7984 6.9474 6.9474 7.1140 7.1140 7.3223 7.3223 7.6642 7.6642 8.6335 8.6335 8.6823 8.6823 10.2958 10.2958 12.2741 12.2741 12.2949 12.2949 k = 0.3578 0.5349-0.0000 ( 2652 PWs) bands (ev): -11.2738 -11.2738 -11.2638 -11.2638 -9.5525 -9.5525 -9.5349 -9.5349 -0.1839 -0.1839 -0.1141 -0.1141 0.5024 0.5024 0.9553 0.9553 0.9652 0.9652 1.0666 1.0666 1.0793 1.0793 1.2611 1.2611 3.1712 3.1712 3.6389 3.6389 3.7128 3.7128 4.9060 4.9060 6.5359 6.5359 6.6453 6.6453 6.7089 6.7089 6.7923 6.7923 6.9498 6.9498 7.1129 7.1129 7.3474 7.3474 7.6374 7.6374 8.6333 8.6333 8.6758 8.6758 10.2875 10.2875 12.2927 12.2927 12.3308 12.3308 k = 0.3529 0.5434-0.0000 ( 2642 PWs) bands (ev): -11.2712 -11.2712 -11.2629 -11.2629 -9.5498 -9.5498 -9.5352 -9.5352 -0.1691 -0.1691 -0.1033 -0.1033 0.4926 0.4926 0.9723 0.9723 0.9782 0.9782 1.0576 1.0576 1.0649 1.0649 1.2301 1.2301 3.1803 3.1803 3.6323 3.6323 3.6821 3.6821 4.9103 4.9103 6.5560 6.5560 6.6436 6.6436 6.6986 6.6986 6.7871 6.7871 6.9521 6.9521 7.1118 7.1118 7.3729 7.3729 7.6106 7.6106 8.6330 8.6330 8.6709 8.6709 10.2805 10.2805 12.3114 12.3114 12.3649 12.3649 k = 0.3480 0.5519-0.0000 ( 2642 PWs) bands (ev): -11.2688 -11.2688 -11.2623 -11.2623 -9.5472 -9.5472 -9.5358 -9.5358 -0.1545 -0.1545 -0.0971 -0.0971 0.4838 0.4838 0.9877 0.9877 0.9924 0.9924 1.0412 1.0412 1.0606 1.0606 1.2025 1.2025 3.1873 3.1873 3.6264 3.6264 3.6589 3.6589 4.9134 4.9134 6.5741 6.5741 6.6423 6.6423 6.6884 6.6884 6.7827 6.7827 6.9539 6.9539 7.1108 7.1108 7.3984 7.3984 7.5841 7.5841 8.6323 8.6323 8.6674 8.6674 10.2748 10.2748 12.3312 12.3312 12.3936 12.3936 k = 0.3431 0.5604-0.0000 ( 2642 PWs) bands (ev): -11.2667 -11.2667 -11.2622 -11.2622 -9.5447 -9.5447 -9.5368 -9.5368 -0.1403 -0.1403 -0.0961 -0.0961 0.4769 0.4769 1.0017 1.0017 1.0066 1.0066 1.0297 1.0297 1.0536 1.0536 1.1797 1.1797 3.1920 3.1920 3.6208 3.6208 3.6438 3.6438 4.9155 4.9155 6.5888 6.5888 6.6426 6.6426 6.6783 6.6783 6.7792 6.7792 6.9553 6.9553 7.1100 7.1100 7.4230 7.4230 7.5588 7.5588 8.6317 8.6317 8.6652 8.6652 10.2705 10.2705 12.3522 12.3522 12.4130 12.4130 k = 0.3382 0.5689-0.0000 ( 2646 PWs) bands (ev): -11.2651 -11.2651 -11.2626 -11.2626 -9.5425 -9.5425 -9.5382 -9.5382 -0.1266 -0.1266 -0.1006 -0.1006 0.4725 0.4725 1.0151 1.0151 1.0175 1.0175 1.0231 1.0231 1.0439 1.0439 1.1639 1.1639 3.1945 3.1945 3.6161 3.6161 3.6363 3.6363 4.9167 4.9167 6.5978 6.5978 6.6462 6.6462 6.6688 6.6688 6.7769 6.7769 6.9560 6.9560 7.1094 7.1094 7.4440 7.4440 7.5374 7.5374 8.6311 8.6311 8.6641 8.6641 10.2679 10.2679 12.3738 12.3738 12.4180 12.4180 k = 0.3333 0.5774-0.0000 ( 2646 PWs) bands (ev): -11.2641 -11.2641 -11.2632 -11.2632 -9.5409 -9.5409 -9.5394 -9.5394 -0.1168 -0.1168 -0.1074 -0.1074 0.4710 0.4710 1.0199 1.0199 1.0217 1.0217 1.0268 1.0268 1.0343 1.0343 1.1581 1.1581 3.1952 3.1952 3.6142 3.6142 3.6342 3.6342 4.9171 4.9171 6.6005 6.6005 6.6504 6.6504 6.6629 6.6629 6.7761 6.7761 6.9563 6.9563 7.1091 7.1091 7.4537 7.4537 7.5276 7.5276 8.6309 8.6309 8.6637 8.6637 10.2670 10.2670 12.3897 12.3897 12.4110 12.4110 k = 0.3333 0.5774-0.0000 ( 2646 PWs) bands (ev): -11.2641 -11.2641 -11.2632 -11.2632 -9.5409 -9.5409 -9.5394 -9.5394 -0.1168 -0.1168 -0.1074 -0.1074 0.4710 0.4710 1.0199 1.0199 1.0217 1.0217 1.0268 1.0268 1.0343 1.0343 1.1581 1.1581 3.1952 3.1952 3.6142 3.6142 3.6342 3.6342 4.9171 4.9171 6.6005 6.6005 6.6504 6.6504 6.6629 6.6629 6.7761 6.7761 6.9563 6.9563 7.1091 7.1091 7.4537 7.4537 7.5276 7.5276 8.6309 8.6309 8.6637 8.6637 10.2670 10.2670 12.3897 12.3897 12.4110 12.4110 k = 0.3284 0.5687-0.0000 ( 2646 PWs) bands (ev): -11.2652 -11.2652 -11.2625 -11.2625 -9.5426 -9.5426 -9.5380 -9.5380 -0.1293 -0.1293 -0.0979 -0.0979 0.4725 0.4725 1.0136 1.0136 1.0170 1.0170 1.0232 1.0232 1.0457 1.0457 1.1638 1.1638 3.1947 3.1947 3.6161 3.6161 3.6361 3.6361 4.9168 4.9168 6.5986 6.5986 6.6447 6.6447 6.6692 6.6692 6.7771 6.7771 6.9560 6.9560 7.1094 7.1094 7.4437 7.4437 7.5377 7.5377 8.6312 8.6312 8.6640 8.6640 10.2679 10.2679 12.3652 12.3652 12.4278 12.4278 k = 0.3234 0.5601-0.0000 ( 2642 PWs) bands (ev): -11.2672 -11.2672 -11.2620 -11.2620 -9.5454 -9.5454 -9.5363 -9.5363 -0.1505 -0.1505 -0.0852 -0.0852 0.4768 0.4768 0.9949 0.9949 1.0069 1.0069 1.0295 1.0295 1.0608 1.0608 1.1790 1.1790 3.1939 3.1939 3.6209 3.6209 3.6421 3.6421 4.9157 4.9157 6.5944 6.5944 6.6355 6.6355 6.6788 6.6788 6.7804 6.7804 6.9552 6.9552 7.1102 7.1102 7.4221 7.4221 7.5596 7.5596 8.6320 8.6320 8.6648 8.6648 10.2709 10.2709 12.3204 12.3204 12.4536 12.4536 k = 0.3184 0.5515-0.0000 ( 2650 PWs) bands (ev): -11.2699 -11.2699 -11.2619 -11.2619 -9.5487 -9.5487 -9.5347 -9.5347 -0.1764 -0.1764 -0.0727 -0.0727 0.4832 0.4832 0.9728 0.9728 0.9943 0.9943 1.0398 1.0398 1.0764 1.0764 1.2003 1.2003 3.1936 3.1936 3.6270 3.6270 3.6528 3.6528 4.9141 4.9141 6.5888 6.5888 6.6259 6.6259 6.6867 6.6867 6.7862 6.7862 6.9538 6.9538 7.1115 7.1115 7.3968 7.3968 7.5851 7.5851 8.6332 8.6332 8.6660 8.6660 10.2759 10.2759 12.2679 12.2679 12.4814 12.4814 k = 0.3134 0.5429-0.0000 ( 2650 PWs) bands (ev): -11.2732 -11.2732 -11.2622 -11.2622 -9.5525 -9.5525 -9.5334 -9.5334 -0.2060 -0.2060 -0.0605 -0.0605 0.4913 0.4913 0.9477 0.9477 0.9813 0.9813 1.0538 1.0538 1.0926 1.0926 1.2256 1.2256 3.1944 3.1944 3.6339 3.6339 3.6681 3.6681 4.9122 4.9122 6.5825 6.5825 6.6164 6.6164 6.6923 6.6923 6.7945 6.7945 6.9520 6.9520 7.1133 7.1133 7.3705 7.3705 7.6118 7.6118 8.6350 8.6350 8.6676 8.6676 10.2831 10.2831 12.2122 12.2122 12.5105 12.5105 k = 0.3085 0.5343-0.0000 ( 2646 PWs) bands (ev): -11.2772 -11.2772 -11.2630 -11.2630 -9.5568 -9.5568 -9.5323 -9.5323 -0.2385 -0.2385 -0.0486 -0.0486 0.5006 0.5006 0.9198 0.9198 0.9695 0.9695 1.0713 1.0713 1.1093 1.1093 1.2536 1.2536 3.1971 3.1971 3.6417 3.6417 3.6870 3.6870 4.9098 4.9098 6.5759 6.5759 6.6072 6.6072 6.6955 6.6955 6.8048 6.8048 6.9500 6.9500 7.1157 7.1157 7.3440 7.3440 7.6385 7.6385 8.6373 8.6373 8.6694 8.6694 10.2926 10.2926 12.1557 12.1557 12.5409 12.5409 k = 0.3035 0.5256-0.0000 ( 2646 PWs) bands (ev): -11.2818 -11.2818 -11.2644 -11.2644 -9.5617 -9.5617 -9.5314 -9.5314 -0.2731 -0.2731 -0.0371 -0.0371 0.5106 0.5106 0.8892 0.8892 0.9593 0.9593 1.0920 1.0920 1.1265 1.1265 1.2836 1.2836 3.2020 3.2020 3.6505 3.6505 3.7086 3.7086 4.9072 4.9072 6.5690 6.5690 6.5983 6.5983 6.6966 6.6966 6.8166 6.8166 6.9476 6.9476 7.1184 7.1184 7.3178 7.3178 7.6648 7.6648 8.6400 8.6400 8.6716 8.6716 10.3043 10.3043 12.0998 12.0998 12.5724 12.5724 k = 0.2985 0.5170-0.0000 ( 2642 PWs) bands (ev): -11.2872 -11.2872 -11.2662 -11.2662 -9.5672 -9.5672 -9.5308 -9.5308 -0.3094 -0.3094 -0.0257 -0.0257 0.5210 0.5210 0.8561 0.8561 0.9512 0.9512 1.1157 1.1157 1.1442 1.1442 1.3152 1.3152 3.2094 3.2094 3.6605 3.6605 3.7323 3.7323 4.9044 4.9044 6.5621 6.5621 6.5897 6.5897 6.6962 6.6962 6.8291 6.8291 6.9453 6.9453 7.1216 7.1216 7.2921 7.2921 7.6902 7.6902 8.6430 8.6430 8.6741 8.6741 10.3183 10.3183 12.0455 12.0455 12.6050 12.6050 k = 0.2935 0.5084-0.0000 ( 2640 PWs) bands (ev): -11.2933 -11.2933 -11.2686 -11.2686 -9.5732 -9.5732 -9.5305 -9.5305 -0.3468 -0.3468 -0.0146 -0.0146 0.5316 0.5316 0.8207 0.8207 0.9454 0.9454 1.1420 1.1420 1.1625 1.1625 1.3482 1.3482 3.2195 3.2195 3.6718 3.6718 3.7575 3.7575 4.9016 4.9016 6.5552 6.5552 6.5816 6.5816 6.6947 6.6947 6.8419 6.8419 6.9431 6.9431 7.1251 7.1251 7.2671 7.2671 7.7146 7.7146 8.6462 8.6462 8.6768 8.6768 10.3348 10.3348 11.9935 11.9935 12.6387 12.6387 k = 0.2886 0.4998-0.0000 ( 2648 PWs) bands (ev): -11.3001 -11.3001 -11.2715 -11.2715 -9.5798 -9.5798 -9.5304 -9.5304 -0.3851 -0.3851 -0.0035 -0.0035 0.5424 0.5424 0.7833 0.7833 0.9420 0.9420 1.1707 1.1707 1.1813 1.1813 1.3823 1.3823 3.2322 3.2322 3.6843 3.6843 3.7838 3.7838 4.8988 4.8988 6.5483 6.5483 6.5738 6.5738 6.6922 6.6922 6.8545 6.8545 6.9410 6.9410 7.1285 7.1285 7.2432 7.2432 7.7375 7.7375 8.6495 8.6495 8.6795 8.6795 10.3536 10.3536 11.9442 11.9442 12.6733 12.6733 k = 0.2836 0.4912-0.0000 ( 2648 PWs) bands (ev): -11.3076 -11.3076 -11.2750 -11.2750 -9.5870 -9.5870 -9.5307 -9.5307 -0.4239 -0.4239 0.0076 0.0076 0.5535 0.5535 0.7441 0.7441 0.9411 0.9411 1.2000 1.2000 1.2022 1.2022 1.4175 1.4175 3.2477 3.2477 3.6982 3.6982 3.8110 3.8110 4.8961 4.8961 6.5415 6.5415 6.5664 6.5664 6.6890 6.6890 6.8667 6.8667 6.9395 6.9395 7.1318 7.1318 7.2205 7.2205 7.7589 7.7589 8.6531 8.6531 8.6826 8.6826 10.3748 10.3748 11.8983 11.8983 12.7090 12.7090 k = 0.2786 0.4826-0.0000 ( 2640 PWs) bands (ev): -11.3159 -11.3159 -11.2791 -11.2791 -9.5948 -9.5948 -9.5312 -9.5312 -0.4631 -0.4631 0.0189 0.0189 0.5648 0.5648 0.7033 0.7033 0.9426 0.9426 1.2204 1.2204 1.2343 1.2343 1.4536 1.4536 3.2659 3.2659 3.7135 3.7135 3.8387 3.8387 4.8938 4.8938 6.5349 6.5349 6.5596 6.5596 6.6852 6.6852 6.8783 6.8783 6.9385 6.9385 7.1343 7.1343 7.2000 7.2000 7.7785 7.7785 8.6569 8.6569 8.6858 8.6858 10.3985 10.3985 11.8559 11.8559 12.7456 12.7456 k = 0.2736 0.4739-0.0000 ( 2642 PWs) bands (ev): -11.3249 -11.3249 -11.2837 -11.2837 -9.6032 -9.6032 -9.5320 -9.5320 -0.5025 -0.5025 0.0304 0.0304 0.5766 0.5766 0.6611 0.6611 0.9466 0.9466 1.2410 1.2410 1.2683 1.2683 1.4905 1.4905 3.2866 3.2866 3.7299 3.7299 3.8666 3.8666 4.8916 4.8916 6.5283 6.5283 6.5533 6.5533 6.6808 6.6808 6.8889 6.8889 6.9381 6.9381 7.1344 7.1344 7.1829 7.1829 7.7959 7.7959 8.6607 8.6607 8.6891 8.6891 10.4247 10.4247 11.8175 11.8175 12.7830 12.7830 k = 0.2687 0.4653-0.0000 ( 2644 PWs) bands (ev): -11.3346 -11.3346 -11.2889 -11.2889 -9.6121 -9.6121 -9.5331 -9.5331 -0.5421 -0.5421 0.0423 0.0423 0.5890 0.5890 0.6179 0.6179 0.9530 0.9530 1.2620 1.2620 1.3036 1.3036 1.5282 1.5282 3.3098 3.3098 3.7474 3.7474 3.8946 3.8946 4.8899 4.8899 6.5218 6.5218 6.5473 6.5473 6.6759 6.6759 6.8987 6.8987 6.9386 6.9386 7.1292 7.1292 7.1724 7.1724 7.8110 7.8110 8.6646 8.6646 8.6924 8.6924 10.4533 10.4533 11.7833 11.7833 12.8213 12.8213 k = 0.2637 0.4567-0.0000 ( 2644 PWs) bands (ev): -11.3451 -11.3451 -11.2947 -11.2947 -9.6217 -9.6217 -9.5345 -9.5345 -0.5817 -0.5817 0.0547 0.0547 0.5735 0.5735 0.6024 0.6024 0.9617 0.9617 1.2838 1.2838 1.3398 1.3398 1.5666 1.5666 3.3354 3.3354 3.7662 3.7662 3.9224 3.9224 4.8887 4.8887 6.5156 6.5156 6.5419 6.5419 6.6706 6.6706 6.9073 6.9073 6.9400 6.9400 7.1177 7.1177 7.1695 7.1695 7.8237 7.8237 8.6686 8.6686 8.6957 8.6957 10.4845 10.4845 11.7536 11.7536 12.8604 12.8604 k = 0.2587 0.4481-0.0000 ( 2644 PWs) bands (ev): -11.3563 -11.3563 -11.3010 -11.3010 -9.6318 -9.6318 -9.5363 -9.5363 -0.6215 -0.6215 0.0678 0.0678 0.5286 0.5286 0.6167 0.6167 0.9726 0.9726 1.3060 1.3060 1.3767 1.3767 1.6056 1.6056 3.3633 3.3633 3.7860 3.7860 3.9499 3.9499 4.8880 4.8880 6.5094 6.5094 6.5371 6.5371 6.6650 6.6650 6.9144 6.9144 6.9425 6.9425 7.1031 7.1031 7.1712 7.1712 7.8337 7.8337 8.6727 8.6727 8.6989 8.6989 10.5182 10.5182 11.7286 11.7286 12.9003 12.9003 k = 0.2537 0.4395-0.0000 ( 2640 PWs) bands (ev): -11.3682 -11.3682 -11.3079 -11.3079 -9.6425 -9.6425 -9.5383 -9.5383 -0.6612 -0.6612 0.0817 0.0817 0.4830 0.4830 0.6323 0.6323 0.9857 0.9857 1.3289 1.3289 1.4141 1.4141 1.6451 1.6451 3.3934 3.3934 3.8068 3.8068 3.9770 3.9770 4.8881 4.8881 6.5034 6.5034 6.5328 6.5328 6.6592 6.6592 6.9198 6.9198 6.9463 6.9463 7.0882 7.0882 7.1748 7.1748 7.8409 7.8409 8.6770 8.6770 8.7020 8.7020 10.5544 10.5544 11.7084 11.7084 12.9408 12.9408 k = 0.2488 0.4309-0.0000 ( 2640 PWs) bands (ev): -11.3808 -11.3808 -11.3154 -11.3154 -9.6537 -9.6537 -9.5407 -9.5407 -0.7011 -0.7011 0.0964 0.0964 0.4371 0.4371 0.6493 0.6493 1.0008 1.0008 1.3523 1.3523 1.4516 1.4516 1.6850 1.6850 3.4255 3.4255 3.8285 3.8285 4.0035 4.0035 4.8888 4.8888 6.4975 6.4975 6.5288 6.5288 6.6532 6.6532 6.9233 6.9233 6.9513 6.9513 7.0740 7.0740 7.1792 7.1792 7.8452 7.8452 8.6815 8.6815 8.7049 8.7049 10.5930 10.5930 11.6933 11.6933 12.9819 12.9819 k = 0.2438 0.4222-0.0000 ( 2644 PWs) bands (ev): -11.3941 -11.3941 -11.3234 -11.3234 -9.6655 -9.6655 -9.5433 -9.5433 -0.7410 -0.7410 0.1120 0.1120 0.3909 0.3909 0.6679 0.6679 1.0179 1.0179 1.3765 1.3765 1.4894 1.4894 1.7253 1.7253 3.4595 3.4595 3.8510 3.8510 4.0293 4.0293 4.8903 4.8903 6.4917 6.4917 6.5255 6.5255 6.6471 6.6471 6.9251 6.9251 6.9571 6.9571 7.0613 7.0613 7.1839 7.1839 7.8464 7.8464 8.6861 8.6861 8.7076 8.7076 10.6342 10.6342 11.6833 11.6833 13.0235 13.0235 k = 0.2388 0.4136-0.0000 ( 2650 PWs) bands (ev): -11.4080 -11.4080 -11.3319 -11.3319 -9.6779 -9.6779 -9.5463 -9.5463 -0.7810 -0.7810 0.1287 0.1287 0.3446 0.3446 0.6884 0.6884 1.0368 1.0368 1.4012 1.4012 1.5270 1.5270 1.7659 1.7659 3.4952 3.4952 3.8743 3.8743 4.0542 4.0542 4.8927 4.8927 6.4859 6.4859 6.5224 6.5224 6.6409 6.6409 6.9253 6.9253 6.9637 6.9637 7.0503 7.0503 7.1889 7.1889 7.8445 7.8445 8.6907 8.6907 8.7103 8.7103 10.6779 10.6779 11.6784 11.6784 13.0655 13.0655 k = 0.2338 0.4050-0.0000 ( 2656 PWs) bands (ev): -11.4226 -11.4226 -11.3410 -11.3410 -9.6907 -9.6907 -9.5495 -9.5495 -0.8210 -0.8210 0.1465 0.1465 0.2983 0.2983 0.7109 0.7109 1.0575 1.0575 1.4265 1.4265 1.5643 1.5643 1.8067 1.8067 3.5327 3.5327 3.8982 3.8982 4.0784 4.0784 4.8961 4.8961 6.4804 6.4804 6.5199 6.5199 6.6346 6.6346 6.9238 6.9238 6.9707 6.9707 7.0412 7.0412 7.1938 7.1938 7.8395 7.8395 8.6953 8.6953 8.7129 8.7129 10.7241 10.7241 11.6788 11.6788 13.1080 13.1080 k = 0.2289 0.3964-0.0000 ( 2660 PWs) bands (ev): -11.4378 -11.4378 -11.3505 -11.3505 -9.7040 -9.7040 -9.5530 -9.5530 -0.8612 -0.8612 0.1656 0.1656 0.2521 0.2521 0.7354 0.7354 1.0800 1.0800 1.4525 1.4525 1.6013 1.6013 1.8478 1.8478 3.5716 3.5716 3.9225 3.9225 4.1017 4.1017 4.9006 4.9006 6.4750 6.4750 6.5177 6.5177 6.6285 6.6285 6.9208 6.9208 6.9780 6.9780 7.0341 7.0341 7.1987 7.1987 7.8315 7.8315 8.6997 8.6997 8.7158 8.7158 10.7728 10.7728 11.6844 11.6844 13.1507 13.1507 k = 0.2239 0.3878-0.0000 ( 2656 PWs) bands (ev): -11.4535 -11.4535 -11.3605 -11.3605 -9.7178 -9.7178 -9.5568 -9.5568 -0.9016 -0.9016 0.1858 0.1858 0.2061 0.2061 0.7622 0.7622 1.1040 1.1040 1.4792 1.4792 1.6377 1.6377 1.8890 1.8890 3.6119 3.6119 3.9472 3.9472 4.1242 4.1242 4.9064 4.9064 6.4699 6.4699 6.5158 6.5158 6.6226 6.6226 6.9165 6.9165 6.9854 6.9854 7.0291 7.0291 7.2036 7.2036 7.8205 7.8205 8.7035 8.7035 8.7194 8.7194 10.8240 10.8240 11.6951 11.6951 13.1935 13.1935 k = 0.2189 0.3792-0.0000 ( 2652 PWs) bands (ev): -11.4697 -11.4697 -11.3710 -11.3710 -9.7320 -9.7320 -9.5609 -9.5609 -0.9420 -0.9420 0.1605 0.1605 0.2073 0.2073 0.7914 0.7914 1.1296 1.1296 1.5065 1.5065 1.6735 1.6735 1.9302 1.9302 3.6534 3.6534 3.9721 3.9721 4.1459 4.1459 4.9134 4.9134 6.4649 6.4649 6.5141 6.5141 6.6169 6.6169 6.9112 6.9112 6.9926 6.9926 7.0260 7.0260 7.2083 7.2083 7.8066 7.8066 8.7063 8.7063 8.7242 8.7242 10.8776 10.8776 11.7109 11.7109 13.2364 13.2364 k = 0.2139 0.3705-0.0000 ( 2648 PWs) bands (ev): -11.4865 -11.4865 -11.3819 -11.3819 -9.7466 -9.7466 -9.5652 -9.5652 -0.9825 -0.9825 0.1152 0.1152 0.2301 0.2301 0.8230 0.8230 1.1567 1.1567 1.5344 1.5344 1.7086 1.7086 1.9713 1.9713 3.6959 3.6959 3.9969 3.9969 4.1670 4.1670 4.9218 4.9218 6.4602 6.4602 6.5127 6.5127 6.6115 6.6115 6.9050 6.9050 6.9989 6.9989 7.0253 7.0253 7.2127 7.2127 7.7899 7.7899 8.7081 8.7081 8.7301 8.7301 10.9335 10.9335 11.7316 11.7316 13.2791 13.2791 k = 0.2090 0.3619-0.0000 ( 2656 PWs) bands (ev): -11.5037 -11.5037 -11.3933 -11.3933 -9.7617 -9.7617 -9.5698 -9.5698 -1.0232 -1.0232 0.0704 0.0704 0.2541 0.2541 0.8570 0.8570 1.1850 1.1850 1.5630 1.5630 1.7427 1.7427 2.0124 2.0124 3.7389 3.7389 4.0216 4.0216 4.1875 4.1875 4.9318 4.9318 6.4555 6.4555 6.5113 6.5113 6.6063 6.6063 6.8982 6.8982 7.0031 7.0031 7.0276 7.0276 7.2167 7.2167 7.7705 7.7705 8.7092 8.7092 8.7369 8.7369 10.9919 10.9919 11.7569 11.7569 13.3214 13.3214 k = 0.2040 0.3533-0.0000 ( 2660 PWs) bands (ev): -11.5214 -11.5214 -11.4050 -11.4050 -9.7770 -9.7770 -9.5746 -9.5746 -1.0640 -1.0640 0.0261 0.0261 0.2793 0.2793 0.8936 0.8936 1.2147 1.2147 1.5922 1.5922 1.7760 1.7760 2.0534 2.0534 3.7822 3.7822 4.0458 4.0458 4.2079 4.2079 4.9433 4.9433 6.4511 6.4511 6.5102 6.5102 6.6013 6.6013 6.8912 6.8912 7.0048 7.0048 7.0331 7.0331 7.2204 7.2204 7.7488 7.7488 8.7097 8.7097 8.7445 8.7445 11.0525 11.0525 11.7869 11.7869 13.3631 13.3631 k = 0.1990 0.3447-0.0000 ( 2664 PWs) bands (ev): -11.5394 -11.5394 -11.4171 -11.4171 -9.7927 -9.7927 -9.5797 -9.5797 -1.1048 -1.1048 -0.0177 -0.0177 0.3058 0.3058 0.9326 0.9326 1.2456 1.2456 1.6221 1.6221 1.8083 1.8083 2.0941 2.0941 3.8255 3.8255 4.0694 4.0694 4.2284 4.2284 4.9566 4.9566 6.4470 6.4470 6.5091 6.5091 6.5967 6.5967 6.8840 6.8840 7.0049 7.0049 7.0406 7.0406 7.2238 7.2238 7.7248 7.7248 8.7099 8.7099 8.7529 8.7529 11.1154 11.1154 11.8212 11.8212 13.4040 13.4040 k = 0.1940 0.3361-0.0000 ( 2668 PWs) bands (ev): -11.5578 -11.5578 -11.4295 -11.4295 -9.8087 -9.8087 -9.5849 -9.5849 -1.1456 -1.1456 -0.0608 -0.0608 0.3335 0.3335 0.9743 0.9743 1.2777 1.2777 1.6525 1.6525 1.8395 1.8395 2.1346 2.1346 3.8679 3.8679 4.0922 4.0922 4.2497 4.2497 4.9718 4.9718 6.4431 6.4431 6.5081 6.5081 6.5924 6.5924 6.8769 6.8769 7.0042 7.0042 7.0489 7.0489 7.2266 7.2266 7.6989 7.6989 8.7099 8.7099 8.7619 8.7619 11.1806 11.1806 11.8595 11.8595 13.4435 13.4435 k = 0.1891 0.3275-0.0000 ( 2668 PWs) bands (ev): -11.5765 -11.5765 -11.4422 -11.4422 -9.8250 -9.8250 -9.5904 -9.5904 -1.1865 -1.1865 -0.1032 -0.1032 0.3624 0.3624 1.0185 1.0185 1.3108 1.3108 1.6836 1.6836 1.8697 1.8697 2.1748 2.1748 3.9090 3.9090 4.1141 4.1141 4.2725 4.2725 4.9890 4.9890 6.4395 6.4395 6.5072 6.5072 6.5885 6.5885 6.8698 6.8698 7.0031 7.0031 7.0576 7.0576 7.2290 7.2290 7.6712 7.6712 8.7100 8.7100 8.7715 8.7715 11.2479 11.2479 11.9018 11.9018 13.4811 13.4811 k = 0.1841 0.3188-0.0000 ( 2660 PWs) bands (ev): -11.5954 -11.5954 -11.4551 -11.4551 -9.8414 -9.8414 -9.5960 -9.5960 -1.2272 -1.2272 -0.1449 -0.1449 0.3925 0.3925 1.0652 1.0652 1.3449 