Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:34: 6 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: ./NaTeAu.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 60 38 10 4232 2124 314 Max 61 39 11 4243 2146 325 Sum 2173 1381 379 152469 76739 11499 bravais-lattice index = 14 lattice parameter (alat) = 8.6304 a.u. unit-cell volume = 1034.0431 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.630379 celldm(2)= 1.000000 celldm(3)= 1.857456 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.857456 ) 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 0.538371 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) Au 11.00 196.96660 Au( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9287278 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.9287278 ) 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= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0035211 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0035211 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0035211 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0035211 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035211 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0035211 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0035211 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0035211 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035211 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0035211 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0035211 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0035211 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035211 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0035211 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0035211 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0035211 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0035211 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035211 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0035211 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0035211 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0035211 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0035211 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0035211 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0035211 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0035211 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035211 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035211 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035211 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035211 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035211 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035211 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035211 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035211 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035211 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035211 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035211 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035211 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035211 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035211 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035211 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035211 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035211 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035211 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035211 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035211 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035211 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035211 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0035211 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0035211 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0035211 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0035211 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0035211 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0035211 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0035211 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0035211 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0035211 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0035211 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0035211 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0035211 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0035211 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0035211 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0035211 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0035211 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0035211 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0035211 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0035211 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0035211 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0035211 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0035211 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035211 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0035211 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0035211 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0035211 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0035211 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0035211 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0035211 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0035211 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0035211 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0035211 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0035211 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0035211 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0035211 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0035211 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0035211 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0035211 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0035211 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0035211 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0035211 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0035211 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0035211 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0035211 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0035211 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 114) = ( 0.0000000 0.0000000 0.0141677), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0283353), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0425030), wk = 0.0035211 k( 117) = ( 0.0000000 0.0000000 0.0566706), wk = 0.0035211 k( 118) = ( 0.0000000 0.0000000 0.0708383), wk = 0.0035211 k( 119) = ( 0.0000000 0.0000000 0.0850059), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.0991736), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.1133412), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.1275089), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.1416765), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.1558442), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.1700118), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.1841795), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.1983472), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.2125148), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.2266825), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.2408501), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.2550178), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.2691854), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.2691854), wk = 0.0035211 k( 134) = ( 0.0125000 0.0072169 0.2691854), wk = 0.0035211 k( 135) = ( 0.0250000 0.0144338 0.2691854), wk = 0.0035211 k( 136) = ( 0.0375000 0.0216506 0.2691854), wk = 0.0035211 k( 137) = ( 0.0500000 0.0288675 0.2691854), wk = 0.0035211 k( 138) = ( 0.0625000 0.0360844 0.2691854), wk = 0.0035211 k( 139) = ( 0.0750000 0.0433013 0.2691854), wk = 0.0035211 k( 140) = ( 0.0875000 0.0505181 0.2691854), wk = 0.0035211 k( 141) = ( 0.1000000 0.0577350 0.2691854), wk = 0.0035211 k( 142) = ( 0.1125000 0.0649519 0.2691854), wk = 0.0035211 k( 143) = ( 0.1250000 0.0721688 0.2691854), wk = 0.0035211 k( 144) = ( 0.1375000 0.0793857 0.2691854), wk = 0.0035211 k( 145) = ( 0.1500000 0.0866025 0.2691854), wk = 0.0035211 k( 146) = ( 0.1625000 0.0938194 0.2691854), wk = 0.0035211 k( 147) = ( 0.1750000 0.1010363 0.2691854), wk = 0.0035211 k( 148) = ( 0.1875000 0.1082532 0.2691854), wk = 0.0035211 k( 149) = ( 0.2000000 0.1154701 0.2691854), wk = 0.0035211 k( 150) = ( 0.2125000 0.1226869 0.2691854), wk = 0.0035211 k( 151) = ( 0.2250000 0.1299038 0.2691854), wk = 0.0035211 k( 152) = ( 0.2375000 0.1371207 0.2691854), wk = 0.0035211 k( 153) = ( 0.2500000 0.1443376 0.2691854), wk = 0.0035211 k( 154) = ( 0.2625000 0.1515544 0.2