1.3449 1.7153 1.7153 1.8988 1.8988 2.2146 2.2146 3.9477 3.9477 4.1347 4.1347 4.2975 4.2975 5.0084 5.0084 6.4362 6.4362 6.5063 6.5063 6.5850 6.5850 6.8628 6.8628 7.0020 7.0020 7.0662 7.0662 7.2308 7.2308 7.6421 7.6421 8.7103 8.7103 8.7817 8.7817 11.3173 11.3173 11.9477 11.9477 13.5159 13.5159 k = 0.1791 0.3102-0.0000 ( 2656 PWs) bands (ev): -11.6145 -11.6145 -11.4682 -11.4682 -9.8580 -9.8580 -9.6017 -9.6017 -1.2678 -1.2678 -0.1859 -0.1859 0.4236 0.4236 1.1143 1.1143 1.3798 1.3798 1.7476 1.7476 1.9266 1.9266 2.2540 2.2540 3.9830 3.9830 4.1540 4.1540 4.3258 4.3258 5.0299 5.0299 6.4331 6.4331 6.5055 6.5055 6.5818 6.5818 6.8559 6.8559 7.0007 7.0007 7.0745 7.0745 7.2319 7.2319 7.6117 7.6117 8.7108 8.7108 8.7925 8.7925 11.3887 11.3887 11.9968 11.9968 13.5465 13.5465 k = 0.1741 0.3016-0.0000 ( 2656 PWs) bands (ev): -11.6338 -11.6338 -11.4816 -11.4816 -9.8748 -9.8748 -9.6077 -9.6077 -1.3083 -1.3083 -0.2261 -0.2261 0.4557 0.4557 1.1659 1.1659 1.4156 1.4156 1.7804 1.7804 1.9532 1.9532 2.2929 2.2929 4.0142 4.0142 4.1717 4.1717 4.3582 4.3582 5.0536 5.0536 6.4303 6.4303 6.5047 6.5047 6.5788 6.5788 6.8488 6.8488 6.9994 6.9994 7.0824 7.0824 7.2324 7.2324 7.5803 7.5803 8.7116 8.7116 8.8038 8.8038 11.4619 11.4619 12.0489 12.0489 13.5706 13.5706 k = 0.1692 0.2930-0.0000 ( 2656 PWs) bands (ev): -11.6532 -11.6532 -11.4951 -11.4951 -9.8917 -9.8917 -9.6137 -9.6137 -1.3486 -1.3486 -0.2655 -0.2655 0.4888 0.4888 1.2197 1.2197 1.4520 1.4520 1.8138 1.8138 1.9787 1.9787 2.3313 2.3313 4.0406 4.0406 4.1877 4.1877 4.3953 4.3953 5.0796 5.0796 6.4277 6.4277 6.5039 6.5039 6.5762 6.5762 6.8417 6.8417 6.9982 6.9982 7.0895 7.0895 7.2320 7.2320 7.5483 7.5483 8.7128 8.7128 8.8157 8.8157 11.5370 11.5370 12.1037 12.1037 13.5845 13.5845 k = 0.1642 0.2844-0.0000 ( 2660 PWs) bands (ev): -11.6727 -11.6727 -11.5087 -11.5087 -9.9086 -9.9086 -9.6199 -9.6199 -1.3885 -1.3885 -0.3040 -0.3040 0.5227 0.5227 1.2758 1.2758 1.4890 1.4890 1.8477 1.8477 2.0029 2.0029 2.3691 2.3691 4.0619 4.0619 4.2019 4.2019 4.4374 4.4374 5.1078 5.1078 6.4255 6.4255 6.5031 6.5031 6.5739 6.5739 6.8343 6.8343 6.9970 6.9970 7.0958 7.0958 7.2308 7.2308 7.5158 7.5158 8.7147 8.7147 8.8280 8.8280 11.6138 11.6138 12.1609 12.1609 13.5827 13.5827 k = 0.1592 0.2757-0.0000 ( 2660 PWs) bands (ev): -11.6921 -11.6921 -11.5224 -11.5224 -9.9256 -9.9256 -9.6261 -9.6261 -1.4281 -1.4281 -0.3416 -0.3416 0.5573 0.5573 1.3340 1.3340 1.5265 1.5265 1.8822 1.8822 2.0259 2.0259 2.4063 2.4063 4.0787 4.0787 4.2143 4.2143 4.4843 4.4843 5.1383 5.1383 6.4235 6.4235 6.5023 6.5023 6.5718 6.5718 6.8268 6.8268 6.9961 6.9961 7.1010 7.1010 7.2286 7.2286 7.4832 7.4832 8.7173 8.7173 8.8408 8.8408 11.6922 11.6922 12.2201 12.2201 13.5593 13.5593 k = 0.1542 0.2671-0.0000 ( 2652 PWs) bands (ev): -11.7116 -11.7116 -11.5361 -11.5361 -9.9425 -9.9425 -9.6325 -9.6325 -1.4673 -1.4673 -0.3783 -0.3783 0.5928 0.5928 1.3942 1.3942 1.5644 1.5644 1.9171 1.9171 2.0477 2.0477 2.4429 2.4429 4.0911 4.0911 4.2246 4.2246 4.5354 4.5354 5.1709 5.1709 6.4219 6.4219 6.5016 6.5016 6.5700 6.5700 6.8191 6.8191 6.9953 6.9953 7.1051 7.1051 7.2256 7.2256 7.4509 7.4509 8.7207 8.7207 8.8541 8.8541 11.7720 11.7720 12.2811 12.2811 13.5119 13.5119 k = 0.1493 0.2585-0.0000 ( 2652 PWs) bands (ev): -11.7309 -11.7309 -11.5498 -11.5498 -9.9594 -9.9594 -9.6388 -9.6388 -1.5059 -1.5059 -0.4141 -0.4141 0.6288 0.6288 1.4562 1.4562 1.6025 1.6025 1.9524 1.9524 2.0683 2.0683 2.4788 2.4788 4.0999 4.0999 4.2329 4.2329 4.5902 4.5902 5.2055 5.2055 6.4205 6.4205 6.5010 6.5010 6.5684 6.5684 6.8109 6.8109 6.9946 6.9946 7.1079 7.1079 7.2216 7.2216 7.4188 7.4188 8.7251 8.7251 8.8677 8.8677 11.8530 11.8530 12.3433 12.3433 13.4442 13.4442 k = 0.1443 0.2499-0.0000 ( 2649 PWs) bands (ev): -11.7502 -11.7502 -11.5635 -11.5635 -9.9762 -9.9762 -9.6452 -9.6452 -1.5440 -1.5440 -0.4490 -0.4490 0.6653 0.6653 1.5199 1.5199 1.6408 1.6408 1.9882 1.9882 2.0877 2.0877 2.5140 2.5140 4.1057 4.1057 4.2392 4.2392 4.6481 4.6481 5.2420 5.2420 6.4194 6.4194 6.5003 6.5003 6.5670 6.5670 6.8023 6.8023 6.9941 6.9941 7.1092 7.1092 7.2165 7.2165 7.3876 7.3876 8.7306 8.7306 8.8817 8.8817 11.9351 11.9351 12.4064 12.4064 13.3627 13.3627 k = 0.1393 0.2413-0.0000 ( 2651 PWs) bands (ev): -11.7692 -11.7692 -11.5772 -11.5772 -9.9928 -9.9928 -9.6516 -9.6516 -1.5815 -1.5815 -0.4829 -0.4829 0.7022 0.7022 1.5852 1.5852 1.6789 1.6789 2.0243 2.0243 2.1059 2.1059 2.5484 2.5484 4.1089 4.1089 4.2438 4.2438 4.7086 4.7086 5.2802 5.2802 6.4186 6.4186 6.4998 6.4998 6.5657 6.5657 6.7934 6.7934 6.9938 6.9938 7.1086 7.1086 7.2103 7.2103 7.3572 7.3572 8.7373 8.7373 8.8958 8.8958 12.0180 12.0180 12.4697 12.4697 13.2729 13.2729 k = 0.1343 0.2327-0.0000 ( 2661 PWs) bands (ev): -11.7881 -11.7881 -11.5907 -11.5907 -10.0093 -10.0093 -9.6581 -9.6581 -1.6183 -1.6183 -0.5158 -0.5158 0.7394 0.7394 1.6519 1.6519 1.7170 1.7170 2.0607 2.0607 2.1231 2.1231 2.5820 2.5820 4.1100 4.1100 4.2463 4.2463 4.7711 4.7711 5.3200 5.3200 6.4180 6.4180 6.4991 6.4991 6.5646 6.5646 6.7840 6.7840 6.9936 6.9936 7.1062 7.1062 7.2031 7.2031 7.3281 7.3281 8.7452 8.7452 8.9102 8.9102 12.1013 12.1013 12.5328 12.5328 13.1788 13.1788 k = 0.1294 0.2240-0.0000 ( 2669 PWs) bands (ev): -11.8067 -11.8067 -11.6041 -11.6041 -10.0256 -10.0256 -9.6644 -9.6644 -1.6544 -1.6544 -0.5477 -0.5477 0.7768 0.7768 1.7197 1.7197 1.7547 1.7547 2.0974 2.0974 2.1391 2.1391 2.6148 2.6148 4.1095 4.1095 4.2469 4.2469 4.8353 4.8353 5.3612 5.3612 6.4176 6.4176 6.4986 6.4986 6.5636 6.5636 6.7743 6.7743 6.9936 6.9936 7.1017 7.1017 7.1946 7.1946 7.3006 7.3006 8.7543 8.7543 8.9248 8.9248 12.1847 12.1847 12.5948 12.5948 13.0830 13.0830 k = 0.1244 0.2154-0.0000 ( 2675 PWs) bands (ev): -11.8250 -11.8250 -11.6173 -11.6173 -10.0416 -10.0416 -9.6708 -9.6708 -1.6896 -1.6896 -0.5786 -0.5786 0.8144 0.8144 1.7884 1.7884 1.7920 1.7920 2.1342 2.1342 2.1542 2.1542 2.6467 2.6467 4.1077 4.1077 4.2457 4.2457 4.9010 4.9010 5.4036 5.4036 6.4176 6.4176 6.4982 6.4982 6.5627 6.5627 6.7641 6.7641 6.9936 6.9936 7.0951 7.0951 7.1851 7.1851 7.2748 7.2748 8.7647 8.7647 8.9395 8.9395 12.2671 12.2671 12.6547 12.6547 12.9875 12.9875 k = 0.1194 0.2068-0.0000 ( 2663 PWs) bands (ev): -11.8429 -11.8429 -11.6303 -11.6303 -10.0572 -10.0572 -9.6770 -9.6770 -1.7239 -1.7239 -0.6084 -0.6084 0.8521 0.8521 1.8286 1.8286 1.8580 1.8580 2.1679 2.1679 2.1719 2.1719 2.6777 2.6777 4.1048 4.1048 4.2430 4.2430 4.9679 4.9679 5.4473 5.4473 6.4179 6.4179 6.4979 6.4979 6.5618 6.5618 6.7539 6.7539 6.9937 6.9937 7.0865 7.0865 7.1745 7.1745 7.2510 7.2510 8.7767 8.7767 8.9543 8.9543 12.3471 12.3471 12.7109 12.7109 12.8948 12.8948 k = 0.1144 0.1982-0.0000 ( 2659 PWs) bands (ev): -11.8604 -11.8604 -11.6430 -11.6430 -10.0726 -10.0726 -9.6832 -9.6832 -1.7573 -1.7573 -0.6371 -0.6371 0.8897 0.8897 1.8646 1.8646 1.9278 1.9278 2.1818 2.1818 2.2087 2.2087 2.7079 2.7079 4.1009 4.1009 4.2389 4.2389 5.0358 5.0358 5.4918 5.4918 6.4184 6.4184 6.4975 6.4975 6.5610 6.5610 6.7433 6.7433 6.9938 6.9938 7.0757 7.0757 7.1624 7.1624 7.2292 7.2292 8.7900 8.7900 8.9690 8.9690 12.4204 12.4204 12.7603 12.7603 12.8103 12.8103 k = 0.1095 0.1896-0.0000 ( 2655 PWs) bands (ev): -11.8775 -11.8775 -11.6555 -11.6555 -10.0876 -10.0876 -9.6893 -9.6893 -1.7897 -1.7897 -0.6648 -0.6648 0.9271 0.9271 1.8997 1.8997 1.9975 1.9975 2.1949 2.1949 2.2460 2.2460 2.7370 2.7370 4.0962 4.0962 4.2331 4.2331 5.1045 5.1045 5.5371 5.5371 6.4191 6.4191 6.4973 6.4973 6.5601 6.5601 6.7325 6.7325 6.9938 6.9938 7.0633 7.0633 7.1490 7.1490 7.2093 7.2093 8.8047 8.8047 8.9836 8.9836 12.4741 12.4741 12.7436 12.7436 12.8031 12.8031 k = 0.1045 0.1810-0.0000 ( 2667 PWs) bands (ev): -11.8941 -11.8941 -11.6677 -11.6677 -10.1022 -10.1022 -9.6952 -9.6952 -1.8210 -1.8210 -0.6914 -0.6914 0.9641 0.9641 1.9337 1.9337 2.0662 2.0662 2.2083 2.2083 2.2832 2.2832 2.7652 2.7652 4.0909 4.0909 4.2260 4.2260 5.1736 5.1736 5.5828 5.5828 6.4198 6.4198 6.4970 6.4970 6.5591 6.5591 6.7215 6.7215 6.9937 6.9937 7.0493 7.0493 7.1340 7.1340 7.1909 7.1909 8.8205 8.8205 8.9978 8.9978 12.4773 12.4773 12.7309 12.7309 12.8289 12.8289 k = 0.0995 0.1723-0.0000 ( 2673 PWs) bands (ev): -11.9102 -11.9102 -11.6795 -11.6795 -10.1164 -10.1164 -9.7011 -9.7011 -1.8513 -1.8513 -0.7168 -0.7168 1.0008 1.0008 1.9665 1.9665 2.1312 2.1312 2.2244 2.2244 2.3203 2.3203 2.7924 2.7924 4.0851 4.0851 4.2175 4.2175 5.2430 5.2430 5.6290 5.6290 6.4208 6.4208 6.4968 6.4968 6.5579 6.5579 6.7104 6.7104 6.9931 6.9931 7.0348 7.0348 7.1178 7.1178 7.1737 7.1737 8.8377 8.8377 9.0119 9.0119 12.4245 12.4245 12.7750 12.7750 12.8351 12.8351 k = 0.0945 0.1637-0.0000 ( 2677 PWs) bands (ev): -11.9258 -11.9258 -11.6909 -11.6909 -10.1301 -10.1301 -9.7067 -9.7067 -1.8804 -1.8804 -0.7412 -0.7412 1.0369 1.0369 1.9980 1.9980 2.1835 2.1835 2.2520 2.2520 2.3571 2.3571 2.8185 2.8185 4.0790 4.0790 4.2079 4.2079 5.3128 5.3128 5.6754 5.6754 6.4219 6.4219 6.4966 6.4966 6.5565 6.5565 6.6994 6.6994 6.9918 6.9918 7.0202 7.0202 7.1007 7.1007 7.1574 7.1574 8.8560 8.8560 9.0258 9.0258 12.3483 12.3483 12.8131 12.8131 12.8474 12.8474 k = 0.0896 0.1551-0.0000 ( 2675 PWs) bands (ev): -11.9407 -11.9407 -11.7019 -11.7019 -10.1433 -10.1433 -9.7122 -9.7122 -1.9083 -1.9083 -0.7644 -0.7644 1.0724 1.0724 2.0281 2.0281 2.2111 2.2111 2.3028 2.3028 2.3937 2.3937 2.8435 2.8435 4.0726 4.0726 4.1972 4.1972 5.3828 5.3828 5.7221 5.7221 6.4233 6.4233 6.4964 6.4964 6.5549 6.5549 6.6887 6.6887 6.9882 6.9882 7.0072 7.0072 7.0827 7.0827 7.1414 7.1414 8.8753 8.8753 9.0393 9.0393 12.2657 12.2657 12.7722 12.7722 12.9232 12.9232 k = 0.0846 0.1465-0.0000 ( 2671 PWs) bands (ev): -11.9551 -11.9551 -11.7125 -11.7125 -10.1560 -10.1560 -9.7175 -9.7175 -1.9349 -1.9349 -0.7864 -0.7864 1.1071 1.1071 2.0567 2.0567 2.2250 2.2250 2.3656 2.3656 2.4299 2.4299 2.8674 2.8674 4.0661 4.0661 4.1855 4.1855 5.4526 5.4526 5.7688 5.7688 6.4248 6.4248 6.4962 6.4962 6.5530 6.5530 6.6782 6.6782 6.9791 6.9791 6.9988 6.9988 7.0645 7.0645 7.1254 7.1254 8.8953 8.8953 9.0525 9.0525 12.1823 12.1823 12.7123 12.7123 13.0027 13.0027 k = 0.0796 0.1379-0.0000 ( 2663 PWs) bands (ev): -11.9688 -11.9688 -11.7226 -11.7226 -10.1681 -10.1681 -9.7225 -9.7225 -1.9602 -1.9602 -0.8072 -0.8072 1.1410 1.1410 2.0837 2.0837 2.2345 2.2345 2.4309 2.4309 2.4656 2.4656 2.8901 2.8901 4.0595 4.0595 4.1732 4.1732 5.5223 5.5223 5.8155 5.8155 6.4263 6.4263 6.4961 6.4961 6.5505 6.5505 6.6683 6.6683 6.9650 6.9650 6.9940 6.9940 7.0468 7.0468 7.1094 7.1094 8.9160 8.9160 9.0651 9.0651 12.1002 12.1002 12.6411 12.6411 13.0828 13.0828 k = 0.0746 0.1293-0.0000 ( 2663 PWs) bands (ev): -11.9818 -11.9818 -11.7323 -11.7323 -10.1796 -10.1796 -9.7274 -9.7274 -1.9842 -1.9842 -0.8268 -0.8268 1.1739 1.1739 2.1090 2.1090 2.2421 2.2421 2.4951 2.4951 2.5015 2.5015 2.9116 2.9116 4.0529 4.0529 4.1600 4.1600 5.5915 5.5915 5.8619 5.8619 6.4278 6.4278 6.4958 6.4958 6.5475 6.5475 6.6588 6.6588 6.9487 6.9487 6.9884 6.9884 7.0311 7.0311 7.0933 7.0933 8.9372 8.9372 9.0773 9.0773 12.0205 12.0205 12.5642 12.5642 13.1621 13.1621 k = 0.0697 0.1206-0.0000 ( 2671 PWs) bands (ev): -11.9942 -11.9942 -11.7414 -11.7414 -10.1905 -10.1905 -9.7320 -9.7320 -2.0068 -2.0068 -0.8453 -0.8453 1.2056 1.2056 2.1325 2.1325 2.2484 2.2484 2.5342 2.5342 2.5604 2.5604 2.9318 2.9318 4.0464 4.0464 4.1463 4.1463 5.6601 5.6601 5.9080 5.9080 6.4294 6.4294 6.4955 6.4955 6.5438 6.5438 6.6500 6.6500 6.9307 6.9307 6.9788 6.9788 7.0193 7.0193 7.0774 7.0774 8.9584 8.9584 9.0889 9.0889 11.9437 11.9437 12.4852 12.4852 13.2398 13.2398 k = 0.0647 0.1120-0.0000 ( 2671 PWs) bands (ev): -12.0058 -12.0058 -11.7500 -11.7500 -10.2008 -10.2008 -9.7363 -9.7363 -2.0280 -2.0280 -0.8625 -0.8625 1.2360 1.2360 2.1543 2.1543 2.2538 2.2538 2.5674 2.5674 2.6221 2.6221 2.9508 2.9508 4.0400 4.0400 4.1323 4.1323 5.7282 5.7282 5.9537 5.9537 6.4309 6.4309 6.4951 6.4951 6.5395 6.5395 6.6422 6.6422 6.9111 6.9111 6.9645 6.9645 7.0124 7.0124 7.0621 7.0621 8.9797 8.9797 9.1000 9.1000 11.8705 11.8705 12.4065 12.4065 13.3157 13.3157 k = 0.0597 0.1034-0.0000 ( 2671 PWs) bands (ev): -12.0166 -12.0166 -11.7581 -11.7581 -10.2104 -10.2104 -9.7404 -9.7404 -2.0478 -2.0478 -0.8785 -0.8785 1.2650 1.2650 2.1742 2.1742 2.2586 2.2586 2.5994 2.5994 2.6816 2.6816 2.9684 2.9684 4.0338 4.0338 4.1181 4.1181 5.7955 5.7955 5.9990 5.9990 6.4325 6.4325 6.4946 6.4946 6.5346 6.5346 6.6354 6.6354 6.8896 6.8896 6.9464 6.9464 7.0087 7.0087 7.0480 7.0480 9.0006 9.0006 9.1105 9.1105 11.8013 11.8013 12.3296 12.3296 13.3891 13.3891 k = 0.0547 0.0948-0.0000 ( 2673 PWs) bands (ev): -12.0267 -12.0267 -11.7655 -11.7655 -10.2193 -10.2193 -9.7442 -9.7442 -2.0661 -2.0661 -0.8932 -0.8932 1.2924 1.2924 2.1924 2.1924 2.2628 2.2628 2.6301 2.6301 2.7382 2.7382 2.9848 2.9848 4.0278 4.0278 4.1040 4.1040 5.8618 5.8618 6.0437 6.0437 6.4339 6.4339 6.4937 6.4937 6.5292 6.5292 6.6297 6.6297 6.8663 6.8663 6.9257 6.9257 7.0064 7.0064 7.0357 7.0357 9.0209 9.0209 9.1205 9.1205 11.7363 11.7363 12.2559 12.2559 13.4595 13.4595 k = 0.0498 0.0862-0.0000 ( 2673 PWs) bands (ev): -12.0359 -12.0359 -11.7725 -11.7725 -10.2275 -10.2275 -9.7477 -9.7477 -2.0829 -2.0829 -0.9067 -0.9067 1.3180 1.3180 2.2087 2.2087 2.2665 2.2665 2.6592 2.6592 2.7916 2.7916 2.9997 2.9997 4.0220 4.0220 4.0901 4.0901 5.9271 5.9271 6.0877 6.0877 6.4354 6.4354 6.4925 6.4925 6.5236 6.5236 6.6248 6.6248 6.8411 6.8411 6.9025 6.9025 7.0050 7.0050 7.0256 7.0256 9.0404 9.0404 9.1300 9.1300 11.6759 11.6759 12.1861 12.1861 13.5265 13.5265 k = 0.0448 0.0776-0.0000 ( 2681 PWs) bands (ev): -12.0443 -12.0443 -11.7787 -11.7787 -10.2350 -10.2350 -9.7509 -9.7509 -2.0982 -2.0982 -0.9190 -0.9190 1.3418 1.3418 2.2232 2.2232 2.2696 2.2696 2.6865 2.6865 2.8413 2.8413 3.0133 3.0133 4.0163 4.0163 4.0767 4.0767 5.9911 5.9911 6.1312 6.1312 6.4366 6.4366 6.4907 6.4907 6.5182 6.5182 6.6209 6.6209 6.8144 6.8144 6.8768 6.8768 7.0038 7.0038 7.0176 7.0176 9.0586 9.0586 9.1389 9.1389 11.6203 11.6203 12.1210 12.1210 13.5895 13.5895 k = 0.0398 0.0689-0.0000 ( 2677 PWs) bands (ev): -12.0519 -12.0519 -11.7844 -11.7844 -10.2417 -10.2417 -9.7538 -9.7538 -2.1119 -2.1119 -0.9300 -0.9300 1.3636 1.3636 2.2360 2.2360 2.2723 2.2723 2.7119 2.7119 2.8870 2.8870 3.0255 3.0255 4.0109 4.0109 4.0642 4.0642 6.0537 6.0537 6.1739 6.1739 6.4379 6.4379 6.4881 6.4881 6.5134 6.5134 6.6176 6.6176 6.7866 6.7866 6.8487 6.8487 7.0029 7.0029 7.0118 7.0118 9.0755 9.0755 9.1474 9.1474 11.5698 11.5698 12.0612 12.0612 13.6483 13.6483 k = 0.0348 0.0603-0.0000 ( 2673 PWs) bands (ev): -12.0587 -12.0587 -11.7895 -11.7895 -10.2477 -10.2477 -9.7564 -9.7564 -2.1240 -2.1240 -0.9397 -0.9397 1.3833 1.3833 2.2470 2.2470 2.2746 2.2746 2.7351 2.7351 2.9283 2.9283 3.0363 3.0363 4.0057 4.0057 4.0528 4.0528 6.1148 6.1148 6.2156 6.2156 6.4390 6.4390 6.4847 6.4847 6.5096 6.5096 6.6149 6.6149 6.7578 6.7578 6.8185 6.8185 7.0020 7.0020 7.0078 7.0078 9.0905 9.0905 9.1554 9.1554 11.5248 11.5248 12.0073 12.0073 13.7021 13.7021 k = 0.0299 0.0517-0.0000 ( 2677 PWs) bands (ev): -12.0645 -12.0645 -11.7938 -11.7938 -10.2529 -10.2529 -9.7587 -9.7587 -2.1346 -2.1346 -0.9481 -0.9481 1.4006 1.4006 2.2565 2.2565 2.2766 2.2766 2.7557 2.7557 2.9648 2.9648 3.0457 3.0457 4.0006 4.0006 4.0427 4.0427 6.1741 6.1741 6.2564 6.2564 6.4399 6.4399 6.4805 6.4805 6.5066 6.5066 6.6123 6.6123 6.7283 6.7283 6.7861 6.7861 7.0012 7.0012 7.0052 7.0052 9.1034 9.1034 9.1630 9.1630 11.4852 11.4852 11.9595 11.9595 13.7503 13.7503 k = 0.0249 0.0431-0.0000 ( 2675 PWs) bands (ev): -12.0695 -12.0695 -11.7976 -11.7976 -10.2573 -10.2573 -9.7606 -9.7606 -2.1436 -2.1436 -0.9552 -0.9552 1.4156 1.4156 2.2643 2.2643 2.2782 2.2782 2.7738 2.7738 2.9962 2.9962 3.0537 3.0537 3.9958 3.9958 4.0341 4.0341 6.2313 6.2313 6.2959 6.2959 6.4408 6.4408 6.4762 6.4762 6.5042 6.5042 6.6097 6.6097 6.6988 6.6988 6.7523 6.7523 7.0006 7.0006 7.0036 7.0036 9.1143 9.1143 9.1700 9.1700 11.4515 11.4515 11.9185 11.9185 13.7924 13.7924 k = 0.0199 0.0345-0.0000 ( 2681 PWs) bands (ev): -12.0736 -12.0736 -11.8006 -11.8006 -10.2610 -10.2610 -9.7622 -9.7622 -2.1510 -2.1510 -0.9611 -0.9611 1.4280 1.4280 2.2705 2.2705 2.2795 2.2795 2.7888 2.7888 3.0221 3.0221 3.0605 3.0605 3.9912 3.9912 4.0273 4.0273 6.2861 6.2861 6.3339 6.3339 6.4414 6.4414 6.4721 6.4721 6.5018 6.5018 6.6059 6.6059 6.6702 6.6702 6.7177 6.7177 7.0001 7.0001 7.0026 7.0026 9.1228 9.1228 9.1763 9.1763 11.4236 11.4236 11.8844 11.8844 13.8273 13.8273 k = 0.0149 0.0259-0.0000 ( 2685 PWs) bands (ev): -12.0768 -12.0768 -11.8030 -11.8030 -10.2638 -10.2638 -9.7634 -9.7634 -2.1567 -2.1567 -0.9657 -0.9657 1.4377 1.4377 2.2753 2.2753 2.2806 2.2806 2.8008 2.8008 3.0421 3.0421 3.0662 3.0662 3.9872 3.9872 4.0223 4.0223 6.3378 6.3378 6.3696 6.3696 6.4421 6.4421 6.4686 6.4686 6.4987 6.4987 6.5985 6.5985 6.6454 6.6454 6.6836 6.6836 6.9999 6.9999 7.0020 7.0020 9.1293 9.1293 9.1816 9.1816 11.4018 11.4018 11.8576 11.8576 13.8542 13.8542 k = 0.0100 0.0172-0.0000 ( 2689 PWs) bands (ev): -12.0791 -12.0791 -11.8048 -11.8048 -10.2658 -10.2658 -9.7643 -9.7643 -2.1608 -2.1608 -0.9689 -0.9689 1.4447 1.4447 2.2785 2.2785 2.2815 2.2815 2.8094 2.8094 3.0556 3.0556 3.0713 3.0713 3.9840 3.9840 4.0188 4.0188 6.3847 6.3847 6.4019 6.4019 6.4428 6.4428 6.4660 6.4660 6.4941 6.4941 6.5828 6.5828 6.6299 6.6299 6.6528 6.6528 6.9998 6.9998 7.0016 7.0016 9.1337 9.1337 9.1856 9.1856 11.3861 11.3861 11.8383 11.8383 13.8721 13.8722 k = 0.0050 0.0086-0.0000 ( 2689 PWs) bands (ev): -12.0805 -12.0805 -11.8058 -11.8058 -10.2671 -10.2671 -9.7648 -9.7648 -2.1633 -2.1633 -0.9709 -0.9709 1.4490 1.4490 2.2801 2.2801 2.2823 2.2823 2.8147 2.8147 3.0625 3.0625 3.0755 3.0755 3.9820 3.9820 4.0167 4.0167 6.4217 6.4217 6.4279 6.4279 6.4457 6.4457 6.4644 6.4644 6.4864 6.4864 6.5619 6.5619 6.6232 6.6232 6.6306 6.6306 6.9998 6.9998 7.0014 7.0014 9.1363 9.1363 9.1881 9.1881 11.3767 11.3767 11.8267 11.8267 13.8818 13.8819 k = 0.0000 0.0000 0.0000 ( 2701 PWs) bands (ev): -12.0809 -12.0809 -11.8061 -11.8061 -10.2675 -10.2675 -9.7650 -9.7650 -2.1642 -2.1642 -0.9715 -0.9715 1.4504 1.4504 2.2805 2.2805 2.2827 2.2827 2.8164 2.8164 3.0645 3.0645 3.0772 3.0772 3.9811 3.9811 4.0158 4.0158 6.4348 6.4348 6.4368 6.4368 6.4581 6.4581 6.4603 6.4603 6.4793 6.4793 6.5505 6.5505 6.6193 6.6193 6.6242 6.6242 6.9997 6.9997 7.0013 7.0013 9.1371 9.1371 9.1889 9.1889 11.3735 11.3735 11.8228 11.8228 13.8846 13.8847 k = 0.0000 0.0000 0.0000 ( 2701 PWs) bands (ev): -12.0809 -12.0809 -11.8061 -11.8061 -10.2675 -10.2675 -9.7650 -9.7650 -2.1642 -2.1642 -0.9715 -0.9715 1.4504 1.4504 2.2805 2.2805 2.2827 2.2827 2.8164 2.8164 3.0645 3.0645 3.0772 3.0772 3.9811 3.9811 4.0158 4.0158 6.4348 6.4348 6.4368 6.4368 6.4581 6.4581 6.4603 6.4603 6.4793 6.4793 6.5505 6.5505 6.6193 6.6193 6.6242 6.6242 6.9997 6.9997 7.0013 7.0013 9.1371 9.1371 9.1889 9.1889 11.3735 11.3735 11.8228 11.8228 13.8846 13.8846 k = 0.0000 0.0000 0.0100 ( 2689 PWs) bands (ev): -12.0804 -12.0804 -11.8069 -11.8069 -10.2663 -10.2663 -9.7660 -9.7660 -2.1621 -2.1621 -0.9752 -0.9752 1.4544 1.4544 2.2815 2.2815 2.2837 2.2837 2.8141 2.8141 3.0605 3.0605 3.0731 3.0731 3.9872 3.9872 4.0218 4.0218 6.4042 6.4042 6.4328 6.4328 6.4350 6.4350 6.4638 6.4638 6.4960 6.4960 6.5508 6.5508 6.6194 6.6194 6.6283 6.6283 7.0174 7.0174 7.0175 7.0175 9.1341 9.1341 9.1858 9.1858 11.3748 11.3748 11.8221 11.8221 13.8862 13.8863 k = 0.0000 0.0000 0.0200 ( 2689 PWs) bands (ev): -12.0790 -12.0790 -11.8091 -11.8091 -10.2627 -10.2627 -9.7690 -9.7690 -2.1562 -2.1562 -0.9862 -0.9862 1.4664 1.4664 2.2845 2.2845 2.2866 2.2866 2.8069 2.8069 3.0489 3.0489 3.0608 3.0608 4.0047 4.0047 4.0386 4.0386 6.3427 6.3427 6.3771 6.3771 6.4353 6.4353 6.4643 6.4643 6.5131 6.5131 6.5508 6.5508 6.6196 6.6196 6.6354 6.6354 7.0618 7.0618 7.0652 7.0652 9.1248 9.1248 9.1763 9.1763 11.3785 11.3785 11.8202 11.8202 13.8906 13.8906 k = 0.0000 0.0000 0.0300 ( 2689 PWs) bands (ev): -12.0766 -12.0766 -11.8128 -11.8128 -10.2567 -10.2567 -9.7739 -9.7739 -2.1463 -2.1463 -1.0043 -1.0043 1.4861 1.4861 2.2894 2.2894 2.2915 2.2915 2.7949 2.7949 3.0305 3.0305 3.0414 3.0414 4.0327 4.0327 4.0657 4.0657 6.2681 6.2681 6.3033 6.3033 6.4357 6.4357 6.4642 6.4642 6.5235 6.5235 6.5508 6.5508 6.6198 6.6198 6.6407 6.6407 7.1259 7.1259 7.1334 7.1334 9.1095 9.1095 9.1606 9.1606 11.3846 11.3846 11.8169 11.8169 13.8979 13.8979 k = 0.0000 0.0000 0.0400 ( 2677 PWs) bands (ev): -12.0733 -12.0733 -11.8178 -11.8178 -10.2485 -10.2485 -9.7807 -9.7807 -2.1325 -2.1325 -1.0288 -1.0288 1.5129 1.5129 2.2962 2.2962 2.2983 2.2983 2.7784 2.7784 3.0063 3.0063 3.0161 3.0161 4.0701 4.0701 4.1021 4.1021 6.1855 6.1855 6.2197 6.2197 6.4363 6.4363 6.4641 6.4641 6.5299 6.5299 6.5509 6.5509 6.6202 6.6202 6.6438 6.6438 7.2026 7.2026 7.2136 7.2136 9.0882 9.0882 9.1388 9.1388 11.3930 11.3930 11.8123 11.8123 13.9081 13.9081 k = 0.0000 0.0000 0.0500 ( 2689 PWs) bands (ev): -12.0691 -12.0691 -11.8242 -11.8242 -10.2382 -10.2382 -9.7895 -9.7895 -2.1149 -2.1149 -1.0594 -1.0594 1.5464 1.5464 2.3050 2.3050 2.3070 2.3070 2.7572 2.7572 2.9775 2.9775 2.9861 2.9861 4.1155 4.1155 4.1463 4.1463 6.0977 6.0977 6.1306 6.1306 6.4369 6.4369 6.4638 6.4638 6.5337 6.5337 6.5506 6.5506 6.6205 6.6205 6.6454 6.6454 7.2864 7.2864 7.3006 7.3006 9.0610 9.0610 9.1110 9.1110 11.4036 11.4036 11.8063 11.8063 13.9207 13.9208 k = 0.0000 0.0000 0.0600 ( 2677 PWs) bands (ev): -12.0640 -12.0640 -11.8318 -11.8318 -10.2257 -10.2257 -9.8000 -9.8000 -2.0936 -2.0936 -1.0953 -1.0953 1.5858 1.5858 2.3157 2.3157 2.3177 2.3177 2.7315 2.7315 2.9454 2.9454 2.9528 2.9528 4.1678 4.1678 4.1976 4.1976 6.0069 6.0069 6.0384 6.0384 6.4381 6.4381 6.4633 6.4633 6.5362 6.5362 6.5506 6.5506 6.6213 6.6213 6.6460 6.6460 7.3748 7.3748 7.3916 7.3916 9.0282 9.0282 9.0773 9.0773 11.4163 11.4163 11.7990 11.7990 13.9357 13.9358 k = 0.0000 0.0000 0.0700 ( 2671 PWs) bands (ev): -12.0580 -12.0580 -11.8404 -11.8404 -10.2114 -10.2114 -9.8123 -9.8123 -2.0686 -2.0686 -1.1358 -1.1358 1.6306 1.6306 2.3284 2.3284 2.3302 2.3302 2.7016 2.7016 2.9107 2.9107 2.9171 2.9171 4.2258 4.2258 4.2546 4.2546 5.9142 5.9142 5.9445 5.9445 6.4393 6.4393 6.4628 6.4628 6.5380 6.5380 6.5505 6.5505 6.6221 6.6221 6.6460 6.6460 7.4656 7.4656 7.4848 7.4848 8.9898 8.9898 9.0380 9.0380 11.4308 11.4308 11.7903 11.7903 13.9530 13.9530 k = 0.0000 0.0000 0.0800 ( 2665 PWs) bands (ev): -12.0511 -12.0511 -11.8500 -11.8500 -10.1954 -10.1954 -9.8262 -9.8262 -2.0401 -2.0401 -1.1803 -1.1803 1.6798 1.6798 2.3429 2.3429 2.3447 2.3447 2.6675 2.6675 2.8746 2.8746 2.8799 2.8799 4.2887 4.2887 4.3166 4.3166 5.8205 5.8205 5.8498 5.8498 6.4404 6.4404 6.4623 6.4623 6.5394 6.5394 6.5502 6.5502 6.6229 6.6229 6.6456 6.6456 7.5578 7.5578 7.5790 7.5790 8.9462 8.9462 8.9934 8.9934 11.4471 11.4471 11.7802 11.7802 13.9724 13.9724 k = 0.0000 0.0000 0.0900 ( 2665 PWs) bands (ev): -12.0435 -12.0435 -11.8605 -11.8605 -10.1779 -10.1779 -9.8417 -9.8417 -2.0082 -2.0082 -1.2281 -1.2281 1.7327 1.7327 2.3593 2.3593 2.3610 2.3610 2.6295 2.6295 2.8375 2.8375 2.8419 2.8419 4.3557 4.3557 4.3828 4.3828 5.7264 5.7264 5.7547 5.7547 6.4417 6.4417 6.4615 6.4615 6.5404 6.5404 6.5499 6.5499 6.6238 6.6238 6.6448 6.6448 7.6505 7.6505 7.6735 7.6735 8.8975 8.8975 8.9436 8.9436 11.4649 11.4649 11.7688 11.7688 13.9934 13.9935 k = 0.0000 0.0000 0.1000 ( 2659 PWs) bands (ev): -12.0350 -12.0350 -11.8717 -11.8717 -10.1589 -10.1589 -9.8585 -9.8585 -1.9731 -1.9731 -1.2784 -1.2784 1.7886 1.7886 2.3777 2.3777 2.3792 2.3792 2.5878 2.5878 2.8000 2.8000 2.8036 2.8036 4.4264 4.4264 4.4528 4.4528 5.6322 5.6322 5.6597 5.6597 6.4430 6.4430 6.4607 6.4607 6.5413 6.5413 6.5496 6.5496 6.6249 6.6249 6.6438 6.6438 7.7431 7.7431 7.7679 7.7679 8.8441 8.8441 8.8890 8.8890 11.4839 11.4839 11.7560 11.7560 14.0161 14.0161 k = 0.0000 0.0000 0.1100 ( 2659 PWs) bands (ev): -12.0259 -12.0259 -11.8834 -11.8834 -10.1389 -10.1389 -9.8767 -9.8767 -1.9350 -1.9350 -1.3306 -1.3306 1.8470 1.8470 2.3978 2.3978 2.3992 2.3992 2.5426 2.5426 2.7627 2.7627 2.7656 2.7656 4.5001 4.5001 4.5261 4.5261 5.5383 5.5383 5.5651 5.5651 6.4444 6.4444 6.4598 6.4598 6.5422 6.5422 6.5492 6.5492 6.6259 6.6259 6.6426 6.6426 7.8352 7.8352 7.8616 7.8616 8.7861 8.7861 8.8297 8.8297 11.5040 11.5040 11.7418 11.7418 14.0400 14.0401 k = 0.0000 0.0000 0.1200 ( 2653 PWs) bands (ev): -12.0160 -12.0160 -11.8956 -11.8956 -10.1178 -10.1178 -9.8960 -9.8960 -1.8941 -1.8941 -1.3841 -1.3841 1.9071 1.9071 2.4198 2.4198 2.4211 2.4211 2.4943 2.4943 2.7259 2.7259 2.7281 2.7281 4.5767 4.5767 4.6022 4.6022 5.4449 5.4449 5.4712 5.4712 6.4458 6.4458 6.4589 6.4589 6.5429 6.5429 6.5488 6.5488 6.6271 6.6271 6.6413 6.6413 7.9264 7.9264 7.9543 7.9543 8.7238 8.7238 8.7661 8.7661 11.5249 11.5249 11.7264 11.7264 14.0650 14.0651 k = 0.0000 0.0000 0.1300 ( 2653 PWs) bands (ev): -12.0055 -12.0055 -11.9081 -11.9081 -10.0959 -10.0959 -9.9164 -9.9164 -1.8505 -1.8505 -1.4384 -1.4384 1.9684 1.9684 2.4430 2.4430 2.4436 2.4436 2.4446 2.4446 2.6896 2.6896 2.6913 2.6913 4.6557 4.6557 4.6809 4.6809 5.3521 5.3521 5.3780 5.3780 6.4473 6.4473 6.4578 6.4578 6.5436 6.5436 6.5484 6.5484 6.6284 6.6284 6.6399 6.6399 8.0163 8.0163 8.0458 8.0458 8.6575 8.6575 8.6985 8.6985 11.5463 11.5463 11.7097 11.7097 14.0907 14.0908 k = 0.0000 0.0000 0.1400 ( 2641 PWs) bands (ev): -11.9945 -11.9945 -11.9208 -11.9208 -10.0735 -10.0735 -9.9376 -9.9376 -1.8044 -1.8044 -1.4931 -1.4931 2.0303 2.0303 2.3891 2.3891 2.4692 2.4692 2.4700 2.4700 2.6544 2.6544 2.6556 2.6556 4.7369 4.7369 4.7619 4.7619 5.2604 5.2604 5.2859 5.2859 6.4488 6.4488 6.4567 6.4567 6.5444 6.5444 6.5479 6.5479 6.6298 6.6298 6.6384 6.6384 8.1048 8.1048 8.1358 8.1358 8.5876 8.5876 8.6272 8.6272 11.5680 11.5680 11.6918 11.6918 14.1170 14.1172 k = 0.0000 0.0000 0.1500 ( 2641 PWs) bands (ev): -11.9829 -11.9829 -11.9335 -11.9335 -10.0507 -10.0507 -9.9595 -9.9595 -1.7562 -1.7562 -1.5475 -1.5475 2.0924 2.0924 2.3329 2.3329 2.4964 2.4964 2.4969 2.4969 2.6202 2.6202 2.6209 2.6209 4.8201 4.8201 4.8450 4.8450 5.1696 5.1696 5.1948 5.1948 6.4502 6.4502 6.4556 6.4556 6.5451 6.5451 6.5474 6.5474 6.6311 6.6311 6.6370 6.6370 8.1914 8.1914 8.2239 8.2239 8.5140 8.5140 8.5523 8.5523 11.5897 11.5897 11.6729 11.6729 14.1434 14.1436 k = 0.0000 0.0000 0.1600 ( 2653 PWs) bands (ev): -11.9710 -11.9710 -11.9462 -11.9462 -10.0277 -10.0277 -9.9819 -9.9819 -1.7062 -1.7062 -1.6015 -1.6015 2.1541 2.1541 2.2747 2.2747 2.5252 2.5252 2.5255 2.5255 2.5872 2.5872 2.5876 2.5876 4.9051 4.9051 4.9300 4.9300 5.0800 5.0800 5.1051 5.1051 6.4515 6.4515 6.4542 6.4542 6.5456 6.5456 6.5468 6.5468 6.6324 6.6324 6.6354 6.6354 8.2758 8.2758 8.3098 8.3098 8.4374 8.4374 8.4743 8.4743 11.6113 11.6113 11.6531 11.6531 14.1698 14.1699 k = 0.0000 0.0000 0.1700 ( 2652 PWs) bands (ev): -11.9587 -11.9587 -11.9587 -11.9587 -10.0047 -10.0047 -10.0047 -10.0047 -1.6544 -1.6544 -1.6544 -1.6544 2.2150 2.2150 2.2150 2.2150 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 4.9918 4.9918 4.9918 4.9918 5.0167 5.0167 5.0167 5.0167 6.4529 6.4529 6.4529 6.4529 6.5462 6.5462 6.5462 6.5462 6.6339 6.6339 6.6339 6.6339 8.3580 8.3580 8.3580 8.3580 8.3933 8.3933 8.3933 8.3933 11.6325 11.6325 11.6325 11.6325 14.1960 14.1960 k = 0.0000 0.0000 0.1700 ( 2652 PWs) bands (ev): -11.9587 -11.9587 -11.9587 -11.9587 -10.0047 -10.0047 -10.0047 -10.0047 -1.6544 -1.6544 -1.6544 -1.6544 2.2150 2.2150 2.2150 2.2150 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 4.9918 4.9918 4.9918 4.9918 5.0167 5.0167 5.0167 5.0167 6.4529 6.4529 6.4529 6.4529 6.5462 6.5462 6.5462 6.5462 6.6339 6.6339 6.6339 6.6339 8.3580 8.3580 8.3580 8.3580 8.3933 8.3933 8.3933 8.3933 11.6325 11.6325 11.6325 11.6325 14.1961 14.1961 k = 0.0086 0.0050 0.1700 ( 2652 PWs) bands (ev): -11.9583 -11.9583 -11.9583 -11.9583 -10.0044 -10.0044 -10.0044 -10.0044 -1.6537 -1.6537 -1.6537 -1.6537 2.2123 2.2123 2.2123 2.2123 2.5552 2.5552 2.5552 2.5552 2.5559 2.5559 2.5559 2.5559 4.9908 4.9908 4.9908 4.9908 5.0157 5.0157 5.0157 5.0157 6.4532 6.4532 6.4532 6.4532 6.5465 6.5465 6.5465 6.5465 6.6343 6.6343 6.6343 6.6343 8.3573 8.3573 8.3573 8.3573 8.3927 8.3927 8.3927 8.3927 11.6360 11.6360 11.6360 11.6360 14.1939 14.1940 k = 0.0172 0.0100 0.1700 ( 2654 PWs) bands (ev): -11.9571 -11.9571 -11.9571 -11.9571 -10.0036 -10.0036 -10.0036 -10.0036 -1.6516 -1.6516 -1.6516 -1.6516 2.2043 2.2043 2.2043 2.2043 2.5544 2.5544 2.5544 2.5544 2.5563 2.5563 2.5563 2.5563 4.9874 4.9874 4.9874 4.9874 5.0129 5.0129 5.0129 5.0129 6.4541 6.4541 6.4541 6.4541 6.5473 6.5473 6.5473 6.5473 6.6354 6.6354 6.6354 6.6354 8.3552 8.3552 8.3552 8.3552 8.3910 8.3910 8.3910 8.3910 11.6465 11.6465 11.6465 11.6465 14.1858 14.1858 k = 0.0259 0.0149 0.1700 ( 2656 PWs) bands (ev): -11.9550 -11.9550 -11.9550 -11.9550 -10.0022 -10.0022 -10.0022 -10.0022 -1.6480 -1.6480 -1.6480 -1.6480 2.1914 2.1914 2.1914 2.1914 2.5531 2.5531 2.5531 2.5531 2.5565 2.5565 2.5565 2.5565 4.9814 4.9814 4.9814 4.9814 5.0087 5.0087 5.0087 5.0087 6.4556 6.4556 6.4556 6.4556 6.5487 6.5487 6.5487 6.5487 6.6373 6.6373 6.6373 6.6373 8.3515 8.3515 8.3515 8.3515 8.3883 8.3883 8.3883 8.3883 11.6639 11.6639 11.6639 11.6639 14.1709 14.1710 k = 0.0345 0.0199 0.1700 ( 2654 PWs) bands (ev): -11.9521 -11.9521 -11.9521 -11.9521 -10.0002 -10.0002 -10.0002 -10.0002 -1.6430 -1.6430 -1.6430 -1.6430 2.1738 2.1738 2.1738 2.1738 2.5514 2.5514 2.5514 2.5514 2.5564 2.5564 2.5564 2.5564 4.9724 4.9724 4.9724 4.9724 5.0037 5.0037 5.0037 5.0037 6.4575 6.4575 6.4575 6.4575 6.5507 6.5507 6.5507 6.5507 6.6401 6.6401 6.6401 6.6401 8.3462 8.3462 8.3462 8.3462 8.3849 8.3849 8.3849 8.3849 11.6880 11.6880 11.6880 11.6880 14.1499 14.1499 k = 0.0431 0.0249 0.1700 ( 2658 PWs) bands (ev): -11.9484 -11.9484 -11.9484 -11.9484 -9.9977 -9.9977 -9.9977 -9.9977 -1.6366 -1.6366 -1.6366 -1.6366 2.1522 2.1522 2.1522 2.1522 2.5489 2.5489 2.5489 2.5489 2.5553 2.5553 2.5553 2.5553 4.9603 4.9603 4.9603 4.9603 4.9981 4.9981 4.9981 4.9981 6.4597 6.4597 6.4597 6.4597 6.5531 6.5531 6.5531 6.5531 6.6437 6.6437 6.6437 6.6437 8.3389 8.3389 8.3389 8.3389 8.3811 8.3811 8.3811 8.3811 11.7188 11.7188 11.7188 11.7188 14.1230 14.1230 k = 0.0517 0.0299 0.1700 ( 2658 PWs) bands (ev): -11.9440 -11.9440 -11.9440 -11.9440 -9.9946 -9.9946 -9.9946 -9.9946 -1.6287 -1.6287 -1.6287 -1.6287 2.1267 2.1267 2.1267 2.1267 2.5461 2.5461 2.5461 2.5461 2.5531 2.5531 2.5531 2.5531 4.9454 4.9454 4.9454 4.9454 4.9920 4.9920 4.9920 4.9920 6.4619 6.4619 6.4619 6.4619 6.5561 6.5561 6.5561 6.5561 6.6482 6.6482 6.6482 6.6482 8.3299 8.3299 8.3299 8.3299 8.3770 8.3770 8.3770 8.3770 11.7561 11.7561 11.7561 11.7561 14.0907 14.0907 k = 0.0603 0.0348 0.1700 ( 2662 PWs) bands (ev): -11.9387 -11.9387 -11.9387 -11.9387 -9.9910 -9.9910 -9.9910 -9.9910 -1.6195 -1.6195 -1.6195 -1.6195 2.0979 2.0979 2.0979 2.0979 2.5427 2.5427 2.5427 2.5427 2.5492 2.5492 2.5492 2.5492 4.9278 4.9278 4.9278 4.9278 4.9855 4.9855 4.9855 4.9855 6.4640 6.4640 6.4640 6.4640 6.5596 6.5596 6.5596 6.5596 6.6536 6.6536 6.6536 6.6536 8.3191 8.3191 8.3191 8.3191 8.3728 8.3728 8.3728 8.3728 11.7995 11.7995 11.7995 11.7995 14.0530 14.0530 k = 0.0690 0.0398 0.1700 ( 2658 PWs) bands (ev): -11.9326 -11.9326 -11.9326 -11.9326 -9.9868 -9.9868 -9.9868 -9.9868 -1.6089 -1.6089 -1.6089 -1.6089 2.0662 2.0662 2.0662 2.0662 2.5386 2.5386 2.5386 2.5386 2.5437 2.5437 2.5437 2.5437 4.9079 4.9079 4.9079 4.9079 4.9785 4.9785 4.9785 4.9785 6.4657 6.4657 6.4657 6.4657 6.5637 6.5637 6.5637 6.5637 6.6600 6.6600 6.6600 6.6600 8.3067 8.3067 8.3067 8.3067 8.3684 8.3684 8.3684 8.3684 11.8489 11.8489 11.8489 11.8489 14.0106 14.0106 k = 0.0776 0.0448 0.1700 ( 2654 PWs) bands (ev): -11.9258 -11.9258 -11.9258 -11.9258 -9.9821 -9.9821 -9.9821 -9.9821 -1.5968 -1.5968 -1.5968 -1.5968 2.0319 2.0319 2.0319 2.0319 2.5327 2.5327 2.5327 2.5327 2.5372 2.5372 2.5372 2.5372 4.8861 4.8861 4.8861 4.8861 4.9710 4.9710 4.9710 4.9710 6.4670 6.4670 6.4670 6.4670 6.5683 6.5683 6.5683 6.5683 6.6672 6.6672 6.6672 6.6672 8.2930 8.2930 8.2930 8.2930 8.3640 8.3640 8.3640 8.3640 11.9040 11.9040 11.9040 11.9040 13.9634 13.9634 k = 0.0862 0.0498 0.1700 ( 2654 PWs) bands (ev): -11.9182 -11.9182 -11.9182 -11.9182 -9.9769 -9.9769 -9.9769 -9.9769 -1.5835 -1.5835 -1.5835 -1.5835 1.9951 1.9951 1.9951 1.9951 2.5233 2.5233 2.5233 2.5233 2.5314 2.5314 2.5314 2.5314 4.8626 4.8626 4.8626 4.8626 4.9629 4.9629 4.9629 4.9629 6.4676 6.4676 6.4676 6.4676 6.5736 6.5736 6.5736 6.5736 6.6752 6.6752 6.6752 6.6752 8.2782 8.2782 8.2782 8.2782 8.3593 8.3593 8.3593 8.3593 11.9643 11.9643 11.9643 11.9643 13.9119 13.9120 k = 0.0948 0.0547 0.1700 ( 2654 PWs) bands (ev): -11.9099 -11.9099 -11.9099 -11.9099 -9.9712 -9.9712 -9.9712 -9.9712 -1.5687 -1.5687 -1.5687 -1.5687 1.9563 1.9563 1.9563 1.9563 2.5106 2.5106 2.5106 2.5106 2.5259 2.5259 2.5259 2.5259 4.8377 4.8377 4.8377 4.8377 4.9544 4.9544 4.9544 4.9544 6.4675 6.4675 6.4675 6.4675 6.5794 6.5794 6.5794 6.5794 6.6839 6.6839 6.6839 6.6839 8.2627 8.2627 8.2627 8.2627 8.3543 8.3543 8.3543 8.3543 12.0297 12.0297 12.0297 12.0297 13.8565 13.8565 k = 0.1034 0.0597 0.1700 ( 2660 PWs) bands (ev): -11.9008 -11.9008 -11.9008 -11.9008 -9.9651 -9.9651 -9.9651 -9.9651 -1.5527 -1.5527 -1.5527 -1.5527 1.9154 1.9154 1.9154 1.9154 2.4952 2.4952 2.4952 2.4952 2.5201 2.5201 2.5201 2.5201 4.8115 4.8115 4.8115 4.8115 4.9455 4.9455 4.9455 4.9455 6.4665 6.4665 6.4665 6.4665 6.5857 6.5857 6.5857 6.5857 6.6932 6.6932 6.6932 6.6932 8.2464 8.2464 8.2464 8.2464 8.3492 8.3492 8.3492 8.3492 12.0997 12.0997 12.0997 12.0997 13.7974 13.7974 k = 0.1121 0.0647 0.1700 ( 2664 PWs) bands (ev): -11.8911 -11.8911 -11.8911 -11.8911 -9.9584 -9.9584 -9.9584 -9.9584 -1.5354 -1.5354 -1.5354 -1.5354 1.8727 1.8727 1.8727 1.8727 2.4772 2.4772 2.4772 2.4772 2.5139 2.5139 2.5139 2.5139 4.7842 4.7842 4.7842 4.7842 4.9363 4.9363 4.9363 4.9363 6.4649 6.4649 6.4649 6.4649 6.5926 6.5926 6.5926 6.5926 6.7030 6.7030 6.7030 6.7030 8.2299 8.2299 8.2299 8.2299 8.3437 8.3437 8.3437 8.3437 12.1739 12.1739 12.1739 12.1739 13.7352 13.7352 k = 0.1207 0.0697 0.1700 ( 2668 PWs) bands (ev): -11.8807 -11.8807 -11.8807 -11.8807 -9.9513 -9.9513 -9.9513 -9.9513 -1.5168 -1.5168 -1.5168 -1.5168 1.8283 1.8283 1.8283 1.8283 2.4566 2.4566 2.4566 2.4566 2.5073 2.5073 2.5073 2.5073 4.7559 4.7559 4.7559 4.7559 4.9267 4.9267 4.9267 4.9267 6.4625 6.4625 6.4625 6.4625 6.6000 6.6000 6.6000 6.6000 6.7133 6.7133 6.7133 6.7133 8.2135 8.2135 8.2135 8.2135 8.3380 8.3380 8.3380 8.3380 12.2521 12.2521 12.2521 12.2521 13.6701 13.6701 k = 0.1293 0.0747 0.1700 ( 2668 PWs) bands (ev): -11.8697 -11.8697 -11.8697 -11.8697 -9.9438 -9.9438 -9.9438 -9.9438 -1.4969 -1.4969 -1.4969 -1.4969 1.7824 1.7824 1.7824 1.7824 2.4336 2.4336 2.4336 2.4336 2.5003 2.5003 2.5003 2.5003 4.7269 4.7269 4.7269 4.7269 4.9169 4.9169 4.9169 4.9169 6.4596 6.4596 6.4596 6.4596 6.6078 6.6078 6.6078 6.6078 6.7239 6.7239 6.7239 6.7239 8.1970 8.1970 8.1970 8.1970 8.3321 8.3321 8.3321 8.3321 12.3336 12.3336 12.3336 12.3336 13.6025 13.6025 k = 0.1379 0.0796 0.1700 ( 2664 PWs) bands (ev): -11.8580 -11.8580 -11.8580 -11.8580 -9.9358 -9.9358 -9.9358 -9.9358 -1.4758 -1.4758 -1.4758 -1.4758 1.7351 1.7351 1.7351 1.7351 2.4084 2.4084 2.4084 2.4084 2.4929 2.4929 2.4929 2.4929 4.6971 4.6971 4.6971 4.6971 4.9069 4.9069 4.9069 4.9069 6.4560 6.4560 6.4560 6.4560 6.6160 6.6160 6.6160 6.6160 6.7348 6.7348 6.7348 6.7348 8.1809 8.1809 8.1809 8.1809 8.3260 8.3260 8.3260 8.3260 12.4181 12.4181 12.4181 12.4181 13.5329 13.5329 k = 0.1466 0.0846 0.1700 ( 2656 PWs) bands (ev): -11.8457 -11.8457 -11.8457 -11.8457 -9.9275 -9.9275 -9.9275 -9.9275 -1.4534 -1.4534 -1.4534 -1.4534 1.6865 1.6865 1.6865 1.6865 2.3811 2.3811 2.3811 2.3811 2.4851 2.4851 2.4851 2.4851 4.6667 4.6667 4.6667 4.6667 4.8969 4.8969 4.8969 4.8969 6.4519 6.4519 6.4519 6.4519 6.6246 6.6246 6.6246 6.6246 6.7460 6.7460 6.7460 6.7460 8.1653 8.1653 8.1653 8.1653 8.3197 8.3197 8.3197 8.3197 12.5050 12.5050 12.5050 12.5050 13.4617 13.4617 k = 0.1552 0.0896 0.1700 ( 2660 PWs) bands (ev): -11.8329 -11.8329 -11.8329 -11.8329 -9.9188 -9.9188 -9.9188 -9.9188 -1.4300 -1.4300 -1.4300 -1.4300 1.6366 1.6366 1.6366 1.6366 2.3518 2.3518 2.3518 2.3518 2.4769 2.4769 2.4769 2.4769 4.6354 4.6354 4.6354 4.6354 4.8867 4.8867 4.8867 4.8867 6.4473 6.4473 6.4473 6.4473 6.6332 6.6332 6.6332 6.6332 6.7573 6.7573 6.7573 6.7573 8.1503 8.1503 8.1503 8.1503 8.3131 8.3131 8.3131 8.3131 12.5935 12.5935 12.5935 12.5935 13.3894 13.3894 k = 0.1638 0.0946 0.1700 ( 2654 PWs) bands (ev): -11.8195 -11.8195 -11.8195 -11.8195 -9.9097 -9.9097 -9.9097 -9.9097 -1.4054 -1.4054 -1.4054 -1.4054 1.5856 1.5856 1.5856 1.5856 2.3208 2.3208 2.3208 2.3208 2.4683 2.4683 2.4683 2.4683 4.6034 4.6034 4.6034 4.6034 4.8766 4.8766 4.8766 4.8766 6.4423 6.4423 6.4423 6.4423 6.6421 6.6421 6.6421 6.6421 6.7688 6.7688 6.7688 6.7688 8.1363 8.1363 8.1363 8.1363 8.3064 8.3064 8.3064 8.3064 12.6826 12.6826 12.6826 12.6826 13.3172 13.3172 k = 0.1724 0.0995 0.1700 ( 2654 PWs) bands (ev): -11.8057 -11.8057 -11.8057 -11.8057 -9.9003 -9.9003 -9.9003 -9.9003 -1.3797 -1.3797 -1.3797 -1.3797 1.5336 1.5336 1.5336 1.5336 2.2882 2.2882 2.2882 2.2882 2.4594 2.4594 2.4594 2.4594 4.5706 4.5706 4.5706 4.5706 4.8665 4.8665 4.8665 4.8665 6.4370 6.4370 6.4370 6.4370 6.6511 6.6511 6.6511 6.6511 6.7804 6.7804 6.7804 6.7804 8.1231 8.1231 8.1231 8.1231 8.2994 8.2994 8.2994 8.2994 12.7701 12.7701 12.7701 12.7701 13.2468 13.2468 k = 0.1810 0.1045 0.1700 ( 2650 PWs) bands (ev): -11.7913 -11.7913 -11.7913 -11.7913 -9.8906 -9.8906 -9.8906 -9.8906 -1.3529 -1.3529 -1.3529 -1.3529 1.4805 1.4805 1.4805 1.4805 2.2544 2.2544 2.2544 2.2544 2.4501 2.4501 2.4501 2.4501 4.5372 4.5372 4.5372 4.5372 4.8565 4.8565 4.8565 4.8565 6.4313 6.4313 6.4313 6.4313 6.6602 6.6602 6.6602 6.6602 6.7920 6.7920 6.7920 6.7920 8.1110 8.1110 8.1110 8.1110 8.2923 8.2923 8.2923 8.2923 12.8508 12.8508 12.8508 12.8508 13.1836 13.1836 k = 0.1897 0.1095 0.1700 ( 2646 PWs) bands (ev): -11.7766 -11.7766 -11.7766 -11.7766 -9.8807 -9.8807 -9.8807 -9.8807 -1.3251 -1.3251 -1.3251 -1.3251 1.4267 1.4267 1.4267 1.4267 2.2194 2.2194 2.2194 2.2194 2.4406 2.4406 2.4406 2.4406 4.5031 4.5031 4.5031 4.5031 4.8467 4.8467 4.8467 4.8467 6.4255 6.4255 6.4255 6.4255 6.6693 6.6693 6.6693 6.6693 6.8038 6.8038 6.8038 6.8038 8.1001 8.1001 8.1001 8.1001 8.2850 8.2850 8.2850 8.2850 12.9080 12.9080 12.9080 12.9080 13.1439 13.1439 k = 0.1983 0.1145 0.1700 ( 2650 PWs) bands (ev): -11.7615 -11.7615 -11.7615 -11.7615 -9.8705 -9.8705 -9.8705 -9.8705 -1.2964 -1.2964 -1.2964 -1.2964 1.3720 1.3720 1.3720 1.3720 2.1835 2.1835 2.1835 2.1835 2.4307 2.4307 2.4307 2.4307 4.4682 4.4682 4.4682 4.4682 4.8371 4.8371 4.8371 4.8371 6.4193 6.4193 6.4193 6.4193 6.6783 6.6783 6.6783 6.6783 6.8154 6.8154 6.8154 6.8154 8.0904 8.0904 8.0904 8.0904 8.2774 8.2774 8.2774 8.2774 12.9083 12.9083 12.9083 12.9083 13.1609 13.1609 k = 0.2069 0.1195 0.1700 ( 2648 PWs) bands (ev): -11.7460 -11.7460 -11.7460 -11.7460 -9.8600 -9.8600 -9.8600 -9.8600 -1.2668 -1.2668 -1.2668 -1.2668 1.3167 1.3167 1.3167 1.3167 2.1470 2.1470 2.1470 2.1470 2.4207 2.4207 2.4207 2.4207 4.4326 4.4326 4.4326 4.4326 4.8276 4.8276 4.8276 4.8276 6.4130 6.4130 6.4130 6.4130 6.6874 6.6874 6.6874 6.6874 6.8272 6.8272 6.8272 6.8272 8.0820 8.0820 8.0820 8.0820 8.2698 8.2698 8.2698 8.2698 12.8586 12.8586 12.8586 12.8586 13.2276 13.2276 k = 0.2155 0.1244 0.1700 ( 2648 PWs) bands (ev): -11.7302 -11.7302 -11.7302 -11.7302 -9.8494 -9.8494 -9.8494 -9.8494 -1.2362 -1.2362 -1.2362 -1.2362 1.2608 1.2608 1.2608 1.2608 2.1101 2.1101 2.1101 2.1101 2.4104 2.4104 2.4104 2.4104 4.3963 4.3963 4.3963 4.3963 4.8183 4.8183 4.8183 4.8183 6.4066 6.4066 6.4066 6.4066 6.6964 6.6964 6.6964 6.6964 6.8388 6.8388 6.8388 6.8388 8.0750 8.0750 8.0750 8.0750 8.2621 8.2621 8.2621 8.2621 12.7902 12.7902 12.7902 12.7902 13.3124 13.3124 k = 0.2241 0.1294 0.1700 ( 2656 PWs) bands (ev): -11.7141 -11.7141 -11.7141 -11.7141 -9.8386 -9.8386 -9.8386 -9.8386 -1.2049 -1.2049 -1.2049 -1.2049 1.2045 1.2045 1.2045 1.2045 2.0728 2.0728 2.0728 2.0728 2.3998 2.3998 2.3998 2.3998 4.3591 4.3591 4.3591 4.3591 4.8092 4.8092 4.8092 4.8092 6.4001 6.4001 6.4001 6.4001 6.7052 6.7052 6.7052 6.7052 6.8504 6.8504 6.8504 6.8504 8.0694 8.0694 8.0694 8.0694 8.2541 8.2541 8.2541 8.2541 12.7154 12.7154 12.7154 12.7154 13.4027 13.4027 k = 0.2328 0.1344 0.1700 ( 2656 PWs) bands (ev): -11.6979 -11.6979 -11.6979 -11.6979 -9.8277 -9.8277 -9.8277 -9.8277 -1.1728 -1.1728 -1.1728 -1.1728 1.1478 1.1478 1.1478 1.1478 2.0355 2.0355 2.0355 2.0355 2.3891 2.3891 2.3891 2.3891 4.3215 4.3215 4.3215 4.3215 4.8005 4.8005 4.8005 4.8005 6.3934 6.3934 6.3934 6.3934 6.7141 6.7141 6.7141 6.7141 6.8619 6.8619 6.8619 6.8619 8.0652 8.0652 8.0652 8.0652 8.2462 8.2462 8.2462 8.2462 12.6381 12.6381 12.6381 12.6381 13.4944 13.4944 k = 0.2414 0.1394 0.1700 ( 2654 PWs) bands (ev): -11.6814 -11.6814 -11.6814 -11.6814 -9.8167 -9.8167 -9.8167 -9.8167 -1.1399 -1.1399 -1.1399 -1.1399 1.0910 1.0910 1.0910 1.0910 1.9983 1.9983 1.9983 1.9983 2.3783 2.3783 2.3783 2.3783 4.2831 4.2831 4.2831 4.2831 4.7920 4.7920 4.7920 4.7920 6.3868 6.3868 6.3868 6.3868 6.7228 6.7228 6.7228 6.7228 6.8732 6.8732 6.8732 6.8732 8.0625 8.0625 8.0625 8.0625 8.2383 8.2383 8.2383 8.2383 12.5598 12.5598 12.5598 12.5598 13.5859 13.5859 k = 0.2500 0.1443 0.1700 ( 2658 PWs) bands (ev): -11.6648 -11.6648 -11.6648 -11.6648 -9.8056 -9.8056 -9.8056 -9.8056 -1.1065 -1.1065 -1.1065 -1.1065 1.0341 1.0341 1.0341 1.0341 1.9612 1.9612 1.9612 1.9612 2.3674 2.3674 2.3674 2.3674 4.2442 4.2442 4.2442 4.2442 4.7838 4.7838 4.7838 4.7838 6.3800 6.3800 6.3800 6.3800 6.7314 6.7314 6.7314 6.7314 6.8843 6.8843 6.8843 6.8843 8.0612 8.0612 8.0612 8.0612 8.2302 8.2302 8.2302 8.2302 12.4812 12.4812 12.4812 12.4812 13.6759 13.6759 k = 0.2586 0.1493 0.1700 ( 2666 PWs) bands (ev): -11.6482 -11.6482 -11.6482 -11.6482 -9.7945 -9.7945 -9.7945 -9.7945 -1.0724 -1.0724 -1.0724 -1.0724 0.9772 0.9772 0.9772 0.9772 1.9245 1.9245 1.9245 1.9245 2.3564 2.3564 2.3564 2.3564 4.2048 4.2048 4.2048 4.2048 4.7758 4.7758 4.7758 4.7758 6.3733 6.3733 6.3733 6.3733 6.7398 6.7398 6.7398 6.7398 6.8953 6.8953 6.8953 6.8953 8.0613 8.0613 8.0613 8.0613 8.2221 8.2221 8.2221 8.2221 12.4028 12.4028 12.4028 12.4028 13.7638 13.7638 k = 0.2672 0.1543 0.1700 ( 2656 PWs) bands (ev): -11.6314 -11.6314 -11.6314 -11.6314 -9.7834 -9.7834 -9.7834 -9.7834 -1.0379 -1.0379 -1.0379 -1.0379 0.9206 0.9206 0.9206 0.9206 1.8884 1.8884 1.8884 1.8884 2.3454 2.3454 2.3454 2.3454 4.1650 4.1650 4.1650 4.1650 4.7683 4.7683 4.7683 4.7683 6.3667 6.3667 6.3667 6.3667 6.7483 6.7483 6.7483 6.7483 6.9060 6.9060 6.9060 6.9060 8.0629 8.0629 8.0629 8.0629 8.2141 8.2141 8.2141 8.2141 12.3249 12.3249 12.3249 12.3249 13.8015 13.8015 k = 0.2759 0.1593 0.1700 ( 2650 PWs) bands (ev): -11.6147 -11.6147 -11.6147 -11.6147 -9.7723 -9.7723 -9.7723 -9.7723 -1.0028 -1.0028 -1.0028 -1.0028 0.8643 0.8643 0.8643 0.8643 1.8528 1.8528 1.8528 1.8528 2.3345 2.3345 2.3345 2.3345 4.1249 4.1249 4.1249 4.1249 4.7611 4.7611 4.7611 4.7611 6.3601 6.3601 6.3601 6.3601 6.7566 6.7566 6.7566 6.7566 6.9164 6.9164 6.9164 6.9164 8.0658 8.0658 8.0658 8.0658 8.2061 8.2061 8.2061 8.2061 12.2478 12.2478 12.2478 12.2478 13.7843 13.7843 k = 0.2845 0.1642 0.1700 ( 2652 PWs) bands (ev): -11.5981 -11.5981 -11.5981 -11.5981 -9.7612 -9.7612 -9.7612 -9.7612 -0.9675 -0.9675 -0.9675 -0.9675 0.8084 0.8084 0.8084 0.8084 1.8179 1.8179 1.8179 1.8179 2.3235 2.3235 2.3235 2.3235 4.0845 4.0845 4.0845 4.0845 4.7542 4.7542 4.7542 4.7542 6.3535 6.3535 6.3535 6.3535 6.7646 6.7646 6.7646 6.7646 6.9264 6.9264 6.9264 6.9264 8.0698 8.0698 8.0698 8.0698 8.1982 8.1982 8.1982 8.1982 12.1717 12.1717 12.1717 12.1717 13.7671 13.7671 k = 0.2931 0.1692 0.1700 ( 2652 PWs) bands (ev): -11.5816 -11.5816 -11.5816 -11.5816 -9.7503 -9.7503 -9.7503 -9.7503 -0.9318 -0.9318 -0.9318 -0.9318 0.7531 0.7531 0.7531 0.7531 1.7837 1.7837 1.7837 1.7837 2.3127 2.3127 2.3127 2.3127 4.0441 4.0441 4.0441 4.0441 4.7476 4.7476 4.7476 4.7476 6.3470 6.3470 6.3470 6.3470 6.7726 6.7726 6.7726 6.7726 6.9360 6.9360 6.9360 6.9360 8.0750 8.0750 8.0750 8.0750 8.1906 8.1906 8.1906 8.1906 12.0968 12.0968 12.0968 12.0968 13.7503 13.7503 k = 0.3017 0.1742 0.1700 ( 2648 PWs) bands (ev): -11.5652 -11.5652 -11.5652 -11.5652 -9.7395 -9.7395 -9.7395 -9.7395 -0.8959 -0.8959 -0.8959 -0.8959 0.6986 0.6986 0.6986 0.6986 1.7504 1.7504 1.7504 1.7504 2.3019 2.3019 2.3019 2.3019 4.0038 4.0038 4.0038 4.0038 4.7413 4.7413 4.7413 4.7413 6.3407 6.3407 6.3407 6.3407 6.7804 6.7804 6.7804 6.7804 6.9451 6.9451 6.9451 6.9451 8.0811 8.0811 8.0811 8.0811 8.1833 8.1833 8.1833 8.1833 12.0233 12.0233 12.0233 12.0233 13.7338 13.7338 k = 0.3103 0.1792 0.1700 ( 2648 PWs) bands (ev): -11.5491 -11.5491 -11.5491 -11.5491 -9.7288 -9.7288 -9.7288 -9.7288 -0.8599 -0.8599 -0.8599 -0.8599 0.6449 0.6449 0.6449 0.6449 1.7179 1.7179 1.7179 1.7179 2.2913 2.2913 2.2913 2.2913 3.9636 3.9636 3.9636 3.9636 4.7354 4.7354 4.7354 4.7354 6.3344 6.3344 6.3344 6.3344 6.7880 6.7880 6.7880 6.7880 6.9538 6.9538 6.9538 6.9538 8.0878 8.0878 8.0878 8.0878 8.1766 8.1766 8.1766 8.1766 11.9513 11.9513 11.9513 11.9513 13.7178 13.7178 k = 0.3190 0.1842 0.1700 ( 2648 PWs) bands (ev): -11.5332 -11.5332 -11.5332 -11.5332 -9.7183 -9.7183 -9.7183 -9.7183 -0.8238 -0.8238 -0.8238 -0.8238 0.5922 0.5922 0.5922 0.5922 1.6865 1.6865 1.6865 1.6865 2.2809 2.2809 2.2809 2.2809 3.9237 3.9237 3.9237 3.9237 4.7297 4.7297 4.7297 4.7297 6.3283 6.3283 6.3283 6.3283 6.7954 6.7954 6.7954 6.7954 6.9620 6.9620 6.9620 6.9620 8.0946 8.0946 8.0946 8.0946 8.1708 8.1708 8.1708 8.1708 11.8811 11.8811 11.8811 11.8811 13.7022 13.7022 k = 0.3276 0.1891 0.1700 ( 2654 PWs) bands (ev): -11.5177 -11.5177 -11.5177 -11.5177 -9.7081 -9.7081 -9.7081 -9.7081 -0.7878 -0.7878 -0.7878 -0.7878 0.5406 0.5406 0.5406 0.5406 1.6560 1.6560 1.6560 1.6560 2.2707 2.2707 2.2707 2.2707 3.8842 3.8842 3.8842 3.8842 4.7244 4.7244 4.7244 4.7244 6.3222 6.3222 6.3222 6.3222 6.8026 6.8026 6.8026 6.8026 6.9697 6.9697 6.9697 6.9697 8.1008 8.1008 8.1008 8.1008 8.1667 8.1667 8.1667 8.1667 11.8126 11.8126 11.8126 11.8126 13.6872 13.6872 k = 0.3362 0.1941 0.1700 ( 2666 PWs) bands (ev): -11.5025 -11.5025 -11.5025 -11.5025 -9.6981 -9.6981 -9.6981 -9.6981 -0.7519 -0.7519 -0.7519 -0.7519 0.4903 0.4903 0.4903 0.4903 1.6265 1.6265 1.6265 1.6265 2.2607 2.2607 2.2607 2.2607 3.8453 3.8453 3.8453 3.8453 4.7193 4.7193 4.7193 4.7193 6.3164 6.3164 6.3164 6.3164 6.8096 6.8096 6.8096 6.8096 6.9768 6.9768 6.9768 6.9768 8.1053 8.1053 8.1053 8.1053 8.1651 8.1651 8.1651 8.1651 11.7463 11.7463 11.7463 11.7463 13.6726 13.6726 k = 0.3448 0.1991 0.1700 ( 2658 PWs) bands (ev): -11.4878 -11.4878 -11.4878 -11.4878 -9.6884 -9.6884 -9.6884 -9.6884 -0.7163 -0.7163 -0.7163 -0.7163 0.4413 0.4413 0.4413 0.4413 1.5983 1.5983 1.5983 1.5983 2.2510 2.2510 2.2510 2.2510 3.8073 3.8073 3.8073 3.8073 4.7146 4.7146 4.7146 4.7146 6.3109 6.3109 6.3109 6.3109 6.8164 6.8164 6.8164 6.8164 6.9836 6.9836 6.9836 6.9836 8.1071 8.1071 8.1071 8.1071 8.1674 8.1674 8.1674 8.1674 11.6821 11.6821 11.6821 11.6821 13.6586 13.6586 k = 0.3534 0.2041 0.1700 ( 2656 PWs) bands (ev): -11.4735 -11.4735 -11.4735 -11.4735 -9.6791 -9.6791 -9.6791 -9.6791 -0.6809 -0.6809 -0.6809 -0.6809 0.3937 0.3937 0.3937 0.3937 1.5711 1.5711 1.5711 1.5711 2.2417 2.2417 2.2417 2.2417 3.7701 3.7701 3.7701 3.7701 4.7102 4.7102 4.7102 4.7102 6.3054 6.3054 6.3054 6.3054 6.8231 6.8231 6.8231 6.8231 6.9898 6.9898 6.9898 6.9898 8.1058 8.1058 8.1058 8.1058 8.1734 8.1734 8.1734 8.1734 11.6203 11.6203 11.6203 11.6203 13.6452 13.6452 k = 0.3621 0.2090 0.1700 ( 2660 PWs) bands (ev): -11.4597 -11.4597 -11.4597 -11.4597 -9.6700 -9.6700 -9.6700 -9.6700 -0.6460 -0.6460 -0.6460 -0.6460 0.3477 0.3477 0.3477 0.3477 1.5451 1.5451 1.5451 1.5451 2.2327 2.2327 2.2327 2.2327 3.7341 3.7341 3.7341 3.7341 4.7060 4.7060 4.7060 4.7060 6.3002 6.3002 6.3002 6.3002 6.8294 6.8294 6.8294 6.8294 6.9954 6.9954 6.9954 6.9954 8.1022 8.1022 8.1022 8.1022 8.1824 8.1824 8.1824 8.1824 11.5608 11.5608 11.5608 11.5608 13.6324 13.6324 k = 0.3707 0.2140 0.1700 ( 2660 PWs) bands (ev): -11.4465 -11.4465 -11.4465 -11.4465 -9.6614 -9.6614 -9.6614 -9.6614 -0.6115 -0.6115 -0.6115 -0.6115 0.3033 0.3033 0.3033 0.3033 1.5204 1.5204 1.5204 1.5204 2.2240 2.2240 2.2240 2.2240 3.6992 3.6992 3.6992 3.6992 4.7022 4.7022 4.7022 4.7022 6.2952 6.2952 6.2952 6.2952 6.8355 6.8355 6.8355 6.8355 7.0006 7.0006 7.0006 7.0006 8.0973 8.0973 8.0973 8.0973 8.1933 8.1933 8.1933 8.1933 11.5040 11.5040 11.5040 11.5040 13.6203 13.6203 k = 0.3793 0.2190 0.1700 ( 2664 PWs) bands (ev): -11.4339 -11.4339 -11.4339 -11.4339 -9.6532 -9.6532 -9.6532 -9.6532 -0.5776 -0.5776 -0.5776 -0.5776 0.2605 0.2605 0.2605 0.2605 1.4969 1.4969 1.4969 1.4969 2.2159 2.2159 2.2159 2.2159 3.6656 3.6656 3.6656 3.6656 4.6987 4.6987 4.6987 4.6987 6.2905 6.2905 6.2905 6.2905 6.8413 6.8413 6.8413 6.8413 7.0052 7.0052 7.0052 7.0052 8.0917 8.0917 8.0917 8.0917 8.2052 8.2052 8.2052 8.2052 11.4500 11.4500 11.4500 11.4500 13.6089 13.6089 k = 0.3879 0.2240 0.1700 ( 2654 PWs) bands (ev): -11.4219 -11.4219 -11.4219 -11.4219 -9.6454 -9.6454 -9.6454 -9.6454 -0.5444 -0.5444 -0.5444 -0.5444 0.2194 0.2194 0.2194 0.2194 1.4748 1.4748 1.4748 1.4748 2.2082 2.2082 2.2082 2.2082 3.6337 3.6337 3.6337 3.6337 4.6954 4.6954 4.6954 4.6954 6.2861 6.2861 6.2861 6.2861 6.8470 6.8470 6.8470 6.8470 7.0095 7.0095 7.0095 7.0095 8.0858 8.0858 8.0858 8.0858 8.2179 8.2179 8.2179 8.2179 11.3989 11.3989 11.3989 11.3989 13.5982 13.5982 k = 0.3966 0.2289 0.1700 ( 2654 PWs) bands (ev): -11.4107 -11.4107 -11.4107 -11.4107 -9.6380 -9.6380 -9.6380 -9.6380 -0.5119 -0.5119 -0.5119 -0.5119 0.1800 0.1800 0.1800 0.1800 1.4540 1.4540 1.4540 1.4540 2.2009 2.2009 2.2009 2.2009 3.6033 3.6033 3.6033 3.6033 4.6924 4.6924 4.6924 4.6924 6.2820 6.2820 6.2820 6.2820 6.8522 6.8522 6.8522 6.8522 7.0133 7.0133 7.0133 7.0133 8.0798 8.0798 8.0798 8.0798 8.2307 8.2307 8.2307 8.2307 11.3509 11.3509 11.3509 11.3509 13.5882 13.5882 k = 0.4052 0.2339 0.1700 ( 2648 PWs) bands (ev): -11.4001 -11.4001 -11.4001 -11.4001 -9.6312 -9.6312 -9.6312 -9.6312 -0.4802 -0.4802 -0.4802 -0.4802 0.1424 0.1424 0.1424 0.1424 1.4346 1.4346 1.4346 1.4346 2.1941 2.1941 2.1941 2.1941 3.5748 3.5748 3.5748 3.5748 4.6896 4.6896 4.6896 4.6896 6.2781 6.2781 6.2781 6.2781 6.8571 6.8571 6.8571 6.8571 7.0168 7.0168 7.0168 7.0168 8.0740 8.0740 8.0740 8.0740 8.2434 8.2434 8.2434 8.2434 11.3060 11.3060 11.3060 11.3060 13.5789 13.5789 k = 0.4138 0.2389 0.1700 ( 2648 PWs) bands (ev): -11.3904 -11.3904 -11.3904 -11.3904 -9.6249 -9.6249 -9.6249 -9.6249 -0.4494 -0.4494 -0.4494 -0.4494 0.1065 0.1065 0.1065 0.1065 1.4167 1.4167 1.4167 1.4167 2.1879 2.1879 2.1879 2.1879 3.5483 3.5483 3.5483 3.5483 4.6871 4.6871 4.6871 4.6871 6.2745 6.2745 6.2745 6.2745 6.8616 6.8616 6.8616 6.8616 7.0198 7.0198 7.0198 7.0198 8.0684 8.0684 8.0684 8.0684 8.2558 8.2558 8.2558 8.2558 11.2645 11.2645 11.2645 11.2645 13.5704 13.5704 k = 0.4224 0.2439 0.1700 ( 2648 PWs) bands (ev): -11.3815 -11.3815 -11.3815 -11.3815 -9.6191 -9.6191 -9.6191 -9.6191 -0.4195 -0.4195 -0.4195 -0.4195 0.0724 0.0724 0.0724 0.0724 1.4002 1.4002 1.4002 1.4002 2.1821 2.1821 2.1821 2.1821 3.5238 3.5238 3.5238 3.5238 4.6849 4.6849 4.6849 4.6849 6.2714 6.2714 6.2714 6.2714 6.8657 6.8657 6.8657 6.8657 7.0225 7.0225 7.0225 7.0225 8.0630 8.0630 8.0630 8.0630 8.2677 8.2677 8.2677 8.2677 11.2264 11.2264 11.2264 11.2264 13.5626 13.5626 k = 0.4310 0.2489 0.1700 ( 2650 PWs) bands (ev): -11.3734 -11.3734 -11.3734 -11.3734 -9.6138 -9.6138 -9.6138 -9.6138 -0.3905 -0.3905 -0.3905 -0.3905 0.0398 0.0398 0.0398 0.0398 1.3853 1.3853 1.3853 1.3853 2.1769 2.1769 2.1769 2.1769 3.5016 3.5016 3.5016 3.5016 4.6828 4.6828 4.6828 4.6828 6.2684 6.2684 6.2684 6.2684 6.8695 6.8695 6.8695 6.8695 7.0249 7.0249 7.0249 7.0249 8.0580 8.0580 8.0580 8.0580 8.2789 8.2789 8.2789 8.2789 11.1919 11.1919 11.1919 11.1919 13.5556 13.5556 k = 0.4397 0.2538 0.1700 ( 2654 PWs) bands (ev): -11.3663 -11.3663 -11.3663 -11.3663 -9.6091 -9.6091 -9.6091 -9.6091 -0.3624 -0.3624 -0.3624 -0.3624 0.0089 0.0089 0.0089 0.0089 1.3720 1.3720 1.3720 1.3720 2.1723 2.1723 2.1723 2.1723 3.4816 3.4816 3.4816 3.4816 4.6811 4.6811 4.6811 4.6811 6.2657 6.2657 6.2657 6.2657 6.8728 6.8728 6.8728 6.8728 7.0269 7.0269 7.0269 7.0269 8.0536 8.0536 8.0536 8.0536 8.2892 8.2892 8.2892 8.2892 11.1612 11.1612 11.1612 11.1612 13.5495 13.5495 k = 0.4483 0.2588 0.1700 ( 2652 PWs) bands (ev): -11.3599 -11.3599 -11.3599 -11.3599 -9.6051 -9.6051 -9.6051 -9.6051 -0.3352 -0.3352 -0.3352 -0.3352 -0.0205 -0.0205 -0.0205 -0.0205 1.3604 1.3604 1.3604 1.3604 2.1682 2.1682 2.1682 2.1682 3.4641 3.4641 3.4641 3.4641 4.6795 4.6795 4.6795 4.6795 6.2635 6.2635 6.2635 6.2635 6.8757 6.8757 6.8757 6.8757 7.0287 7.0287 7.0287 7.0287 8.0496 8.0496 8.0496 8.0496 8.2985 8.2985 8.2985 8.2985 11.1343 11.1343 11.1343 11.1343 13.5441 13.5441 k = 0.4569 0.2638 0.1700 ( 2652 PWs) bands (ev): -11.3546 -11.3546 -11.3546 -11.3546 -9.6016 -9.6016 -9.6016 -9.6016 -0.3090 -0.3090 -0.3090 -0.3090 -0.0486 -0.0486 -0.0486 -0.0486 1.3504 1.3504 1.3504 1.3504 2.1648 2.1648 2.1648 2.1648 3.4491 3.4491 3.4491 3.4491 4.6782 4.6782 4.6782 4.6782 6.2615 6.2615 6.2615 6.2615 6.8782 6.8782 6.8782 6.8782 7.0301 7.0301 7.0301 7.0301 8.0462 8.0462 8.0462 8.0462 8.3065 8.3065 8.3065 8.3065 11.1113 11.1113 11.1113 11.1113 13.5395 13.5395 k = 0.4655 0.2688 0.1700 ( 2646 PWs) bands (ev): -11.3502 -11.3502 -11.3502 -11.3502 -9.5987 -9.5987 -9.5987 -9.5987 -0.2837 -0.2837 -0.2837 -0.2837 -0.0753 -0.0753 -0.0753 -0.0753 1.3422 1.3422 1.3422 1.3422 2.1620 2.1620 2.1620 2.1620 3.4367 3.4367 3.4367 3.4367 4.6772 4.6772 4.6772 4.6772 6.2600 6.2600 6.2600 6.2600 6.8803 6.8803 6.8803 6.8803 7.0313 7.0313 7.0313 7.0313 8.0434 8.0434 8.0434 8.0434 8.3134 8.3134 8.3134 8.3134 11.0924 11.0924 11.0924 11.0924 13.5359 13.5359 k = 0.4741 0.2737 0.1700 ( 2654 PWs) bands (ev): -11.3467 -11.3467 -11.3467 -11.3467 -9.5965 -9.5965 -9.5965 -9.5965 -0.2593 -0.2593 -0.2593 -0.2593 -0.1006 -0.1006 -0.1006 -0.1006 1.3357 1.3357 1.3357 1.3357 2.1597 2.1597 2.1597 2.1597 3.4269 3.4269 3.4269 3.4269 4.6764 4.6764 4.6764 4.6764 6.2587 6.2587 6.2587 6.2587 6.8818 6.8818 6.8818 6.8818 7.0321 7.0321 7.0321 7.0321 8.0411 8.0411 8.0411 8.0411 8.3188 8.3188 8.3188 8.3188 11.0776 11.0776 11.0776 11.0776 13.5329 13.5329 k = 0.4828 0.2787 0.1700 ( 2658 PWs) bands (ev): -11.3442 -11.3442 -11.3442 -11.3442 -9.5949 -9.5949 -9.5949 -9.5949 -0.2364 -0.2364 -0.2364 -0.2364 -0.1242 -0.1242 -0.1242 -0.1242 1.3311 1.3311 1.3311 1.3311 2.1582 2.1582 2.1582 2.1582 3.4200 3.4200 3.4200 3.4200 4.6758 4.6758 4.6758 4.6758 6.2578 6.2578 6.2578 6.2578 6.8829 6.8829 6.8829 6.8829 7.0327 7.0327 7.0327 7.0327 8.0395 8.0395 8.0395 8.0395 8.3226 8.3226 8.3226 8.3226 11.0669 11.0669 11.0669 11.0669 13.5308 13.5308 k = 0.4914 0.2837 0.1700 ( 2656 PWs) bands (ev): -11.3427 -11.3427 -11.3427 -11.3427 -9.5939 -9.5939 -9.5939 -9.5939 -0.2165 -0.2165 -0.2165 -0.2165 -0.1446 -0.1446 -0.1446 -0.1446 1.3283 1.3283 1.3283 1.3283 2.1572 2.1572 2.1572 2.1572 3.4158 3.4158 3.4158 3.4158 4.6755 4.6755 4.6755 4.6755 6.2573 6.2573 6.2573 6.2573 6.8836 6.8836 6.8836 6.8836 7.0331 7.0331 7.0331 7.0331 8.0385 8.0385 8.0385 8.0385 8.3250 8.3250 8.3250 8.3250 11.0605 11.0605 11.0605 11.0605 13.5296 13.5296 k = 0.5000 0.2887 0.1700 ( 2652 PWs) bands (ev): -11.3422 -11.3422 -11.3422 -11.3422 -9.5936 -9.5936 -9.5936 -9.5936 -0.2067 -0.2067 -0.2067 -0.2067 -0.1545 -0.1545 -0.1545 -0.1545 1.3274 1.3274 1.3274 1.3274 2.1569 2.1569 2.1569 2.1569 3.4144 3.4144 3.4144 3.4144 4.6754 4.6754 4.6754 4.6754 6.2571 6.2571 6.2571 6.2571 6.8838 6.8838 6.8838 6.8838 7.0332 7.0332 7.0332 7.0332 8.0383 8.0383 8.0383 8.0383 8.3258 8.3258 8.3258 8.3258 11.0584 11.0584 11.0584 11.0584 13.5292 13.5292 k = 0.5000 0.2887 0.1700 ( 2652 PWs) bands (ev): -11.3422 -11.3422 -11.3422 -11.3422 -9.5936 -9.5936 -9.5936 -9.5936 -0.2067 -0.2067 -0.2067 -0.2067 -0.1545 -0.1545 -0.1545 -0.1545 1.3274 1.3274 1.3274 1.3274 2.1569 2.1569 2.1569 2.1569 3.4144 3.4144 3.4144 3.4144 4.6754 4.6754 4.6754 4.6754 6.2571 6.2571 6.2571 6.2571 6.8838 6.8838 6.8838 6.8838 7.0332 7.0332 7.0332 7.0332 8.0383 8.0383 8.0383 8.0383 8.3258 8.3258 8.3258 8.3258 11.0584 11.0584 11.0584 11.0584 13.5292 13.5292 k = 0.4951 0.2972 0.1700 ( 2656 PWs) bands (ev): -11.3421 -11.3421 -11.3421 -11.3421 -9.5935 -9.5935 -9.5934 -9.5934 -0.2060 -0.2060 -0.2060 -0.2060 -0.1542 -0.1542 -0.1540 -0.1540 1.3273 1.3273 1.3275 1.3275 2.1548 2.1548 2.1550 2.1550 3.4144 3.4144 3.4149 3.4149 4.6732 4.6732 4.6749 4.6749 6.2568 6.2568 6.2592 6.2592 6.8834 6.8834 6.8841 6.8841 7.0315 7.0315 7.0343 7.0343 8.0361 8.0361 8.0367 8.0367 8.3255 8.3255 8.3284 8.3284 11.0591 11.0591 11.0595 11.0595 13.5268 13.5274 k = 0.4902 0.3057 0.1700 ( 2660 PWs) bands (ev): -11.3417 -11.3417 -11.3416 -11.3416 -9.5933 -9.5933 -9.5931 -9.5931 -0.2039 -0.2039 -0.2039 -0.2039 -0.1532 -0.1532 -0.1529 -0.1529 1.3272 1.3272 1.3277 1.3277 2.1486 2.1486 2.1490 2.1490 3.4150 3.4150 3.4160 3.4160 4.6685 4.6685 4.6717 4.6717 6.2580 6.2580 6.2630 6.2630 6.8830 6.8830 6.8843 6.8843 7.0291 7.0291 7.0348 7.0348 8.0303 8.0303 8.0316 8.0316 8.3274 8.3274 8.3331 8.3331 11.0615 11.0615 11.0623 11.0623 13.5201 13.5202 k = 0.4853 0.3141 0.1700 ( 2656 PWs) bands (ev): -11.3410 -11.3410 -11.3409 -11.3409 -9.5928 -9.5928 -9.5926 -9.5926 -0.2004 -0.2004 -0.2004 -0.2004 -0.1514 -0.1514 -0.1509 -0.1509 1.3272 1.3272 1.3279 1.3279 2.1385 2.1385 2.1392 2.1392 3.4162 3.4162 3.4177 3.4177 4.6614 4.6614 4.6661 4.6661 6.2611 6.2611 6.2685 6.2685 6.8825 6.8825 6.8845 6.8845 7.0261 7.0261 7.0348 7.0348 8.0212 8.0212 8.0234 8.0234 8.3313 8.3313 8.3397 8.3397 11.0657 11.0657 11.0668 11.0668 13.5098 13.5122 k = 0.4804 0.3226 0.1700 ( 2656 PWs) bands (ev): -11.3400 -11.3400 -11.3399 -11.3399 -9.5921 -9.5921 -9.5919 -9.5919 -0.1956 -0.1956 -0.1955 -0.1955 -0.1487 -0.1487 -0.1483 -0.1483 1.3272 1.3272 1.3280 1.3280 2.1245 2.1245 2.1253 2.1253 3.4179 3.4179 3.4198 3.4198 4.6518 4.6518 4.6580 4.6580 6.2658 6.2658 6.2755 6.2755 6.8818 6.8818 6.8847 6.8847 7.0224 7.0224 7.0341 7.0341 8.0091 8.0091 8.0124 8.0124 8.3368 8.3368 8.3477 8.3477 11.0716 11.0716 11.0730 11.0730 13.4952 13.4956 k = 0.4755 0.3311 0.1700 ( 2652 PWs) bands (ev): -11.3388 -11.3388 -11.3385 -11.3385 -9.5913 -9.5913 -9.5909 -9.5909 -0.1897 -0.1897 -0.1894 -0.1894 -0.1452 -0.1452 -0.1447 -0.1447 1.3271 1.3271 1.3282 1.3282 2.1068 2.1068 2.1078 2.1078 3.4201 3.4201 3.4225 3.4225 4.6400 4.6400 4.6476 4.6476 6.2720 6.2720 6.2839 6.2839 6.8809 6.8809 6.8847 6.8847 7.0180 7.0180 7.0330 7.0330 7.9945 7.9945 7.9992 7.9992 8.3437 8.3437 8.3568 8.3568 11.0791 11.0791 11.0809 11.0809 13.4771 13.4771 k = 0.4706 0.3396 0.1700 ( 2648 PWs) bands (ev): -11.3372 -11.3372 -11.3370 -11.3370 -9.5903 -9.5903 -9.5898 -9.5898 -0.1827 -0.1827 -0.1822 -0.1822 -0.1406 -0.1406 -0.1402 -0.1402 1.3270 1.3270 1.3284 1.3284 2.0854 2.0854 2.0866 2.0866 3.4227 3.4227 3.4257 3.4257 4.6260 4.6260 4.6349 4.6349 6.2796 6.2796 6.2937 6.2937 6.8799 6.8799 6.8848 6.8848 7.0131 7.0131 7.0314 7.0314 7.9778 7.9778 7.9841 7.9841 8.3515 8.3515 8.3667 8.3667 11.0882 11.0882 11.0903 11.0903 13.4553 13.4553 k = 0.4657 0.3481 0.1700 ( 2652 PWs) bands (ev): -11.3354 -11.3354 -11.3351 -11.3351 -9.5891 -9.5891 -9.5886 -9.5886 -0.1750 -0.1750 -0.1741 -0.1741 -0.1347 -0.1347 -0.1345 -0.1345 1.3268 1.3268 1.3284 1.3284 2.0605 2.0605 2.0618 2.0618 3.4258 3.4258 3.4294 3.4294 4.6100 4.6100 4.6200 4.6200 6.2885 6.2885 6.3047 6.3047 6.8787 6.8787 6.8848 6.8848 7.0074 7.0074 7.0295 7.0295 7.9595 7.9595 7.9675 7.9675 8.3599 8.3599 8.3770 8.3770 11.0987 11.0987 11.1012 11.1012 13.4300 13.4301 k = 0.4608 0.3566 0.1700 ( 2654 PWs) bands (ev): -11.3334 -11.3334 -11.3331 -11.3331 -9.5877 -9.5877 -9.5871 -9.5871 -0.1669 -0.1669 -0.1655 -0.1655 -0.1274 -0.1274 -0.1272 -0.1272 1.3265 1.3265 1.3284 1.3284 2.0324 2.0324 2.0338 2.0338 3.4293 3.4293 3.4335 3.4335 4.5921 4.5921 4.6032 4.6032 6.2985 6.2985 6.3167 6.3167 6.8771 6.8771 6.8847 6.8847 7.0011 7.0011 7.0272 7.0272 7.9398 7.9398 7.9497 7.9497 8.3687 8.3687 8.3876 8.3876 11.1107 11.1107 11.1135 11.1135 13.4015 13.4015 k = 0.4559 0.3651 0.1700 ( 2646 PWs) bands (ev): -11.3311 -11.3311 -11.3308 -11.3308 -9.5862 -9.5862 -9.5855 -9.5855 -0.1587 -0.1587 -0.1566 -0.1566 -0.1185 -0.1185 -0.1177 -0.1177 1.3260 1.3260 1.3281 1.3281 2.0014 2.0014 2.0029 2.0029 3.4333 3.4333 3.4380 3.4380 4.5727 4.5727 4.5847 4.5847 6.3097 6.3097 6.3296 6.3296 6.8753 6.8753 6.8847 6.8847 6.9943 6.9943 7.0247 7.0247 7.9193 7.9193 7.9313 7.9313 8.3777 8.3777 8.3983 8.3983 11.1240 11.1240 11.1272 11.1272 13.3701 13.3701 k = 0.4510 0.3736 0.1700 ( 2646 PWs) bands (ev): -11.3286 -11.3286 -11.3282 -11.3282 -9.5845 -9.5845 -9.5838 -9.5838 -0.1507 -0.1507 -0.1479 -0.1479 -0.1074 -0.1074 -0.1061 -0.1061 1.3253 1.3253 1.3276 1.3276 1.9675 1.9675 1.9691 1.9691 3.4375 3.4375 3.4428 3.4428 4.5517 4.5517 4.5645 4.5645 6.3216 6.3216 6.3433 6.3433 6.8730 6.8730 6.8845 6.8845 6.9869 6.9869 7.0222 7.0222 7.8980 7.8980 7.9123 7.9123 8.3868 8.3868 8.4089 8.4089 11.1386 11.1386 11.1420 11.1420 13.3359 13.3359 k = 0.4461 0.3821 0.1700 ( 2646 PWs) bands (ev): -11.3259 -11.3259 -11.3255 -11.3255 -9.5827 -9.5827 -9.5819 -9.5819 -0.1430 -0.1430 -0.1396 -0.1396 -0.0941 -0.0941 -0.0923 -0.0923 1.3241 1.3241 1.3268 1.3268 1.9312 1.9312 1.9327 1.9327 3.4421 3.4421 3.4480 3.4480 4.5295 4.5295 4.5429 4.5429 6.3343 6.3343 6.3575 6.3575 6.8702 6.8702 6.8843 6.8843 6.9791 6.9791 7.0196 7.0196 7.8763 7.8763 7.8930 7.8930 8.3957 8.3957 8.4194 8.4194 11.1542 11.1542 11.1579 11.1579 13.2993 13.2993 k = 0.4412 0.3906 0.1700 ( 2642 PWs) bands (ev): -11.3231 -11.3231 -11.3226 -11.3226 -9.5807 -9.5807 -9.5799 -9.5799 -0.1355 -0.1355 -0.1316 -0.1316 -0.0786 -0.0786 -0.0764 -0.0764 1.3224 1.3224 1.3254 1.3254 1.8928 1.8928 1.8943 1.8943 3.4470 3.4470 3.4536 3.4536 4.5061 4.5061 4.5200 4.5200 6.3477 6.3477 6.3723 6.3723 6.8670 6.8670 6.8840 6.8840 6.9708 6.9708 7.0173 7.0173 7.8544 7.8544 7.8736 7.8736 8.4046 8.4046 8.4296 8.4296 11.1708 11.1708 11.1749 11.1749 13.2605 13.2605 k = 0.4363 0.3991 0.1700 ( 2646 PWs) bands (ev): -11.3200 -11.3200 -11.3195 -11.3195 -9.5787 -9.5787 -9.5778 -9.5778 -0.1282 -0.1282 -0.1239 -0.1239 -0.0611 -0.0611 -0.0585 -0.0585 1.3200 1.3200 1.3234 1.3234 1.8526 1.8526 1.8541 1.8541 3.4522 3.4522 3.4594 3.4594 4.4816 4.4816 4.4959 4.4959 6.3615 6.3615 6.3875 6.3875 6.8630 6.8630 6.8834 6.8834 6.9623 6.9623 7.0151 7.0151 7.8323 7.8323 7.8542 7.8542 8.4132 8.4132 8.4396 8.4396 11.1883 11.1883 11.1926 11.1926 13.2198 13.2198 k = 0.4314 0.4075 0.1700 ( 2650 PWs) bands (ev): -11.3169 -11.3169 -11.3163 -11.3163 -9.5765 -9.5765 -9.5756 -9.5756 -0.1209 -0.1209 -0.1162 -0.1162 -0.0417 -0.0417 -0.0389 -0.0389 1.3167 1.3167 1.3205 1.3205 1.8113 1.8113 1.8125 1.8125 3.4576 3.4576 3.4655 3.4655 4.4563 4.4563 4.4709 4.4709 6.3757 6.3757 6.4028 6.4028 6.8584 6.8584 6.8825 6.8825 6.9537 6.9537 7.0134 7.0134 7.8104 7.8104 7.8350 7.8350 8.4216 8.4216 8.4493 8.4493 11.2065 11.2065 11.2111 11.2111 13.1775 13.1775 k = 0.4265 0.4160 0.1700 ( 2658 PWs) bands (ev): -11.3135 -11.3135 -11.3130 -11.3130 -9.5743 -9.5743 -9.5733 -9.5733 -0.1135 -0.1135 -0.1085 -0.1085 -0.0207 -0.0207 -0.0177 -0.0177 1.3121 1.3121 1.3164 1.3164 1.7692 1.7692 1.7702 1.7702 3.4634 3.4634 3.4719 3.4719 4.4303 4.4303 4.4451 4.4451 6.3901 6.3901 6.4183 6.4183 6.8531 6.8531 6.8812 6.8812 6.9451 6.9451 7.0121 7.0121 7.7886 7.7886 7.8162 7.8162 8.4298 8.4298 8.4586 8.4586 11.2253 11.2253 11.2301 11.2301 13.1340 13.1340 k = 0.4216 0.4245 0.1700 ( 2656 PWs) bands (ev): -11.3101 -11.3101 -11.3095 -11.3095 -9.5720 -9.5720 -9.5709 -9.5709 -0.1061 -0.1061 -0.1008 -0.1008 0.0019 0.0019 0.0051 0.0051 1.3057 1.3057 1.3106 1.3106 1.7271 1.7271 1.7278 1.7278 3.4694 3.4694 3.4787 3.4787 4.4038 4.4038 4.4187 4.4187 6.4049 6.4049 6.4340 6.4340 6.8470 6.8470 6.8792 6.8792 6.9370 6.9370 7.0115 7.0115 7.7672 7.7672 7.7979 7.7979 8.4377 8.4377 8.4677 8.4677 11.2445 11.2445 11.2496 11.2496 13.0897 13.0897 k = 0.4167 0.4330 0.1700 ( 2652 PWs) bands (ev): -11.3066 -11.3066 -11.3060 -11.3060 -9.5696 -9.5696 -9.5685 -9.5685 -0.0986 -0.0986 -0.0930 -0.0930 0.0260 0.0260 0.0294 0.0294 1.2971 1.2971 1.3025 1.3025 1.6859 1.6859 1.6861 1.6861 3.4757 3.4757 3.4857 3.4857 4.3769 4.3769 4.3917 4.3917 6.4197 6.4197 6.4497 6.4497 6.8402 6.8402 6.8763 6.8763 6.9298 6.9298 7.0116 7.0116 7.7463 7.7463 7.7800 7.7800 8.4453 8.4453 8.4764 8.4764 11.2641 11.2641 11.2694 11.2694 13.0448 13.0448 k = 0.4118 0.4415 0.1700 ( 2652 PWs) bands (ev): -11.3031 -11.3031 -11.3024 -11.3024 -9.5672 -9.5672 -9.5661 -9.5661 -0.0910 -0.0910 -0.0852 -0.0852 0.0514 0.0514 0.0550 0.0550 1.2855 1.2855 1.2915 1.2915 1.6461 1.6461 1.6463 1.6463 3.4822 3.4822 3.4929 3.4929 4.3497 4.3497 4.3644 4.3644 6.4347 6.4347 6.4653 6.4653 6.8327 6.8327 6.8721 6.8721 6.9236 6.9236 7.0124 7.0124 7.7258 7.7258 7.7628 7.7628 8.4526 8.4526 8.4848 8.4848 11.2838 11.2838 11.2893 11.2893 12.9997 12.9997 k = 0.4069 0.4500 0.1700 ( 2646 PWs) bands (ev): -11.2995 -11.2995 -11.2988 -11.2988 -9.5648 -9.5648 -9.5636 -9.5636 -0.0833 -0.0833 -0.0773 -0.0773 0.0782 0.0782 0.0820 0.0820 1.2699 1.2699 1.2767 1.2767 1.6089 1.6089 1.6097 1.6097 3.4890 3.4890 3.5005 3.5005 4.3223 4.3223 4.3369 4.3369 6.4496 6.4496 6.4808 6.4808 6.8246 6.8246 6.8665 6.8665 6.9189 6.9189 7.0140 7.0140 7.7060 7.7060 7.7463 7.7463 8.4597 8.4597 8.4928 8.4928 11.3035 11.3035 11.3092 11.3092 12.9548 12.9548 k = 0.4020 0.4585 0.1700 ( 2646 PWs) bands (ev): -11.2960 -11.2960 -11.2953 -11.2953 -9.5624 -9.5624 -9.5612 -9.5612 -0.0757 -0.0757 -0.0694 -0.0694 0.1062 0.1062 0.1102 0.1102 1.2496 1.2496 1.2570 1.2570 1.5756 1.5756 1.5769 1.5769 3.4960 3.4960 3.5082 3.5082 4.2951 4.2951 4.3094 4.3094 6.4644 6.4644 6.4962 6.4962 6.8158 6.8158 6.8595 6.8595 6.9156 6.9156 7.0163 7.0163 7.6867 7.6867 7.7305 7.7305 8.4664 8.4664 8.5005 8.5005 11.3231 11.3231 11.3289 11.3289 12.9104 12.9104 k = 0.3971 0.4670 0.1700 ( 2646 PWs) bands (ev): -11.2925 -11.2925 -11.2917 -11.2917 -9.5600 -9.5600 -9.5587 -9.5587 -0.0680 -0.0680 -0.0615 -0.0615 0.1354 0.1354 0.1396 0.1396 1.2240 1.2240 1.2319 1.2319 1.5472 1.5472 1.5489 1.5489 3.5031 3.5031 3.5160 3.5160 4.2680 4.2680 4.2820 4.2820 6.4790 6.4790 6.5113 6.5113 6.8065 6.8065 6.8514 6.8514 6.9134 6.9134 7.0193 7.0193 7.6681 7.6681 7.7154 7.7154 8.4728 8.4728 8.5078 8.5078 11.3423 11.3423 11.3483 11.3483 12.8668 12.8668 k = 0.3922 0.4755 0.1700 ( 2650 PWs) bands (ev): -11.2890 -11.2890 -11.2883 -11.2883 -9.5577 -9.5577 -9.5564 -9.5564 -0.0603 -0.0603 -0.0536 -0.0536 0.1657 0.1657 0.1700 0.1700 1.1929 1.1929 1.2012 1.2012 1.5240 1.5240 1.5260 1.5260 3.5103 3.5103 3.5240 3.5240 4.2414 4.2414 4.2550 4.2550 6.4933 6.4933 6.5262 6.5262 6.7967 6.7967 6.8427 6.8427 6.9121 6.9121 7.0228 7.0228 7.6502 7.6502 7.7011 7.7011 8.4787 8.4787 8.5146 8.5146 11.3610 11.3610 11.3671 11.3671 12.8244 12.8244 k = 0.3873 0.4840 0.1700 ( 2650 PWs) bands (ev): -11.2857 -11.2857 -11.2849 -11.2849 -9.5554 -9.5554 -9.5541 -9.5541 -0.0528 -0.0528 -0.0459 -0.0459 0.1970 0.1970 0.2015 0.2015 1.1569 1.1569 1.1653 1.1653 1.5059 1.5059 1.5079 1.5079 3.5176 3.5176 3.5321 3.5321 4.2153 4.2153 4.2285 4.2285 6.5073 6.5073 6.5408 6.5408 6.7867 6.7867 6.8336 6.8336 6.9115 6.9115 7.0270 7.0270 7.6331 7.6331 7.6877 7.6877 8.4845 8.4845 8.5212 8.5212 11.3790 11.3790 11.3852 11.3852 12.7837 12.7837 k = 0.3824 0.4924 0.1700 ( 2642 PWs) bands (ev): -11.2824 -11.2824 -11.2816 -11.2816 -9.5533 -9.5533 -9.5519 -9.5519 -0.0454 -0.0454 -0.0383 -0.0383 0.2293 0.2293 0.2340 0.2340 1.1168 1.1168 1.1252 1.1252 1.4922 1.4922 1.4942 1.4942 3.5249 3.5249 3.5401 3.5401 4.1902 4.1902 4.2029 4.2029 6.5209 6.5209 6.5552 6.5552 6.7764 6.7764 6.8247 6.8247 6.9114 6.9114 7.0317 7.0317 7.6169 7.6169 7.6752 7.6752 8.4899 8.4899 8.5273 8.5273 11.3961 11.3961 11.4023 11.4023 12.7451 12.7451 k = 0.3775 0.5009 0.1700 ( 2642 PWs) bands (ev): -11.2794 -11.2794 -11.2785 -11.2785 -9.5512 -9.5512 -9.5498 -9.5498 -0.0383 -0.0383 -0.0309 -0.0309 0.2623 0.2623 0.2673 0.2673 1.0737 1.0737 1.0820 1.0820 1.4819 1.4819 1.4838 1.4838 3.5321 3.5321 3.5481 3.5481 4.1661 4.1661 4.1783 4.1783 6.5338 6.5338 6.5691 6.5691 6.7660 6.7660 6.8158 6.8158 6.9114 6.9114 7.0366 7.0366 7.6016 7.6016 7.6637 7.6637 8.4949 8.4949 8.5330 8.5330 11.4121 11.4121 11.4184 11.4184 12.7088 12.7088 k = 0.3725 0.5094 0.1700 ( 2642 PWs) bands (ev): -11.2765 -11.2765 -11.2756 -11.2756 -9.5493 -9.5493 -9.5478 -9.5478 -0.0314 -0.0314 -0.0239 -0.0239 0.2961 0.2961 0.3013 0.3013 1.0287 1.0287 1.0369 1.0369 1.4743 1.4743 1.4760 1.4760 3.5390 3.5390 3.5557 3.5557 4.1434 4.1434 4.1550 4.1550 6.5459 6.5459 6.5826 6.5826 6.7554 6.7554 6.8075 6.8075 6.9117 6.9117 7.0419 7.0419 7.5874 7.5874 7.6531 7.6531 8.4995 8.4995 8.5382 8.5382 11.4267 11.4267 11.4331 11.4331 12.6753 12.6753 k = 0.3676 0.5179 0.1700 ( 2630 PWs) bands (ev): -11.2738 -11.2738 -11.2729 -11.2729 -9.5475 -9.5475 -9.5460 -9.5460 -0.0249 -0.0249 -0.0172 -0.0172 0.3304 0.3304 0.3357 0.3357 0.9828 0.9828 0.9908 0.9908 1.4687 1.4687 1.4703 1.4703 3.5456 3.5456 3.5631 3.5631 4.1224 4.1224 4.1334 4.1334 6.5573 6.5573 6.5958 6.5958 6.7449 6.7449 6.7998 6.7998 6.9120 6.9120 7.0473 7.0473 7.5743 7.5743 7.6436 7.6436 8.5037 8.5037 8.5431 8.5431 11.4399 11.4399 11.4463 11.4463 12.6450 12.6450 k = 0.3627 0.5264 0.1700 ( 2618 PWs) bands (ev): -11.2714 -11.2714 -11.2705 -11.2705 -9.5459 -9.5459 -9.5444 -9.5444 -0.0188 -0.0188 -0.0109 -0.0109 0.3649 0.3649 0.3704 0.3704 0.9369 0.9369 0.9447 0.9447 1.4646 1.4646 1.4661 1.4661 3.5518 3.5518 3.5699 3.5699 4.1034 4.1034 4.1138 4.1138 6.5675 6.5675 6.6086 6.6086 6.7345 6.7345 6.7930 6.7930 6.9124 6.9124 7.0526 7.0526 7.5624 7.5624 7.6352 7.6352 8.5075 8.5075 8.5474 8.5474 11.4514 11.4514 11.4578 11.4578 12.6181 12.6181 k = 0.3578 0.5349 0.1700 ( 2618 PWs) bands (ev): -11.2692 -11.2692 -11.2684 -11.2684 -9.5445 -9.5445 -9.5430 -9.5430 -0.0133 -0.0133 -0.0053 -0.0053 0.3991 0.3991 0.4049 0.4049 0.8919 0.8919 0.8995 0.8995 1.4616 1.4616 1.4630 1.4630 3.5572 3.5572 3.5760 3.5760 4.0867 4.0867 4.0965 4.0965 6.5763 6.5763 6.6207 6.6207 6.7241 6.7241 6.7871 6.7871 6.9128 6.9128 7.0577 7.0577 7.5519 7.5519 7.6278 7.6278 8.5108 8.5108 8.5510 8.5510 11.4611 11.4611 11.4675 11.4675 12.5950 12.5950 k = 0.3529 0.5434 0.1700 ( 2618 PWs) bands (ev): -11.2674 -11.2674 -11.2666 -11.2666 -9.5432 -9.5432 -9.5417 -9.5417 -0.0084 -0.0084 -0.0003 -0.0003 0.4325 0.4325 0.4385 0.4385 0.8490 0.8490 0.8564 0.8564 1.4594 1.4594 1.4607 1.4607 3.5618 3.5618 3.5812 3.5812 4.0725 4.0725 4.0819 4.0819 6.5836 6.5836 6.6323 6.6323 6.7138 6.7138 6.7823 6.7823 6.9130 6.9130 7.0622 7.0622 7.5430 7.5430 7.6217 7.6217 8.5135 8.5135 8.5541 8.5541 11.4689 11.4689 11.4753 11.4753 12.5759 12.5759 k = 0.3480 0.5519 0.1700 ( 2610 PWs) bands (ev): -11.2660 -11.2660 -11.2651 -11.2651 -9.5423 -9.5423 -9.5407 -9.5407 -0.0043 -0.0043 0.0039 0.0039 0.4638 0.4638 0.4701 0.4701 0.8098 0.8098 0.8170 0.8170 1.4580 1.4580 1.4591 1.4591 3.5655 3.5655 3.5853 3.5853 4.0612 4.0612 4.0702 4.0702 6.5894 6.5894 6.6434 6.6434 6.7038 6.7038 6.7788 6.7788 6.9133 6.9133 7.0661 7.0661 7.5359 7.5359 7.6169 7.6169 8.5157 8.5157 8.5566 8.5566 11.4748 11.4748 11.4813 11.4813 12.5610 12.5610 k = 0.3431 0.5604 0.1700 ( 2610 PWs) bands (ev): -11.2649 -11.2649 -11.2640 -11.2640 -9.5416 -9.5416 -9.5400 -9.5400 -0.0012 -0.0012 0.0071 0.0071 0.4909 0.4909 0.4974 0.4974 0.7766 0.7766 0.7836 0.7836 1.4570 1.4570 1.4581 1.4581 3.5681 3.5681 3.5883 3.5883 4.0530 4.0530 4.0616 4.0616 6.5934 6.5934 6.6539 6.6539 6.6940 6.6940 6.7764 6.7764 6.9134 6.9134 7.0691 7.0691 7.5306 7.5306 7.6134 7.6134 8.5173 8.5173 8.5585 8.5585 11.4788 11.4788 11.4853 11.4853 12.5504 12.5504 k = 0.3382 0.5689 0.1700 ( 2610 PWs) bands (ev): -11.2643 -11.2643 -11.2633 -11.2633 -9.5411 -9.5411 -9.5396 -9.5396 0.0008 0.0008 0.0092 0.0092 0.5103 0.5103 0.5170 0.5170 0.7534 0.7534 0.7602 0.7602 1.4564 1.4564 1.4575 1.4575 3.5697 3.5697 3.5900 3.5900 4.0480 4.0480 4.0565 4.0565 6.5958 6.5958 6.6634 6.6634 6.6849 6.6849 6.7751 6.7751 6.9134 6.9134 7.0710 7.0710 7.5274 7.5274 7.6112 7.6112 8.5183 8.5183 8.5596 8.5596 11.4811 11.4811 11.4875 11.4875 12.5441 12.5441 k = 0.3333 0.5774 0.1700 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 0.0015 0.0015 0.0099 0.0099 0.5174 0.5174 0.5242 0.5242 0.7449 0.7449 0.7517 0.7517 1.4562 1.4562 1.4573 1.4573 3.5701 3.5701 3.5906 3.5906 4.0464 4.0464 4.0547 4.0547 6.5965 6.5965 6.6692 6.6692 6.6792 6.6792 6.7747 6.7747 6.9135 6.9135 7.0716 7.0716 7.5263 7.5263 7.6105 7.6105 8.5186 8.5186 8.5600 8.5600 11.4818 11.4818 11.4883 11.4883 12.5420 12.5420 k = 0.3333 0.5774 0.1700 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 0.0015 0.0015 0.0099 0.0099 0.5174 0.5174 0.5242 0.5242 0.7449 0.7449 0.7517 0.7517 1.4562 1.4562 1.4573 1.4573 3.5701 3.5701 3.5906 3.5906 4.0464 4.0464 4.0547 4.0547 6.5965 6.5965 6.6692 6.6692 6.6792 6.6792 6.7747 6.7747 6.9135 6.9135 7.0716 7.0716 7.5263 7.5263 7.6105 7.6105 8.5186 8.5186 8.5600 8.5600 11.4818 11.4818 11.4883 11.4883 12.5420 12.5420 k = 0.3284 0.5687 0.1700 ( 2610 PWs) bands (ev): -11.2643 -11.2643 -11.2634 -11.2634 -9.5411 -9.5411 -9.5396 -9.5396 0.0007 0.0007 0.0091 0.0091 0.5104 0.5104 0.5171 0.5171 0.7534 0.7534 0.7602 0.7602 1.4564 1.4564 1.4575 1.4575 3.5697 3.5697 3.5901 3.5901 4.0481 4.0481 4.0565 4.0565 6.5958 6.5958 6.6637 6.6637 6.6847 6.6847 6.7750 6.7750 6.9135 6.9135 7.0709 7.0709 7.5274 7.5274 7.6113 7.6113 8.5183 8.5183 8.5595 8.5595 11.4812 11.4812 11.4876 11.4876 12.5441 12.5441 k = 0.3234 0.5601 0.1700 ( 2610 PWs) bands (ev): -11.2650 -11.2650 -11.2641 -11.2641 -9.5416 -9.5416 -9.5401 -9.5401 -0.0020 -0.0020 0.0063 0.0063 0.4927 0.4927 0.4992 0.4992 0.7758 0.7758 0.7828 0.7828 1.4570 1.4570 1.4581 1.4581 3.5685 3.5685 3.5887 3.5887 4.0530 4.0530 4.0616 4.0616 6.5939 6.5939 6.6552 6.6552 6.6927 6.6927 6.7756 6.7756 6.9136 6.9136 7.0688 7.0688 7.5309 7.5309 7.6135 7.6135 8.5172 8.5172 8.5583 8.5583 11.4795 11.4795 11.4860 11.4860 12.5502 12.5502 k = 0.3184 0.5515 0.1700 ( 2612 PWs) bands (ev): -11.2663 -11.2663 -11.2654 -11.2654 -9.5425 -9.5425 -9.5409 -9.5409 -0.0068 -0.0068 0.0013 0.0013 0.4698 0.4698 0.4759 0.4759 0.8070 0.8070 0.8142 0.8142 1.4580 1.4580 1.4592 1.4592 3.5668 3.5668 3.5867 3.5867 4.0610 4.0610 4.0700 4.0700 6.5909 6.5909 6.6467 6.6467 6.7005 6.7005 6.7760 6.7760 6.9140 6.9140 7.0652 7.0652 7.5365 7.5365 7.6172 7.6172 8.5152 8.5152 8.5561 8.5561 11.4773 11.4773 11.4837 11.4837 12.5600 12.5600 k = 0.3134 0.5429 0.1700 ( 2624 PWs) bands (ev): -11.2681 -11.2681 -11.2673 -11.2673 -9.5437 -9.5437 -9.5422 -9.5422 -0.0141 -0.0141 -0.0062 -0.0062 0.4455 0.4455 0.4512 0.4512 0.8432 0.8432 0.8507 0.8507 1.4594 1.4594 1.4607 1.4607 3.5648 3.5648 3.5843 3.5843 4.0719 4.0719 4.0812 4.0812 6.5871 6.5871 6.6384 6.6384 6.7077 6.7077 6.7759 6.7759 6.9146 6.9146 7.0603 7.0603 7.5442 7.5442 7.6224 7.6224 8.5125 8.5125 8.5531 8.5531 11.4747 11.4747 11.4811 11.4811 12.5733 12.5733 k = 0.3085 0.5343 0.1700 ( 2624 PWs) bands (ev): -11.2706 -11.2706 -11.2697 -11.2697 -9.5453 -9.5453 -9.5438 -9.5438 -0.0241 -0.0241 -0.0165 -0.0165 0.4224 0.4224 0.4276 0.4276 0.8825 0.8825 0.8903 0.8903 1.4615 1.4615 1.4628 1.4628 3.5631 3.5631 3.5820 3.5820 4.0853 4.0853 4.0950 4.0950 6.5828 6.5828 6.6305 6.6305 6.7144 6.7144 6.7752 6.7752 6.9157 6.9157 7.0543 7.0543 7.5539 7.5539 7.6291 7.6291 8.5090 8.5090 8.5491 8.5491 11.4724 11.4724 11.4787 11.4787 12.5897 12.5897 k = 0.3035 0.5256 0.1700 ( 2624 PWs) bands (ev): -11.2736 -11.2736 -11.2727 -11.2727 -9.5473 -9.5473 -9.5458 -9.5458 -0.0370 -0.0370 -0.0299 -0.0299 0.4017 0.4017 0.4063 0.4063 0.9236 0.9236 0.9316 0.9316 1.4643 1.4643 1.4657 1.4657 3.5617 3.5617 3.5802 3.5802 4.1009 4.1009 4.1112 4.1112 6.5781 6.5781 6.6229 6.6229 6.7204 6.7204 6.7734 6.7734 6.9174 6.9174 7.0473 7.0473 7.5653 7.5653 7.6371 7.6371 8.5045 8.5045 8.5441 8.5441 11.4706 11.4706 11.4767 11.4767 12.6090 12.6090 k = 0.2985 0.5170 0.1700 ( 2626 PWs) bands (ev): -11.2772 -11.2772 -11.2763 -11.2763 -9.5497 -9.5497 -9.5482 -9.5482 -0.0529 -0.0529 -0.0464 -0.0464 0.3842 0.3842 0.3882 0.3882 0.9659 0.9659 0.9741 0.9741 1.4678 1.4678 1.4693 1.4693 3.5610 3.5610 3.5790 3.5790 4.1186 4.1186 4.1294 4.1294 6.5731 6.5731 6.6155 6.6155 6.7257 6.7257 6.7705 6.7705 6.9197 6.9197 7.0396 7.0396 7.5783 7.5783 7.6463 7.6463 8.4992 8.4992 8.5382 8.5382 11.4696 11.4696 11.4757 11.4757 12.6309 12.6309 k = 0.2935 0.5084 0.1700 ( 2630 PWs) bands (ev): -11.2815 -11.2815 -11.2806 -11.2806 -9.5525 -9.5525 -9.5510 -9.5510 -0.0719 -0.0719 -0.0659 -0.0659 0.3702 0.3702 0.3735 0.3735 1.0088 1.0088 1.0173 1.0173 1.4722 1.4722 1.4738 1.4738 3.5613 3.5613 3.5787 3.5787 4.1379 4.1379 4.1493 4.1493 6.5679 6.5679 6.6085 6.6085 6.7303 6.7303 6.7665 6.7665 6.9226 6.9226 7.0313 7.0313 7.5925 7.5925 7.6568 7.6568 8.4930 8.4930 8.5312 8.5312 11.4700 11.4700 11.4759 11.4759 12.6549 12.6549 k = 0.2886 0.4998 0.1700 ( 2634 PWs) bands (ev): -11.2864 -11.2864 -11.2856 -11.2856 -9.5557 -9.5557 -9.5543 -9.5543 -0.0937 -0.0937 -0.0883 -0.0883 0.3598 0.3598 0.3624 0.3624 1.0520 1.0520 1.0607 1.0607 1.4777 1.4777 1.4795 1.4795 3.5626 3.5626 3.5794 3.5794 4.1587 4.1587 4.1706 4.1706 6.5627 6.5627 6.6019 6.6019 6.7340 6.7340 6.7613 6.7613 6.9261 6.9261 7.0229 7.0229 7.6078 7.6078 7.6683 7.6683 8.4859 8.4859 8.5232 8.5232 11.4718 11.4718 11.4775 11.4775 12.6810 12.6810 k = 0.2836 0.4912 0.1700 ( 2630 PWs) bands (ev): -11.2919 -11.2919 -11.2911 -11.2911 -9.5594 -9.5594 -9.5580 -9.5580 -0.1181 -0.1181 -0.1132 -0.1132 0.3529 0.3529 0.3548 0.3548 1.0952 1.0952 1.1042 1.1042 1.4845 1.4845 1.4863 1.4863 3.5653 3.5653 3.5816 3.5816 4.1807 4.1807 4.1931 4.1931 6.5575 6.5575 6.5957 6.5957 6.7368 6.7368 6.7551 6.7551 6.9301 6.9301 7.0145 7.0145 7.6241 7.6241 7.6809 7.6809 8.4779 8.4779 8.5142 8.5142 11.4755 11.4755 11.4810 11.4810 12.7089 12.7089 k = 0.2786 0.4826 0.1700 ( 2636 PWs) bands (ev): -11.2982 -11.2982 -11.2974 -11.2974 -9.5635 -9.5635 -9.5621 -9.5621 -0.1448 -0.1448 -0.1404 -0.1404 0.3492 0.3492 0.3506 0.3506 1.1382 1.1382 1.1474 1.1474 1.4926 1.4926 1.4946 1.4946 3.5694 3.5694 3.5852 3.5852 4.2037 4.2037 4.2166 4.2166 6.5523 6.5523 6.5898 6.5898 6.7386 6.7386 6.7480 6.7480 6.9344 6.9344 7.0062 7.0062 7.6410 7.6410 7.6942 7.6942 8.4689 8.4689 8.5042 8.5042 11.4813 11.4813 11.4865 11.4865 12.7383 12.7383 k = 0.2736 0.4739 0.1700 ( 2636 PWs) bands (ev): -11.3050 -11.3050 -11.3043 -11.3043 -9.5680 -9.5680 -9.5667 -9.5667 -0.1734 -0.1734 -0.1695 -0.1695 0.3485 0.3485 0.3494 0.3494 1.1806 1.1806 1.1899 1.1899 1.5025 1.5025 1.5046 1.5046 3.5750 3.5750 3.5903 3.5903 4.2275 4.2275 4.2409 4.2409 6.5472 6.5472 6.5842 6.5842 6.7394 6.7394 6.7401 6.7401 6.9391 6.9391 6.9985 6.9985 7.6584 7.6584 7.7083 7.7083 8.4591 8.4591 8.4932 8.4932 11.4893 11.4893 11.4942 11.4942 12.7691 12.7691 k = 0.2687 0.4653 0.1700 ( 2644 PWs) bands (ev): -11.3126 -11.3126 -11.3118 -11.3118 -9.5729 -9.5729 -9.5716 -9.5716 -0.2036 -0.2036 -0.2002 -0.2002 0.3507 0.3507 0.3510 0.3510 1.2221 1.2221 1.2316 1.2316 1.5143 1.5143 1.5164 1.5164 3.5823 3.5823 3.5971 3.5971 4.2519 4.2519 4.2657 4.2657 6.5422 6.5422 6.5789 6.5789 6.7316 6.7316 6.7390 6.7390 6.9440 6.9440 6.9915 6.9915 7.6762 7.6762 7.7229 7.7229 8.4485 8.4485 8.4813 8.4813 11.4997 11.4997 11.5044 11.5044 12.8010 12.8010 k = 0.2637 0.4567 0.1700 ( 2636 PWs) bands (ev): -11.3208 -11.3208 -11.3200 -11.3200 -9.5783 -9.5783 -9.5771 -9.5771 -0.2352 -0.2352 -0.2321 -0.2321 0.3554 0.3554 0.3554 0.3554 1.2624 1.2624 1.2720 1.2720 1.5285 1.5285 1.5306 1.5306 3.5913 3.5913 3.6057 3.6057 4.2768 4.2768 4.2911 4.2911 6.5374 6.5374 6.5741 6.5741 6.7227 6.7227 6.7376 6.7376 6.9492 6.9492 6.9854 6.9854 7.6943 7.6943 7.7381 7.7381 8.4371 8.4371 8.4687 8.4687 11.5126 11.5126 11.5170 11.5170 12.8340 12.8340 k = 0.2587 0.4481 0.1700 ( 2640 PWs) bands (ev): -11.3297 -11.3297 -11.3289 -11.3289 -9.5842 -9.5842 -9.5829 -9.5829 -0.2679 -0.2679 -0.2651 -0.2651 0.3623 0.3623 0.3626 0.3626 1.3012 1.3012 1.3107 1.3107 1.5453 1.5453 1.5472 1.5472 3.6019 3.6019 3.6159 3.6159 4.3019 4.3019 4.3166 4.3166 6.5327 6.5327 6.5696 6.5696 6.7136 6.7136 6.7350 6.7350 6.9542 6.9542 6.9800 6.9800 7.7123 7.7123 7.7536 7.7536 8.4250 8.4250 8.4551 8.4551 11.5282 11.5282 11.5323 11.5323 12.8679 12.8679 k = 0.2537 0.4395 0.1700 ( 2644 PWs) bands (ev): -11.3392 -11.3392 -11.3385 -11.3385 -9.5904 -9.5904 -9.5892 -9.5892 -0.3015 -0.3015 -0.2989 -0.2989 0.3715 0.3715 0.3721 0.3721 1.3380 1.3380 1.3473 1.3473 1.5652 1.5652 1.5668 1.5668 3.6143 3.6143 3.6279 3.6279 4.3271 4.3271 4.3422 4.3422 6.5281 6.5281 6.5653 6.5653 6.7042 6.7042 6.7313 6.7313 6.9593 6.9593 6.9756 6.9756 7.7304 7.7304 7.7693 7.7693 8.4122 8.4122 8.4409 8.4409 11.5466 11.5466 11.5503 11.5503 12.9026 12.9026 k = 0.2488 0.4309 0.1700 ( 2648 PWs) bands (ev): -11.3493 -11.3493 -11.3486 -11.3486 -9.5971 -9.5971 -9.5959 -9.5959 -0.3359 -0.3359 -0.3336 -0.3336 0.3830 0.3830 0.3839 0.3839 1.3727 1.3727 1.3815 1.3815 1.5883 1.5883 1.5894 1.5894 3.6284 3.6284 3.6416 3.6416 4.3524 4.3524 4.3678 4.3678 6.5236 6.5236 6.5614 6.5614 6.6950 6.6950 6.7267 6.7267 6.9644 6.9644 6.9722 6.9722 7.7485 7.7485 7.7853 7.7853 8.3989 8.3989 8.4260 8.4260 11.5677 11.5677 11.5710 11.5710 12.9379 12.9379 k = 0.2438 0.4222 0.1700 ( 2652 PWs) bands (ev): -11.3601 -11.3601 -11.3595 -11.3595 -9.6042 -9.6042 -9.6030 -9.6030 -0.3709 -0.3709 -0.3688 -0.3688 0.3968 0.3968 0.3979 0.3979 1.4051 1.4051 1.4133 1.4133 1.6147 1.6147 1.6151 1.6151 3.6443 3.6443 3.6571 3.6571 4.3775 4.3775 4.3932 4.3932 6.5193 6.5193 6.5577 6.5577 6.6858 6.6858 6.7211 6.7211 6.9692 6.9692 6.9696 6.9696 7.7665 7.7665 7.8014 7.8014 8.3850 8.3850 8.4105 8.4105 11.5916 11.5916 11.5946 11.5946 12.9738 12.9738 k = 0.2388 0.4136 0.1700 ( 2656 PWs) bands (ev): -11.3715 -11.3715 -11.3709 -11.3709 -9.6116 -9.6116 -9.6106 -9.6106 -0.4065 -0.4065 -0.4045 -0.4045 0.4128 0.4128 0.4141 0.4141 1.4353 1.4353 1.4428 1.4428 1.6438 1.6438 1.6442 1.6442 3.6619 3.6619 3.6743 3.6743 4.4023 4.4023 4.4183 4.4183 6.5152 6.5152 6.5544 6.5544 6.6769 6.6769 6.7148 6.7148 6.9677 6.9677 6.9737 6.9737 7.7843 7.7843 7.8176 7.8176 8.3708 8.3708 8.3946 8.3946 11.6184 11.6184 11.6210 11.6210 13.0101 13.0101 k = 0.2338 0.4050 0.1700 ( 2660 PWs) bands (ev): -11.3835 -11.3835 -11.3829 -11.3829 -9.6195 -9.6195 -9.6185 -9.6185 -0.4425 -0.4425 -0.4408 -0.4408 0.4310 0.4310 0.4324 0.4324 1.4637 1.4637 1.4704 1.4704 1.6752 1.6752 1.6764 1.6764 3.6812 3.6812 3.6933 3.6933 4.4267 4.4267 4.4430 4.4430 6.5112 6.5112 6.5513 6.5513 6.6683 6.6683 6.7080 6.7080 6.9664 6.9664 6.9780 6.9780 7.8019 7.8019 7.8337 7.8337 8.3562 8.3562 8.3784 8.3784 11.6480 11.6480 11.6503 11.6503 13.0468 13.0468 k = 0.2289 0.3964 0.1700 ( 2668 PWs) bands (ev): -11.3960 -11.3960 -11.3955 -11.3955 -9.6277 -9.6277 -9.6267 -9.6267 -0.4790 -0.4790 -0.4774 -0.4774 0.4514 0.4514 0.4529 0.4529 1.4906 1.4906 1.4965 1.4965 1.7086 1.7086 1.7107 1.7107 3.7021 3.7021 3.7139 3.7139 4.4507 4.4507 4.4671 4.4671 6.5073 6.5073 6.5484 6.5484 6.6601 6.6601 6.7007 6.7007 6.9655 6.9655 6.9818 6.9818 7.8192 7.8192 7.8496 7.8496 8.3415 8.3415 8.3621 8.3621 11.6804 11.6804 11.6823 11.6823 13.0837 13.0837 k = 0.2239 0.3878 0.1700 ( 2664 PWs) bands (ev): -11.4091 -11.4091 -11.4086 -11.4086 -9.6363 -9.6363 -9.6354 -9.6354 -0.5159 -0.5159 -0.5143 -0.5143 0.4739 0.4739 0.4756 0.4756 1.5167 1.5167 1.5218 1.5218 1.7436 1.7436 1.7465 1.7465 3.7247 3.7247 3.7362 3.7362 4.4742 4.4742 4.4908 4.4908 6.5036 6.5036 6.5459 6.5459 6.6525 6.6525 6.6932 6.6932 6.9649 6.9649 6.9852 6.9852 7.8363 7.8363 7.8654 7.8654 8.3268 8.3268 8.3457 8.3457 11.7156 11.7156 11.7171 11.7171 13.1209 13.1209 k = 0.2189 0.3792 0.1700 ( 2668 PWs) bands (ev): -11.4227 -11.4227 -11.4222 -11.4222 -9.6453 -9.6453 -9.6444 -9.6444 -0.5530 -0.5530 -0.5515 -0.5515 0.4986 0.4986 0.5003 0.5003 1.5423 1.5423 1.5467 1.5467 1.7796 1.7796 1.7832 1.7832 3.7488 3.7488 3.7601 3.7601 4.4969 4.4969 4.5136 4.5136 6.5000 6.5000 6.5436 6.5436 6.6453 6.6453 6.6855 6.6855 6.9644 6.9644 6.9881 6.9881 7.8531 7.8531 7.8810 7.8810 8.3120 8.3120 8.3294 8.3294 11.7535 11.7535 11.7547 11.7547 13.1582 13.1582 k = 0.2139 0.3705 0.1700 ( 2664 PWs) bands (ev): -11.4368 -11.4368 -11.4363 -11.4363 -9.6545 -9.6545 -9.6537 -9.6537 -0.5904 -0.5904 -0.5890 -0.5890 0.5254 0.5254 0.5272 0.5272 1.5677 1.5677 1.5716 1.5716 1.8162 1.8162 1.8204 1.8204 3.7745 3.7745 3.7855 3.7855 4.5190 4.5190 4.5358 4.5358 6.4966 6.4966 6.5415 6.5415 6.6388 6.6388 6.6779 6.6779 6.9639 6.9639 6.9904 6.9904 7.8696 7.8696 7.8963 7.8963 8.2976 8.2976 8.3135 8.3135 11.7942 11.7942 11.7950 11.7950 13.1956 13.1956 k = 0.2090 0.3619 0.1700 ( 2664 PWs) bands (ev): -11.4513 -11.4513 -11.4508 -11.4508 -9.6641 -9.6641 -9.6633 -9.6633 -0.6279 -0.6279 -0.6266 -0.6266 0.5543 0.5543 0.5562 0.5562 1.5934 1.5934 1.5967 1.5967 1.8530 1.8530 1.8577 1.8577 3.8016 3.8016 3.8123 3.8123 4.5404 4.5404 4.5572 4.5572 6.4934 6.4934 6.5396 6.5396 6.6328 6.6328 6.6704 6.6704 6.9631 6.9631 6.9920 6.9920 7.8858 7.8858 7.9113 7.9113 8.2835 8.2835 8.2981 8.2981 11.8375 11.8375 11.8378 11.8378 13.2330 13.2330 k = 0.2040 0.3533 0.1700 ( 2666 PWs) bands (ev): -11.4663 -11.4663 -11.4658 -11.4658 -9.6739 -9.6739 -9.6732 -9.6732 -0.6656 -0.6656 -0.6644 -0.6644 0.5853 0.5853 0.5872 0.5872 1.6194 1.6194 1.6223 1.6223 1.8896 1.8896 1.8948 1.8948 3.8300 3.8300 3.8405 3.8405 4.5610 4.5610 4.5777 4.5777 6.4903 6.4903 6.5378 6.5378 6.6275 6.6275 6.6632 6.6632 6.9620 6.9620 6.9927 6.9927 7.9017 7.9017 7.9259 7.9259 8.2698 8.2698 8.2832 8.2832 11.8833 11.8833 11.8833 11.8833 13.2703 13.2703 k = 0.1990 0.3447 0.1700 ( 2662 PWs) bands (ev): -11.4816 -11.4816 -11.4812 -11.4812 -9.6840 -9.6840 -9.6833 -9.6833 -0.7033 -0.7033 -0.7022 -0.7022 0.6182 0.6182 0.6202 0.6202 1.6461 1.6461 1.6486 1.6486 1.9260 1.9260 1.9315 1.9315 3.8598 3.8598 3.8700 3.8700 4.5807 4.5807 4.5974 4.5974 6.4874 6.4874 6.5363 6.5363 6.6228 6.6228 6.6563 6.6563 6.9605 6.9605 6.9927 6.9927 7.9174 7.9174 7.9400 7.9400 8.2568 8.2568 8.2693 8.2693 11.9313 11.9313 11.9316 11.9316 13.3074 13.3074 k = 0.1940 0.3361 0.1700 ( 2662 PWs) bands (ev): -11.4973 -11.4973 -11.4969 -11.4969 -9.6944 -9.6944 -9.6937 -9.6937 -0.7410 -0.7410 -0.7400 -0.7400 0.6531 0.6531 0.6551 0.6551 1.6734 1.6734 1.6755 1.6755 1.9617 1.9617 1.9676 1.9676 3.8908 3.8908 3.9008 3.9008 4.5997 4.5997 4.6161 4.6161 6.4846 6.4846 6.5348 6.5348 6.6187 6.6187 6.6496 6.6496 6.9583 6.9583 6.9918 6.9918 7.9327 7.9327 7.9535 7.9535 8.2446 8.2446 8.2564 8.2564 11.9816 11.9816 11.9823 11.9823 13.3443 13.3443 k = 0.1891 0.3275 0.1700 ( 2666 PWs) bands (ev): -11.5133 -11.5133 -11.5129 -11.5129 -9.7050 -9.7050 -9.7043 -9.7043 -0.7787 -0.7787 -0.7777 -0.7777 0.6898 0.6898 0.6919 0.6919 1.7015 1.7015 1.7033 1.7033 1.9968 1.9968 2.0029 2.0029 3.9230 3.9230 3.9326 3.9326 4.6178 4.6178 4.6340 4.6340 6.4820 6.4820 6.5335 6.5335 6.6151 6.6151 6.6433 6.6433 6.9554 6.9554 6.9900 6.9900 7.9476 7.9476 7.9663 7.9663 8.2332 8.2332 8.2448 8.2448 12.0343 12.0343 12.0354 12.0354 13.3809 13.3809 k = 0.1841 0.3188 0.1700 ( 2662 PWs) bands (ev): -11.5295 -11.5295 -11.5292 -11.5292 -9.7157 -9.7157 -9.7151 -9.7151 -0.8163 -0.8163 -0.8154 -0.8154 0.7284 0.7284 0.7304 0.7304 1.7303 1.7303 1.7318 1.7318 2.0310 2.0310 2.0374 2.0374 3.9562 3.9562 3.9656 3.9656 4.6351 4.6351 4.6511 4.6511 6.4797 6.4797 6.5324 6.5324 6.6121 6.6121 6.6374 6.6374 6.9518 6.9518 6.9871 6.9871 7.9622 7.9622 7.9784 7.9784 8.2229 8.2229 8.2347 8.2347 12.0892 12.0892 12.0906 12.0906 13.4171 13.4171 k = 0.1791 0.3102 0.1700 ( 2662 PWs) bands (ev): -11.5460 -11.5460 -11.5457 -11.5457 -9.7266 -9.7266 -9.7260 -9.7260 -0.8537 -0.8537 -0.8528 -0.8528 0.7687 0.7687 0.7707 0.7707 1.7600 1.7600 1.7612 1.7612 2.0643 2.0643 2.0708 2.0708 3.9903 3.9903 3.9995 3.9995 4.6516 4.6516 4.6672 4.6672 6.4776 6.4776 6.5312 6.5312 6.6096 6.6096 6.6320 6.6320 6.9473 6.9473 6.9833 6.9833 7.9764 7.9764 7.9896 7.9896 8.2138 8.2138 8.2264 8.2264 12.1462 12.1462 12.1480 12.1480 13.4527 13.4527 k = 0.1741 0.3016 0.1700 ( 2666 PWs) bands (ev): -11.5627 -11.5627 -11.5624 -11.5624 -9.7377 -9.7377 -9.7371 -9.7371 -0.8908 -0.8908 -0.8901 -0.8901 0.8105 0.8105 0.8126 0.8126 1.7904 1.7904 1.7914 1.7914 2.0966 2.0966 2.1033 2.1033 4.0254 4.0254 4.0342 4.0342 4.6673 4.6673 4.6826 4.6826 6.4756 6.4756 6.5301 6.5301 6.6075 6.6075 6.6269 6.6269 6.9421 6.9421 6.9784 6.9784 7.9902 7.9902 8.0000 8.0000 8.2060 8.2060 8.2198 8.2198 12.2052 12.2052 12.2073 12.2073 13.4876 13.4876 k = 0.1692 0.2930 0.1700 ( 2662 PWs) bands (ev): -11.5795 -11.5795 -11.5792 -11.5792 -9.7488 -9.7488 -9.7483 -9.7483 -0.9277 -0.9277 -0.9269 -0.9269 0.8538 0.8538 0.8559 0.8559 1.8216 1.8216 1.8224 1.8224 2.1278 2.1278 2.1346 2.1346 4.0612 4.0612 4.0697 4.0697 4.6823 4.6823 4.6972 4.6972 6.4739 6.4739 6.5291 6.5291 6.6058 6.6058 6.6223 6.6223 6.9360 6.9360 6.9725 6.9725 8.0036 8.0036 8.0093 8.0093 8.1996 8.1996 8.2153 8.2153 12.2661 12.2661 12.2686 12.2686 13.5216 13.5216 k = 0.1642 0.2844 0.1700 ( 2662 PWs) bands (ev): -11.5964 -11.5964 -11.5961 -11.5961 -9.7601 -9.7601 -9.7596 -9.7596 -0.9642 -0.9642 -0.9635 -0.9635 0.8986 0.8986 0.9007 0.9007 1.8536 1.8536 1.8541 1.8541 2.1579 2.1579 2.1647 2.1647 4.0977 4.0977 4.1058 4.1058 4.6966 4.6966 4.7111 4.7111 6.4724 6.4724 6.5281 6.5281 6.6045 6.6045 6.6181 6.6181 6.9290 6.9290 6.9656 6.9656 8.0165 8.0165 8.0176 8.0176 8.1947 8.1947 8.2129 8.2129 12.3289 12.3289 12.3317 12.3317 13.5544 13.5545 k = 0.1592 0.2757 0.1700 ( 2654 PWs) bands (ev): -11.6134 -11.6134 -11.6131 -11.6131 -9.7713 -9.7713 -9.7709 -9.7709 -1.0002 -1.0002 -0.9996 -0.9996 0.9446 0.9446 0.9467 0.9467 1.8863 1.8863 1.8866 1.8866 2.1867 2.1867 2.1937 2.1937 4.1347 4.1347 4.1425 4.1425 4.7102 4.7102 4.7243 4.7243 6.4711 6.4711 6.5272 6.5272 6.6035 6.6035 6.6143 6.6143 6.9212 6.9212 6.9577 6.9577 8.0251 8.0251 8.0289 8.0289 8.1916 8.1916 8.2126 8.2126 12.3933 12.3933 12.3964 12.3964 13.5856 13.5856 k = 0.1542 0.2671 0.1700 ( 2658 PWs) bands (ev): -11.6303 -11.6303 -11.6301 -11.6301 -9.7826 -9.7826 -9.7822 -9.7822 -1.0358 -1.0358 -1.0352 -1.0352 0.9916 0.9916 0.9937 0.9937 1.9196 1.9196 1.9197 1.9197 2.2144 2.2144 2.2213 2.2213 4.1720 4.1720 4.1794 4.1794 4.7233 4.7233 4.7369 4.7369 6.4700 6.4700 6.5262 6.5262 6.6028 6.6028 6.6107 6.6107 6.9125 6.9125 6.9487 6.9487 8.0317 8.0317 8.0406 8.0406 8.1901 8.1901 8.2143 8.2143 12.4593 12.4593 12.4627 12.4627 13.6136 13.6136 k = 0.1493 0.2585 0.1700 ( 2660 PWs) bands (ev): -11.6473 -11.6473 -11.6471 -11.6471 -9.7939 -9.7939 -9.7936 -9.7936 -1.0708 -1.0708 -1.0703 -1.0703 1.0397 1.0397 1.0418 1.0418 1.9533 1.9533 1.9534 1.9534 2.2408 2.2408 2.2477 2.2477 4.2096 4.2096 4.2166 4.2166 4.7359 4.7359 4.7490 4.7490 6.4690 6.4690 6.5252 6.5252 6.6022 6.6022 6.6074 6.6074 6.9030 6.9030 6.9389 6.9389 8.0377 8.0377 8.0516 8.0516 8.1904 8.1904 8.2179 8.2179 12.5266 12.5266 12.5303 12.5303 13.6349 13.6349 k = 0.1443 0.2499 0.1700 ( 2662 PWs) bands (ev): -11.6642 -11.6642 -11.6640 -11.6640 -9.8052 -9.8052 -9.8049 -9.8049 -1.1053 -1.1053 -1.1048 -1.1048 1.0887 1.0887 1.0907 1.0907 1.9874 1.9874 1.9878 1.9878 2.2660 2.2660 2.2729 2.2729 4.2474 4.2474 4.2539 4.2539 4.7480 4.7480 4.7607 4.7607 6.4682 6.4682 6.5242 6.5242 6.6017 6.6017 6.6044 6.6044 6.8928 6.8928 6.9281 6.9281 8.0434 8.0434 8.0621 8.0621 8.1925 8.1925 8.2230 8.2230 12.5951 12.5951 12.5992 12.5992 13.6381 13.6381 k = 0.1393 0.2413 0.1700 ( 2658 PWs) bands (ev): -11.6809 -11.6809 -11.6808 -11.6808 -9.8164 -9.8164 -9.8161 -9.8161 -1.1390 -1.1390 -1.1386 -1.1386 1.1383 1.1383 1.1404 1.1404 2.0220 2.0220 2.0225 2.0225 2.2899 2.2899 2.2968 2.2968 4.2853 4.2853 4.2912 4.2912 4.7598 4.7598 4.7720 4.7720 6.4676 6.4676 6.5232 6.5232 6.6014 6.6014 6.6016 6.6016 6.8821 6.8821 6.9167 6.9167 8.0491 8.0491 8.0721 8.0721 8.1964 8.1964 8.2295 8.2295 12.6647 12.6647 12.6690 12.6690 13.5986 13.5988 k = 0.1343 0.2327 0.1700 ( 2656 PWs) bands (ev): -11.6975 -11.6975 -11.6974 -11.6974 -9.8275 -9.8275 -9.8272 -9.8272 -1.1721 -1.1721 -1.1717 -1.1717 1.1886 1.1886 1.1906 1.1906 2.0567 2.0567 2.0574 2.0574 2.3125 2.3125 2.3194 2.3194 4.3230 4.3230 4.3284 4.3284 4.7713 4.7713 4.7832 4.7832 6.4670 6.4670 6.5221 6.5221 6.5990 6.5990 6.6011 6.6011 6.8708 6.8708 6.9046 6.9046 8.0551 8.0551 8.0816 8.0816 8.2017 8.2017 8.2369 8.2369 12.7350 12.7350 12.7396 12.7396 13.5172 13.5172 k = 0.1294 0.2240 0.1700 ( 2660 PWs) bands (ev): -11.7139 -11.7139 -11.7138 -11.7138 -9.8385 -9.8385 -9.8383 -9.8383 -1.2045 -1.2045 -1.2041 -1.2041 1.2392 1.2392 1.2412 1.2412 2.0915 2.0915 2.0925 2.0925 2.3339 2.3339 2.3406 2.3406 4.3605 4.3605 4.3652 4.3652 4.7826 4.7826 4.7941 4.7941 6.4666 6.4666 6.5210 6.5210 6.5966 6.5966 6.6007 6.6007 6.8591 6.8591 6.8919 6.8919 8.0614 8.0614 8.0909 8.0909 8.2083 8.2083 8.2451 8.2451 12.8056 12.8056 12.8105 12.8105 13.4211 13.4211 k = 0.1244 0.2154 0.1700 ( 2654 PWs) bands (ev): -11.7301 -11.7301 -11.7299 -11.7299 -9.8493 -9.8493 -9.8491 -9.8491 -1.2360 -1.2360 -1.2357 -1.2357 1.2902 1.2902 1.2922 1.2922 2.1264 2.1264 2.1275 2.1275 2.3541 2.3541 2.3607 2.3607 4.3977 4.3977 4.4018 4.4018 4.7938 4.7938 4.8050 4.8050 6.4663 6.4663 6.5198 6.5198 6.5942 6.5942 6.6004 6.6004 6.8470 6.8470 6.8787 6.8787 8.0685 8.0685 8.1002 8.1002 8.2161 8.2161 8.2539 8.2539 12.8758 12.8758 12.8810 12.8810 13.3217 13.3217 k = 0.1194 0.2068 0.1700 ( 2662 PWs) bands (ev): -11.7459 -11.7459 -11.7458 -11.7458 -9.8600 -9.8600 -9.8598 -9.8598 -1.2666 -1.2666 -1.2664 -1.2664 1.3413 1.3413 1.3432 1.3432 2.1610 2.1610 2.1623 2.1623 2.3730 2.3730 2.3795 2.3795 4.4344 4.4344 4.4376 4.4376 4.8048 4.8048 4.8157 4.8157 6.4660 6.4660 6.5184 6.5184 6.5919 6.5919 6.5999 6.5999 6.8347 6.8347 6.8651 6.8651 8.0763 8.0763 8.1096 8.1096 8.2246 8.2246 8.2629 8.2629 12.9429 12.9429 12.9487 12.9487 13.2243 13.2243 k = 0.1144 0.1982 0.1700 ( 2664 PWs) bands (ev): -11.7615 -11.7615 -11.7614 -11.7614 -9.8705 -9.8705 -9.8703 -9.8703 -1.2964 -1.2964 -1.2961 -1.2961 1.3924 1.3924 1.3943 1.3943 2.1952 2.1952 2.1967 2.1967 2.3908 2.3908 2.3972 2.3972 4.4705 4.4705 4.4730 4.4730 4.8158 4.8158 4.8265 4.8265 6.4658 6.4658 6.5170 6.5170 6.5896 6.5896 6.5994 6.5994 6.8221 6.8221 6.8512 6.8512 8.0850 8.0850 8.1193 8.1193 8.2338 8.2338 8.2720 8.2720 12.9946 12.9946 13.0007 13.0007 13.1428 13.1428 k = 0.1095 0.1896 0.1700 ( 2656 PWs) bands (ev): -11.7766 -11.7766 -11.7765 -11.7765 -9.8807 -9.8807 -9.8806 -9.8806 -1.3252 -1.3252 -1.3250 -1.3250 1.4435 1.4435 1.4452 1.4452 2.2289 2.2289 2.2306 2.2306 2.4074 2.4074 2.4137 2.4137 4.5062 4.5062 4.5078 4.5078 4.8268 4.8268 4.8374 4.8374 6.4657 6.4657 6.5154 6.5154 6.5875 6.5875 6.5987 6.5987 6.8096 6.8096 6.8372 6.8372 8.0948 8.0948 8.1296 8.1296 8.2434 8.2434 8.2812 8.2812 12.9716 12.9716 12.9752 12.9752 13.1371 13.1371 k = 0.1045 0.1810 0.1700 ( 2644 PWs) bands (ev): -11.7914 -11.7914 -11.7913 -11.7913 -9.8907 -9.8907 -9.8905 -9.8905 -1.3530 -1.3530 -1.3528 -1.3528 1.4942 1.4942 1.4959 1.4959 2.2620 2.2620 2.2638 2.2638 2.4230 2.4230 2.4290 2.4290 4.5413 4.5413 4.5419 4.5419 4.8379 4.8379 4.8484 4.8484 6.4656 6.4656 6.5137 6.5137 6.5855 6.5855 6.5979 6.5979 6.7971 6.7971 6.8230 6.8230 8.1056 8.1056 8.1404 8.1404 8.2532 8.2532 8.2903 8.2903 12.8871 12.8871 12.8891 12.8891 13.1941 13.1941 k = 0.0995 0.1723 0.1700 ( 2640 PWs) bands (ev): -11.8057 -11.8057 -11.8056 -11.8056 -9.9004 -9.9004 -9.9003 -9.9003 -1.3798 -1.3798 -1.3796 -1.3796 1.5446 1.5446 1.5461 1.5461 2.2940 2.2940 2.2961 2.2961 2.4374 2.4374 2.4433 2.4433 4.5751 4.5751 4.5754 4.5754 4.8491 4.8491 4.8596 4.8596 6.4656 6.4656 6.5118 6.5118 6.5833 6.5833 6.5969 6.5969 6.7845 6.7845 6.8087 6.8087 8.1174 8.1174 8.1519 8.1519 8.2630 8.2630 8.2992 8.2992 12.7926 12.7926 12.7941 12.7941 13.2624 13.2624 k = 0.0945 0.1637 0.1700 ( 2644 PWs) bands (ev): -11.8196 -11.8196 -11.8195 -11.8195 -9.9098 -9.9098 -9.9097 -9.9097 -1.4055 -1.4055 -1.4054 -1.4054 1.5943 1.5943 1.5958 1.5958 2.3248 2.3248 2.3271 2.3271 2.4508 2.4508 2.4565 2.4565 4.6075 4.6075 4.6088 4.6088 4.8602 4.8602 4.8707 4.8707 6.4654 6.4654 6.5096 6.5096 6.5812 6.5812 6.5956 6.5956 6.7721 6.7721 6.7944 6.7944 8.1302 8.1302 8.1640 8.1640 8.2728 8.2728 8.3078 8.3078 12.6974 12.6974 12.6985 12.6985 13.3328 13.3328 k = 0.0896 0.1551 0.1700 ( 2648 PWs) bands (ev): -11.8329 -11.8329 -11.8329 -11.8329 -9.9188 -9.9188 -9.9187 -9.9187 -1.4301 -1.4301 -1.4300 -1.4300 1.6433 1.6433 1.6447 1.6447 2.3543 2.3543 2.3567 2.3567 2.4632 2.4632 2.4687 2.4687 4.6391 4.6391 4.6414 4.6414 4.8714 4.8714 4.8819 4.8819 6.4653 6.4653 6.5073 6.5073 6.5790 6.5790 6.5941 6.5941 6.7597 6.7597 6.7801 6.7801 8.1438 8.1438 8.1767 8.1767 8.2823 8.2823 8.3160 8.3160 12.6034 12.6034 12.6043 12.6043 13.4035 13.4035 k = 0.0846 0.1465 0.1700 ( 2646 PWs) bands (ev): -11.8458 -11.8458 -11.8457 -11.8457 -9.9275 -9.9275 -9.9275 -9.9275 -1.4536 -1.4536 -1.4535 -1.4535 1.6916 1.6916 1.6929 1.6929 2.3823 2.3823 2.3848 2.3848 2.4746 2.4746 2.4799 2.4799 4.6699 4.6699 4.6731 4.6731 4.8826 4.8826 4.8932 4.8932 6.4653 6.4653 6.5047 6.5047 6.5770 6.5770 6.5924 6.5924 6.7477 6.7477 6.7660 6.7660 8.1584 8.1584 8.1901 8.1901 8.2917 8.2917 8.3239 8.3239 12.5116 12.5116 12.5124 12.5124 13.4736 13.4736 k = 0.0796 0.1379 0.1700 ( 2646 PWs) bands (ev): -11.8580 -11.8580 -11.8580 -11.8580 -9.9359 -9.9359 -9.9358 -9.9358 -1.4759 -1.4759 -1.4758 -1.4758 1.7390 1.7390 1.7402 1.7402 2.4084 2.4084 2.4110 2.4110 2.4851 2.4851 2.4902 2.4902 4.6997 4.6997 4.7039 4.7039 4.8937 4.8937 4.9044 4.9044 6.4652 6.4652 6.5019 6.5019 6.5749 6.5749 6.5905 6.5905 6.7358 6.7358 6.7521 6.7521 8.1737 8.1737 8.2040 8.2040 8.3008 8.3008 8.3313 8.3313 12.4225 12.4225 12.4231 12.4231 13.5426 13.5426 k = 0.0746 0.1293 0.1700 ( 2638 PWs) bands (ev): -11.8697 -11.8697 -11.8697 -11.8697 -9.9438 -9.9438 -9.9438 -9.9438 -1.4969 -1.4969 -1.4969 -1.4969 1.7853 1.7853 1.7864 1.7864 2.4326 2.4326 2.4353 2.4353 2.4948 2.4948 2.4997 2.4997 4.7289 4.7289 4.7338 4.7338 4.9049 4.9049 4.9156 4.9156 6.4651 6.4651 6.4989 6.4989 6.5729 6.5729 6.5883 6.5883 6.7244 6.7244 6.7386 6.7386 8.1896 8.1896 8.2183 8.2183 8.3095 8.3095 8.3383 8.3383 12.3364 12.3364 12.3369 12.3369 13.6102 13.6102 k = 0.0697 0.1206 0.1700 ( 2650 PWs) bands (ev): -11.8807 -11.8807 -11.8807 -11.8807 -9.9514 -9.9514 -9.9513 -9.9513 -1.5168 -1.5168 -1.5168 -1.5168 1.8303 1.8303 1.8313 1.8313 2.4546 2.4546 2.4574 2.4574 2.5036 2.5036 2.5083 2.5083 4.7571 4.7571 4.7628 4.7628 4.9157 4.9157 4.9263 4.9263 6.4649 6.4649 6.4956 6.4956 6.5707 6.5707 6.5858 6.5858 6.7133 6.7133 6.7254 6.7254 8.2058 8.2058 8.2328 8.2328 8.3179 8.3179 8.3448 8.3448 12.2538 12.2538 12.2542 12.2542 13.6758 13.6758 k = 0.0647 0.1120 0.1700 ( 2654 PWs) bands (ev): -11.8911 -11.8911 -11.8911 -11.8911 -9.9584 -9.9584 -9.9584 -9.9584 -1.5355 -1.5355 -1.5354 -1.5354 1.8740 1.8740 1.8749 1.8749 2.4743 2.4743 2.4772 2.4772 2.5117 2.5117 2.5162 2.5162 4.7844 4.7844 4.7907 4.7907 4.9263 4.9263 4.9368 4.9368 6.4647 6.4647 6.4921 6.4921 6.5686 6.5686 6.5830 6.5830 6.7027 6.7027 6.7128 6.7128 8.2223 8.2223 8.2474 8.2474 8.3258 8.3258 8.3508 8.3508 12.1749 12.1749 12.1752 12.1752 13.7392 13.7392 k = 0.0597 0.1034 0.1700 ( 2658 PWs) bands (ev): -11.9009 -11.9009 -11.9009 -11.9009 -9.9651 -9.9651 -9.9651 -9.9651 -1.5528 -1.5528 -1.5528 -1.5528 1.9163 1.9163 1.9170 1.9170 2.4916 2.4916 2.4945 2.4945 2.5192 2.5192 2.5234 2.5234 4.8110 4.8110 4.8177 4.8177 4.9366 4.9366 4.9469 4.9469 6.4644 6.4644 6.4885 6.4885 6.5665 6.5665 6.5800 6.5800 6.6926 6.6926 6.7007 6.7007 8.2388 8.2388 8.2619 8.2619 8.3334 8.3334 8.3563 8.3563 12.1002 12.1002 12.1004 12.1004 13.8000 13.8002 k = 0.0547 0.0948 0.1700 ( 2656 PWs) bands (ev): -11.9099 -11.9099 -11.9099 -11.9099 -9.9713 -9.9713 -9.9712 -9.9712 -1.5688 -1.5688 -1.5688 -1.5688 1.9568 1.9568 1.9574 1.9574 2.5065 2.5065 2.5093 2.5093 2.5261 2.5261 2.5300 2.5300 4.8365 4.8365 4.8435 4.8435 4.9466 4.9466 4.9565 4.9565 6.4641 6.4641 6.4846 6.4846 6.5644 6.5644 6.5767 6.5767 6.6833 6.6833 6.6895 6.6895 8.2553 8.2553 8.2761 8.2761 8.3407 8.3407 8.3613 8.3613 12.0298 12.0298 12.0300 12.0300 13.8579 13.8584 k = 0.0498 0.0862 0.1700 ( 2654 PWs) bands (ev): -11.9182 -11.9182 -11.9182 -11.9182 -9.9769 -9.9769 -9.9769 -9.9769 -1.5835 -1.5835 -1.5835 -1.5835 1.9955 1.9955 1.9960 1.9960 2.5188 2.5188 2.5212 2.5212 2.5327 2.5327 2.5360 2.5360 4.8609 4.8609 4.8680 4.8680 4.9561 4.9561 4.9655 4.9655 6.4636 6.4636 6.4807 6.4807 6.5623 6.5623 6.5731 6.5731 6.6745 6.6745 6.6792 6.6792 8.2714 8.2714 8.2899 8.2899 8.3476 8.3476 8.3659 8.3659 11.9643 11.9643 11.9645 11.9645 13.9125 13.9127 k = 0.0448 0.0776 0.1700 ( 2652 PWs) bands (ev): -11.9258 -11.9258 -11.9258 -11.9258 -9.9821 -9.9821 -9.9821 -9.9821 -1.5969 -1.5969 -1.5969 -1.5969 2.0321 2.0321 2.0325 2.0325 2.5285 2.5285 2.5302 2.5302 2.5392 2.5392 2.5416 2.5416 4.8840 4.8840 4.8910 4.8910 4.9651 4.9651 4.9738 4.9738 6.4629 6.4629 6.4766 6.4766 6.5601 6.5601 6.5693 6.5693 6.6666 6.6666 6.6699 6.6699 8.2868 8.2868 8.3028 8.3028 8.3543 8.3543 8.3700 8.3700 11.9039 11.9039 11.9040 11.9040 13.9633 13.9637 k = 0.0398 0.0689 0.1700 ( 2652 PWs) bands (ev): -11.9326 -11.9326 -11.9326 -11.9326 -9.9868 -9.9868 -9.9868 -9.9868 -1.6089 -1.6089 -1.6089 -1.6089 2.0663 2.0663 2.0667 2.0667 2.5360 2.5360 2.5367 2.5367 2.5452 2.5452 2.5465 2.5465 4.9057 4.9057 4.9122 4.9122 4.9735 4.9735 4.9814 4.9814 6.4621 6.4621 6.4726 6.4726 6.5580 6.5580 6.5654 6.5654 6.6595 6.6595 6.6617 6.6617 8.3014 8.3014 8.3146 8.3146 8.3607 8.3607 8.3738 8.3738 11.8488 11.8488 11.8489 11.8489 14.0101 14.0107 k = 0.0348 0.0603 0.1700 ( 2656 PWs) bands (ev): -11.9387 -11.9387 -11.9387 -11.9387 -9.9910 -9.9910 -9.9910 -9.9910 -1.6195 -1.6195 -1.6195 -1.6195 2.0980 2.0980 2.0982 2.0982 2.5415 2.5415 2.5416 2.5416 2.5502 2.5502 2.5506 2.5506 4.9255 4.9255 4.9315 4.9315 4.9814 4.9814 4.9883 4.9883 6.4609 6.4609 6.4686 6.4686 6.5558 6.5558 6.5614 6.5614 6.6533 6.6533 6.6546 6.6546 8.3147 8.3147 8.3252 8.3252 8.3668 8.3668 8.3772 8.3772 11.7994 11.7994 11.7995 11.7995 14.0525 14.0528 k = 0.0299 0.0517 0.1700 ( 2660 PWs) bands (ev): -11.9440 -11.9440 -11.9440 -11.9440 -9.9946 -9.9946 -9.9946 -9.9946 -1.6288 -1.6288 -1.6288 -1.6288 2.1267 2.1267 2.1269 2.1269 2.5454 2.5454 2.5457 2.5457 2.5536 2.5536 2.5537 2.5537 4.9433 4.9433 4.9483 4.9483 4.9888 4.9888 4.9944 4.9944 6.4596 6.4596 6.4648 6.4648 6.5537 6.5537 6.5576 6.5576 6.6479 6.6479 6.6487 6.6487 8.3265 8.3265 8.3342 8.3342 8.3728 8.3728 8.3804 8.3804 11.7560 11.7560 11.7560 11.7560 14.0898 14.0913 k = 0.0249 0.0431 0.1700 ( 2660 PWs) bands (ev): -11.9485 -11.9485 -11.9485 -11.9485 -9.9977 -9.9977 -9.9977 -9.9977 -1.6366 -1.6366 -1.6366 -1.6366 2.1521 2.1521 2.1522 2.1522 2.5485 2.5485 2.5490 2.5490 2.5554 2.5554 2.5557 2.5557 4.9586 4.9586 4.9625 4.9625 4.9957 4.9957 5.0000 5.0000 6.4582 6.4582 6.4614 6.4614 6.5517 6.5517 6.5542 6.5542 6.6435 6.6435 6.6439 6.6439 8.3367 8.3367 8.3417 8.3417 8.3784 8.3784 8.3834 8.3834 11.7188 11.7188 11.7188 11.7188 14.1223 14.1227 k = 0.0199 0.0345 0.1700 ( 2660 PWs) bands (ev): -11.9521 -11.9521 -11.9521 -11.9521 -10.0002 -10.0002 -10.0002 -10.0002 -1.6430 -1.6430 -1.6430 -1.6430 2.1738 2.1738 2.1739 2.1739 2.5510 2.5510 2.5514 2.5514 2.5562 2.5562 2.5566 2.5566 4.9712 4.9712 4.9738 4.9738 5.0022 5.0022 5.0050 5.0050 6.4567 6.4567 6.4584 6.4584 6.5499 6.5499 6.5513 6.5513 6.6400 6.6400 6.6401 6.6401 8.3448 8.3448 8.3476 8.3476 8.3834 8.3834 8.3862 8.3862 11.6880 11.6880 11.6880 11.6880 14.1494 14.1503 k = 0.0149 0.0259 0.1700 ( 2658 PWs) bands (ev): -11.9550 -11.9550 -11.9550 -11.9550 -10.0022 -10.0022 -10.0022 -10.0022 -1.6480 -1.6480 -1.6480 -1.6480 2.1914 2.1914 2.1914 2.1914 2.5529 2.5529 2.5533 2.5533 2.5563 2.5563 2.5567 2.5567 4.9808 4.9808 4.9820 4.9820 5.0081 5.0081 5.0094 5.0094 6.4552 6.4552 6.4560 6.4560 6.5484 6.5484 6.5490 6.5490 6.6373 6.6373 6.6373 6.6373 8.3509 8.3509 8.3522 8.3522 8.3876 8.3876 8.3889 8.3889 11.6638 11.6638 11.6638 11.6638 14.1706 14.1715 k = 0.0100 0.0172 0.1700 ( 2654 PWs) bands (ev): -11.9571 -11.9571 -11.9571 -11.9571 -10.0036 -10.0036 -10.0036 -10.0036 -1.6516 -1.6516 -1.6516 -1.6516 2.2043 2.2043 2.2043 2.2043 2.5543 2.5543 2.5545 2.5545 2.5561 2.5561 2.5564 2.5564 4.9872 4.9872 4.9876 4.9876 5.0127 5.0127 5.0132 5.0132 6.4540 6.4540 6.4543 6.4543 6.5472 6.5472 6.5474 6.5474 6.6354 6.6354 6.6354 6.6354 8.3550 8.3550 8.3554 8.3554 8.3908 8.3908 8.3912 8.3912 11.6465 11.6465 11.6465 11.6465 14.1857 14.1858 k = 0.0050 0.0086 0.1700 ( 2654 PWs) bands (ev): -11.9583 -11.9583 -11.9583 -11.9583 -10.0044 -10.0044 -10.0044 -10.0044 -1.6537 -1.6537 -1.6537 -1.6537 2.2123 2.2123 2.2123 2.2123 2.5552 2.5552 2.5552 2.5552 2.5558 2.5558 2.5559 2.5559 4.9907 4.9907 4.9908 4.9908 5.0157 5.0157 5.0158 5.0158 6.4532 6.4532 6.4532 6.4532 6.5465 6.5465 6.5465 6.5465 6.6343 6.6343 6.6343 6.6343 8.3572 8.3572 8.3573 8.3573 8.3927 8.3927 8.3928 8.3928 11.6360 11.6360 11.6360 11.6360 14.1939 14.1939 k = 0.0000 0.0000 0.1700 ( 2652 PWs) bands (ev): -11.9587 -11.9587 -11.9587 -11.9587 -10.0047 -10.0047 -10.0047 -10.0047 -1.6544 -1.6544 -1.6544 -1.6544 2.2150 2.2150 2.2150 2.2150 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 2.5556 4.9918 4.9918 4.9918 4.9918 5.0167 5.0167 5.0167 5.0167 6.4529 6.4529 6.4529 6.4529 6.5462 6.5462 6.5462 6.5462 6.6339 6.6339 6.6339 6.6339 8.3580 8.3580 8.3580 8.3580 8.3933 8.3933 8.3933 8.3933 11.6325 11.6325 11.6325 11.6325 14.1961 14.1962 k = 0.5000 0.2887 0.1700 ( 2652 PWs) bands (ev): -11.3422 -11.3422 -11.3422 -11.3422 -9.5936 -9.5936 -9.5936 -9.5936 -0.2067 -0.2067 -0.2067 -0.2067 -0.1545 -0.1545 -0.1545 -0.1545 1.3274 1.3274 1.3274 1.3274 2.1569 2.1569 2.1569 2.1569 3.4144 3.4144 3.4144 3.4144 4.6754 4.6754 4.6754 4.6754 6.2571 6.2571 6.2571 6.2571 6.8838 6.8838 6.8838 6.8838 7.0332 7.0332 7.0332 7.0332 8.0383 8.0383 8.0383 8.0383 8.3258 8.3258 8.3258 8.3258 11.0584 11.0584 11.0584 11.0584 13.5292 13.5292 k = 0.5000 0.2887 0.1600 ( 2656 PWs) bands (ev): -11.3434 -11.3434 -11.3411 -11.3411 -9.5957 -9.5957 -9.5915 -9.5915 -0.2494 -0.2494 -0.1905 -0.1905 -0.1613 -0.1613 -0.1172 -0.1172 1.3128 1.3128 1.3371 1.3371 2.1500 2.1500 2.1639 2.1639 3.3519 3.3519 3.4795 3.4795 4.6350 4.6350 4.7170 4.7170 6.2442 6.2442 6.2692 6.2692 6.8830 6.8830 6.8845 6.8845 7.0276 7.0276 7.0387 7.0387 7.9535 7.9535 8.1229 8.1229 8.3017 8.3017 8.3506 8.3506 11.0017 11.0017 11.1140 11.1140 13.4347 13.4347 k = 0.5000 0.2887 0.1500 ( 2660 PWs) bands (ev): -11.3445 -11.3445 -11.3400 -11.3400 -9.5977 -9.5977 -9.5894 -9.5894 -0.2899 -0.2899 -0.2242 -0.2242 -0.1144 -0.1144 -0.0784 -0.0784 1.2936 1.2936 1.3414 1.3414 2.1432 2.1432 2.1710 2.1710 3.2926 3.2926 3.5465 3.5465 4.5960 4.5960 4.7596 4.7596 6.2304 6.2304 6.2802 6.2802 6.8821 6.8821 6.8851 6.8851 7.0217 7.0217 7.0438 7.0438 7.8696 7.8696 8.2052 8.2052 8.2805 8.2805 8.3757 8.3757 10.9447 10.9447 11.1680 11.1680 13.3398 13.3398 k = 0.5000 0.2887 0.1400 ( 2666 PWs) bands (ev): -11.3456 -11.3456 -11.3389 -11.3389 -9.5998 -9.5998 -9.5874 -9.5874 -0.3280 -0.3280 -0.2563 -0.2563 -0.0652 -0.0652 -0.0380 -0.0380 1.2702 1.2702 1.3400 1.3400 2.1366 2.1366 2.1781 2.1781 3.2368 3.2368 3.6148 3.6148 4.5586 4.5586 4.8029 4.8029 6.2156 6.2156 6.2904 6.2904 6.8810 6.8810 6.8855 6.8855 7.0157 7.0157 7.0487 7.0487 7.7870 7.7870 8.2438 8.2438 8.3029 8.3029 8.4007 8.4007 10.8879 10.8879 11.2197 11.2197 13.2451 13.2451 k = 0.5000 0.2887 0.1300 ( 2662 PWs) bands (ev): -11.3466 -11.3466 -11.3378 -11.3378 -9.6018 -9.6018 -9.5854 -9.5854 -0.3637 -0.3637 -0.2864 -0.2864 -0.0141 -0.0141 0.0038 0.0038 1.2431 1.2431 1.3329 1.3329 2.1303 2.1303 2.1851 2.1851 3.1853 3.1853 3.6838 3.6838 4.5231 4.5231 4.8468 4.8468 6.2002 6.2002 6.2997 6.2997 6.8798 6.8798 6.8859 6.8859 7.0097 7.0097 7.0533 7.0533 7.7063 7.7063 8.2256 8.2256 8.3813 8.3813 8.4260 8.4260 10.8319 10.8319 11.2685 11.2685 13.1512 13.1512 k = 0.5000 0.2887 0.1200 ( 2662 PWs) bands (ev): -11.3476 -11.3476 -11.3368 -11.3368 -9.6037 -9.6037 -9.5835 -9.5835 -0.3969 -0.3969 -0.3146 -0.3146 0.0387 0.0387 0.0471 0.0471 1.2127 1.2127 1.3197 1.3197 2.1243 2.1243 2.1920 2.1920 3.1382 3.1382 3.7527 3.7527 4.4895 4.4895 4.8908 4.8908 6.1839 6.1839 6.3083 6.3083 6.8784 6.8784 6.8862 6.8862 7.0038 7.0038 7.0575 7.0575 7.6278 7.6278 8.2044 8.2044 8.4449 8.4449 8.4679 8.4679 10.7775 10.7775 11.3142 11.3142 13.0589 13.0589 k = 0.5000 0.2887 0.1100 ( 2666 PWs) bands (ev): -11.3486 -11.3486 -11.3358 -11.3358 -9.6055 -9.6055 -9.5817 -9.5817 -0.4277 -0.4277 -0.3407 -0.3407 0.0896 0.0896 0.0951 0.0951 1.1792 1.1792 1.3006 1.3006 2.1186 2.1186 2.1986 2.1986 3.0957 3.0957 3.8207 3.8207 4.4580 4.4580 4.9344 4.9344 6.1670 6.1670 6.3159 6.3159 6.8769 6.8769 6.8864 6.8864 6.9980 6.9980 7.0613 7.0613 7.5523 7.5523 8.1837 8.1837 8.4706 8.4706 8.5455 8.5455 10.7252 10.7252 11.3561 11.3561 12.9690 12.9690 k = 0.5000 0.2887 0.1000 ( 2666 PWs) bands (ev): -11.3495 -11.3495 -11.3349 -11.3349 -9.6072 -9.6072 -9.5799 -9.5799 -0.4559 -0.4559 -0.3648 -0.3648 0.1354 0.1354 0.1509 0.1509 1.1431 1.1431 1.2754 1.2754 2.1134 2.1134 2.2050 2.2050 3.0580 3.0580 3.8871 3.8871 4.4288 4.4288 4.9776 4.9776 6.1495 6.1495 6.3227 6.3227 6.8753 6.8753 6.8864 6.8864 6.9924 6.9924 7.0648 7.0648 7.4801 7.4801 8.1641 8.1641 8.4930 8.4930 8.6225 8.6225 10.6756 10.6756 11.3941 11.3941 12.8823 12.8823 k = 0.5000 0.2887 0.0900 ( 2658 PWs) bands (ev): -11.3504 -11.3504 -11.3340 -11.3340 -9.6088 -9.6088 -9.5783 -9.5783 -0.4815 -0.4815 -0.3867 -0.3867 0.1813 0.1813 0.2088 0.2088 1.1048 1.1048 1.2445 1.2445 2.1085 2.1085 2.2110 2.2110 3.0251 3.0251 3.9511 3.9511 4.4019 4.4019 5.0196 5.0196 6.1319 6.1319 6.3289 6.3289 6.8736 6.8736 6.8865 6.8865 6.9871 6.9871 7.0679 7.0679 7.4119 7.4119 8.1459 8.1459 8.5140 8.5140 8.6964 8.6964 10.6291 10.6291 11.4280 11.4280 12.7995 12.7995 k = 0.5000 0.2887 0.0800 ( 2662 PWs) bands (ev): -11.3512 -11.3512 -11.3332 -11.3332 -9.6103 -9.6103 -9.5769 -9.5769 -0.5045 -0.5045 -0.4064 -0.4064 0.2278 0.2278 0.2682 0.2682 1.0646 1.0646 1.2082 1.2082 2.1041 2.1041 2.2166 2.2166 2.9968 2.9968 4.0118 4.0118 4.3775 4.3775 5.0599 5.0599 6.1141 6.1141 6.3342 6.3342 6.8717 6.8717 6.8863 6.8863 6.9821 6.9821 7.0704 7.0704 7.3484 7.3484 8.1291 8.1291 8.5334 8.5334 8.7660 8.7660 10.5862 10.5862 11.4577 11.4577 12.7216 12.7216 k = 0.5000 0.2887 0.0700 ( 2662 PWs) bands (ev): -11.3519 -11.3519 -11.3325 -11.3325 -9.6116 -9.6116 -9.5755 -9.5755 -0.5249 -0.5249 -0.4239 -0.4239 0.2746 0.2746 0.3286 0.3286 1.0230 1.0230 1.1668 1.1668 2.1001 2.1001 2.2218 2.2218 2.9728 2.9728 4.0684 4.0684 4.3556 4.3556 5.0980 5.0980 6.0967 6.0967 6.3387 6.3387 6.8699 6.8699 6.8860 6.8860 6.9776 6.9776 7.0724 7.0724 7.2904 7.2904 8.1140 8.1140 8.5511 8.5511 8.8304 8.8304 10.5473 10.5473 11.4832 11.4832 12.6494 12.6494 k = 0.5000 0.2887 0.0600 ( 2662 PWs) bands (ev): -11.3525 -11.3525 -11.3318 -11.3318 -9.6128 -9.6128 -9.5744 -9.5744 -0.5426 -0.5426 -0.4392 -0.4392 0.3213 0.3213 0.3901 0.3901 0.9806 0.9806 1.1211 1.1211 2.0966 2.0966 2.2264 2.2264 2.9529 2.9529 4.1199 4.1199 4.3365 4.3365 5.1331 5.1331 6.0801 6.0801 6.3426 6.3426 6.8681 6.8681 6.8856 6.8856 6.9736 6.9736 7.0737 7.0737 7.2386 7.2386 8.1006 8.1006 8.5669 8.5669 8.8889 8.8889 10.5129 10.5129 11.5047 11.5047 12.5842 12.5842 k = 0.5000 0.2887 0.0500 ( 2672 PWs) bands (ev): -11.3530 -11.3530 -11.3313 -11.3313 -9.6138 -9.6138 -9.5734 -9.5734 -0.5576 -0.5576 -0.4521 -0.4521 0.3673 0.3673 0.4522 0.4522 0.9379 0.9379 1.0715 1.0715 2.0936 2.0936 2.2303 2.2303 2.9368 2.9368 4.1655 4.1655 4.3201 4.3201 5.1646 5.1646 6.0647 6.0647 6.3456 6.3456 6.8663 6.8663 6.8850 6.8850 6.9700 6.9700 7.0740 7.0740 7.1941 7.1941 8.0891 8.0891 8.5805 8.5805 8.9404 8.9404 10.4832 10.4832 11.5223 11.5223 12.5268 12.5268 k = 0.5000 0.2887 0.0400 ( 2672 PWs) bands (ev): -11.3535 -11.3535 -11.3308 -11.3308 -9.6147 -9.6147 -9.5725 -9.5725 -0.5699 -0.5699 -0.4628 -0.4628 0.4120 0.4120 0.5146 0.5146 0.8959 0.8959 1.0189 1.0189 2.0912 2.0912 2.2337 2.2337 2.9241 2.9241 4.2043 4.2043 4.3067 4.3067 5.1917 5.1917 6.0512 6.0512 6.3480 6.3480 6.8648 6.8648 6.8842 6.8842 6.9670 6.9670 7.0728 7.0728 7.1581 7.1581 8.0796 8.0796 8.5920 8.5920 8.9842 8.9842 10.4585 10.4585 11.5363 11.5363 12.4782 12.4782 k = 0.5000 0.2887 0.0300 ( 2664 PWs) bands (ev): -11.3538 -11.3538 -11.3304 -11.3304 -9.6153 -9.6153 -9.5719 -9.5719 -0.5795 -0.5795 -0.4711 -0.4711 0.4538 0.4538 0.5767 0.5767 0.8561 0.8561 0.9640 0.9640 2.0892 2.0892 2.2363 2.2363 2.9146 2.9146 4.2356 4.2356 4.2962 4.2962 5.2138 5.2138 6.0400 6.0400 6.3499 6.3499 6.8635 6.8635 6.8835 6.8835 6.9646 6.9646 7.0695 7.0695 7.1320 7.1320 8.0722 8.0722 8.6011 8.6011 9.0194 9.0194 10.4391 10.4391 11.5469 11.5469 12.4393 12.4393 k = 0.5000 0.2887 0.0200 ( 2652 PWs) bands (ev): -11.3540 -11.3540 -11.3301 -11.3301 -9.6158 -9.6158 -9.5714 -9.5714 -0.5864 -0.5864 -0.4770 -0.4770 0.4902 0.4902 0.6373 0.6373 0.8212 0.8212 0.9084 0.9084 2.0880 2.0880 2.2383 2.2383 2.9081 2.9081 4.2585 4.2585 4.2887 4.2887 5.2301 5.2301 6.0316 6.0316 6.3512 6.3512 6.8627 6.8627 6.8829 6.8829 6.9628 6.9628 7.0640 7.0640 7.1164 7.1164 8.0669 8.0669 8.6078 8.6078 9.0452 9.0452 10.4252 10.4252 11.5543 11.5543 12.4110 12.4110 k = 0.5000 0.2887 0.0100 ( 2644 PWs) bands (ev): -11.3542 -11.3542 -11.3300 -11.3300 -9.6161 -9.6161 -9.5711 -9.5711 -0.5904 -0.5904 -0.4805 -0.4805 0.5167 0.5167 0.6925 0.6925 0.7957 0.7957 0.8560 0.8560 2.0871 2.0871 2.2395 2.2395 2.9043 2.9043 4.2725 4.2725 4.2841 4.2841 5.2402 5.2402 6.0265 6.0265 6.3521 6.3521 6.8621 6.8621 6.8823 6.8823 6.9617 6.9617 7.0586 7.0586 7.1090 7.1090 8.0637 8.0637 8.6118 8.6118 9.0608 9.0608 10.4167 10.4167 11.5586 11.5586 12.3937 12.3937 k = 0.5000 0.2887-0.0000 ( 2644 PWs) bands (ev): -11.3542 -11.3542 -11.3299 -11.3299 -9.6162 -9.6162 -9.5710 -9.5710 -0.5918 -0.5918 -0.4817 -0.4817 0.5267 0.5267 0.7222 0.7222 0.7862 0.7862 0.8271 0.8271 2.0869 2.0869 2.2398 2.2398 2.9030 2.9030 4.2773 4.2773 4.2826 4.2826 5.2435 5.2435 6.0247 6.0247 6.3523 6.3523 6.8619 6.8619 6.8821 6.8821 6.9613 6.9613 7.0564 7.0564 7.1070 7.1070 8.0626 8.0626 8.6131 8.6131 9.0661 9.0661 10.4139 10.4139 11.5601 11.5601 12.3878 12.3878 k = 0.3333 0.5774-0.0000 ( 2646 PWs) bands (ev): -11.2641 -11.2641 -11.2632 -11.2632 -9.5409 -9.5409 -9.5394 -9.5394 -0.1168 -0.1168 -0.1074 -0.1074 0.4710 0.4710 1.0199 1.0199 1.0217 1.0217 1.0268 1.0268 1.0343 1.0343 1.1581 1.1581 3.1952 3.1952 3.6142 3.6142 3.6342 3.6342 4.9171 4.9171 6.6005 6.6005 6.6504 6.6504 6.6629 6.6629 6.7761 6.7761 6.9563 6.9563 7.1091 7.1091 7.4537 7.4537 7.5276 7.5276 8.6309 8.6309 8.6637 8.6637 10.2670 10.2670 12.3897 12.3897 12.4110 12.4110 k = 0.3333 0.5774 0.0100 ( 2646 PWs) bands (ev): -11.2641 -11.2641 -11.2632 -11.2632 -9.5409 -9.5409 -9.5394 -9.5394 -0.1161 -0.1161 -0.1066 -0.1066 0.4721 0.4721 0.9834 0.9834 0.9860 0.9860 1.0646 1.0646 1.0678 1.0678 1.1559 1.1559 3.1992 3.1992 3.6139 3.6139 3.6338 3.6338 4.9131 4.9131 6.6004 6.6004 6.6506 6.6506 6.6631 6.6631 6.7761 6.7761 6.9559 6.9559 7.1088 7.1088 7.4543 7.4543 7.5283 7.5283 8.6300 8.6300 8.6629 8.6629 10.2724 10.2724 12.3910 12.3910 12.4123 12.4123 k = 0.3333 0.5774 0.0200 ( 2646 PWs) bands (ev): -11.2641 -11.2641 -11.2632 -11.2632 -9.5409 -9.5409 -9.5394 -9.5394 -0.1138 -0.1138 -0.1044 -0.1044 0.4752 0.4752 0.9425 0.9425 0.9457 0.9457 1.1041 1.1041 1.1069 1.1069 1.1491 1.1491 3.2112 3.2112 3.6128 3.6128 3.6328 3.6328 4.9010 4.9010 6.6003 6.6003 6.6510 6.6510 6.6635 6.6635 6.7761 6.7761 6.9548 6.9548 7.1078 7.1078 7.4561 7.4561 7.5304 7.5304 8.6273 8.6273 8.6603 8.6603 10.2885 10.2885 12.3948 12.3948 12.4160 12.4160 k = 0.3333 0.5774 0.0300 ( 2649 PWs) bands (ev): -11.2641 -11.2641 -11.2631 -11.2631 -9.5409 -9.5409 -9.5394 -9.5394 -0.1100 -0.1100 -0.1006 -0.1006 0.4803 0.4803 0.9017 0.9017 0.9053 0.9053 1.1355 1.1355 1.1452 1.1452 1.1453 1.1453 3.2310 3.2310 3.6110 3.6110 3.6310 3.6310 4.8811 4.8811 6.6000 6.6000 6.6516 6.6516 6.6643 6.6643 6.7759 6.7759 6.9531 6.9531 7.1061 7.1061 7.4590 7.4590 7.5337 7.5337 8.6227 8.6227 8.6561 8.6561 10.3152 10.3152 12.4010 12.4010 12.4221 12.4221 k = 0.3333 0.5774 0.0400 ( 2643 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5409 -9.5409 -9.5394 -9.5394 -0.1048 -0.1048 -0.0954 -0.0954 0.4875 0.4875 0.8612 0.8612 0.8652 0.8652 1.1219 1.1219 1.1812 1.1812 1.1826 1.1826 3.2582 3.2582 3.6086 3.6086 3.6286 3.6286 4.8537 4.8537 6.5999 6.5999 6.6526 6.6526 6.6653 6.6653 6.7760 6.7760 6.9506 6.9506 7.1038 7.1038 7.4630 7.4630 7.5383 7.5383 8.6167 8.6167 8.6504 8.6504 10.3521 10.3521 12.4093 12.4093 12.4303 12.4303 k = 0.3333 0.5774 0.0500 ( 2637 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5409 -9.5409 -9.5394 -9.5394 -0.0982 -0.0982 -0.0889 -0.0889 0.4967 0.4967 0.8213 0.8213 0.8256 0.8256 1.1029 1.1029 1.2174 1.2174 1.2185 1.2185 3.2924 3.2924 3.6057 3.6057 3.6258 3.6258 4.8191 4.8191 6.5996 6.5996 6.6538 6.6538 6.6664 6.6664 6.7759 6.7759 6.9476 6.9476 7.1011 7.1011 7.4679 7.4679 7.5438 7.5438 8.6092 8.6092 8.6435 8.6435 10.3988 10.3988 12.4196 12.4196 12.4404 12.4404 k = 0.3333 0.5774 0.0600 ( 2643 PWs) bands (ev): -11.2641 -11.2641 -11.2631 -11.2631 -9.5409 -9.5409 -9.5394 -9.5394 -0.0904 -0.0904 -0.0812 -0.0812 0.5078 0.5078 0.7823 0.7823 0.7869 0.7869 1.0806 1.0806 1.2520 1.2520 1.2529 1.2529 3.3331 3.3331 3.6023 3.6023 3.6224 3.6224 4.7778 4.7778 6.5992 6.5992 6.6552 6.6552 6.6677 6.6677 6.7758 6.7758 6.9442 6.9442 7.0980 7.0980 7.4735 7.4735 7.5502 7.5502 8.6005 8.6005 8.6354 8.6354 10.4548 10.4548 12.4313 12.4313 12.4520 12.4520 k = 0.3333 0.5774 0.0700 ( 2640 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0815 -0.0815 -0.0724 -0.0724 0.5210 0.5210 0.7444 0.7444 0.7493 0.7493 1.0556 1.0556 1.2847 1.2847 1.2853 1.2853 3.3798 3.3798 3.5986 3.5986 3.6187 3.6187 4.7304 4.7304 6.5988 6.5988 6.6567 6.6567 6.6691 6.6691 6.7756 6.7756 6.9405 6.9405 7.0947 7.0947 7.4797 7.4797 7.5572 7.5572 8.5909 8.5909 8.6264 8.6264 10.5194 10.5194 12.4439 12.4439 12.4648 12.4648 k = 0.3333 0.5774 0.0800 ( 2634 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0717 -0.0717 -0.0626 -0.0626 0.5361 0.5361 0.7080 0.7080 0.7132 0.7132 1.0283 1.0283 1.3153 1.3153 1.3156 1.3156 3.4318 3.4318 3.5947 3.5947 3.6148 3.6148 4.6775 4.6775 6.5985 6.5985 6.6584 6.6584 6.6706 6.6706 6.7755 6.7755 6.9367 6.9367 7.0913 7.0913 7.4862 7.4862 7.5647 7.5647 8.5808 8.5808 8.6170 8.6170 10.5920 10.5920 12.4134 12.4134 12.4591 12.4591 k = 0.3333 0.5774 0.0900 ( 2643 PWs) bands (ev): -11.2641 -11.2641 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0612 -0.0612 -0.0523 -0.0523 0.5531 0.5531 0.6733 0.6733 0.6788 0.6788 0.9992 0.9992 1.3434 1.3434 1.3435 1.3435 3.4885 3.4885 3.5906 3.5906 3.6107 3.6107 4.6196 4.6196 6.5980 6.5980 6.6601 6.6601 6.6718 6.6718 6.7753 6.7753 6.9327 6.9327 7.0878 7.0878 7.4929 7.4929 7.5723 7.5723 8.5704 8.5704 8.6074 8.6074 10.6719 10.6719 12.3276 12.3276 12.4726 12.4726 k = 0.3333 0.5774 0.1000 ( 2643 PWs) bands (ev): -11.2641 -11.2641 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0503 -0.0503 -0.0414 -0.0414 0.5719 0.5719 0.6409 0.6409 0.6467 0.6467 0.9688 0.9688 1.3687 1.3687 1.3689 1.3689 3.5495 3.5495 3.5866 3.5866 3.6067 3.6067 4.5574 4.5574 6.5976 6.5976 6.6618 6.6618 6.6732 6.6732 6.7751 6.7751 6.9288 6.9288 7.0845 7.0845 7.4995 7.4995 7.5798 7.5798 8.5602 8.5602 8.5980 8.5980 10.7584 10.7584 12.2351 12.2351 12.4863 12.4863 k = 0.3333 0.5774 0.1100 ( 2634 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0394 -0.0394 -0.0306 -0.0306 0.5924 0.5924 0.6111 0.6111 0.6171 0.6171 0.9374 0.9374 1.3912 1.3912 1.3916 1.3916 3.5825 3.5825 3.6029 3.6029 3.6143 3.6143 4.4915 4.4915 6.5974 6.5974 6.6636 6.6636 6.6746 6.6746 6.7751 6.7751 6.9252 6.9252 7.0814 7.0814 7.5058 7.5058 7.5870 7.5870 8.5505 8.5505 8.5891 8.5891 10.8507 10.8507 12.1372 12.1372 12.4995 12.4995 k = 0.3333 0.5774 0.1200 ( 2634 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0288 -0.0288 -0.0201 -0.0201 0.5845 0.5845 0.5907 0.5907 0.6147 0.6147 0.9055 0.9055 1.4106 1.4106 1.4112 1.4112 3.5790 3.5790 3.5994 3.5994 3.6821 3.6821 4.4224 4.4224 6.5971 6.5971 6.6651 6.6651 6.6758 6.6758 6.7750 6.7750 6.9218 6.9218 7.0786 7.0786 7.5116 7.5116 7.5936 7.5936 8.5415 8.5415 8.5808 8.5808 10.9481 10.9481 12.0346 12.0346 12.5114 12.5114 k = 0.3333 0.5774 0.1300 ( 2628 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0189 -0.0189 -0.0103 -0.0103 0.5615 0.5615 0.5679 0.5679 0.6386 0.6386 0.8734 0.8734 1.4267 1.4267 1.4275 1.4275 3.5761 3.5761 3.5964 3.5964 3.7525 3.7525 4.3509 4.3509 6.5969 6.5969 6.6665 6.6665 6.6769 6.6769 6.7749 6.7749 6.9190 6.9190 7.0762 7.0762 7.5166 7.5166 7.5994 7.5994 8.5337 8.5337 8.5736 8.5736 11.0498 11.0498 11.9285 11.9285 12.5219 12.5219 k = 0.3333 0.5774 0.1400 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0105 -0.0105 -0.0020 -0.0020 0.5428 0.5428 0.5493 0.5493 0.6640 0.6640 0.8414 0.8414 1.4396 1.4396 1.4405 1.4405 3.5736 3.5736 3.5940 3.5940 3.8251 3.8251 4.2774 4.2774 6.5968 6.5968 6.6677 6.6677 6.6781 6.6781 6.7749 6.7749 6.9166 6.9166 7.0743 7.0743 7.5207 7.5207 7.6041 7.6041 8.5274 8.5274 8.5679 8.5679 11.1552 11.1552 11.8197 11.8197 12.5305 12.5305 k = 0.3333 0.5774 0.1500 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 -0.0040 -0.0040 0.0044 0.0044 0.5289 0.5289 0.5356 0.5356 0.6908 0.6908 0.8097 0.8097 1.4488 1.4488 1.4498 1.4498 3.5717 3.5717 3.5921 3.5921 3.8992 3.8992 4.2025 4.2025 6.5966 6.5966 6.6685 6.6685 6.6787 6.6787 6.7748 6.7748 6.9149 6.9149 7.0728 7.0728 7.5238 7.5238 7.6076 7.6076 8.5226 8.5226 8.5635 8.5635 11.2633 11.2633 11.7089 11.7089 12.5368 12.5368 k = 0.3333 0.5774 0.1600 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 0.0001 0.0001 0.0085 0.0085 0.5203 0.5203 0.5271 0.5271 0.7188 0.7188 0.7787 0.7787 1.4543 1.4543 1.4554 1.4554 3.5705 3.5705 3.5910 3.5910 3.9745 3.9745 4.1268 4.1268 6.5966 6.5966 6.6691 6.6691 6.6791 6.6791 6.7748 6.7748 6.9138 6.9138 7.0719 7.0719 7.5257 7.5257 7.6098 7.6098 8.5196 8.5196 8.5609 8.5609 11.3735 11.3735 11.5971 11.5971 12.5407 12.5407 k = 0.3333 0.5774 0.1700 ( 2610 PWs) bands (ev): -11.2640 -11.2640 -11.2631 -11.2631 -9.5410 -9.5410 -9.5394 -9.5394 0.0015 0.0015 0.0099 0.0099 0.5174 0.5174 0.5242 0.5242 0.7449 0.7449 0.7517 0.7517 1.4562 1.4562 1.4573 1.4573 3.5701 3.5701 3.5906 3.5906 4.0464 4.0464 4.0547 4.0547 6.5965 6.5965 6.6692 6.6692 6.6792 6.6792 6.7747 6.7747 6.9135 6.9135 7.0716 7.0716 7.5263 7.5263 7.6105 7.6105 8.5186 8.5186 8.5600 8.5600 11.4818 11.4818 11.4883 11.4883 12.5420 12.5420 Writing output data file NiCN2.save init_run : 0.34s CPU 0.55s WALL ( 1 calls) electrons : 175.78s CPU 180.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 175.78s CPU 180.02s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 378 calls) cegterg : 162.21s CPU 164.96s WALL ( 658 calls) Called by sum_band: Called by *egterg: h_psi : 73.89s CPU 75.89s WALL ( 10793 calls) s_psi : 5.39s CPU 5.47s WALL ( 10793 calls) g_psi : 0.21s CPU 0.20s WALL ( 9757 calls) cdiaghg : 78.36s CPU 79.36s WALL ( 10135 calls) cegterg:over : 5.88s CPU 5.90s WALL ( 9757 calls) cegterg:upda : 4.27s CPU 4.40s WALL ( 9757 calls) cegterg:last : 2.67s CPU 2.63s WALL ( 1414 calls) cdiaghg:chol : 4.16s CPU 4.25s WALL ( 10135 calls) cdiaghg:inve : 2.89s CPU 3.03s WALL ( 10135 calls) cdiaghg:para : 4.88s CPU 4.68s WALL ( 20270 calls) Called by h_psi: h_psi:vloc : 61.20s CPU 63.09s WALL ( 10793 calls) h_psi:vnl : 12.51s CPU 12.62s WALL ( 10793 calls) add_vuspsi : 6.29s CPU 6.41s WALL ( 10793 calls) General routines calbec : 6.17s CPU 6.19s WALL ( 10793 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.42s CPU 59.23s WALL ( 1043216 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.19s WALL ( 756 calls) Parallel routines fft_scatter : 22.33s CPU 23.00s WALL ( 1043239 calls) PWSCF : 3m11.84s CPU 3m46.50s WALL This run was terminated on: 16:56:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=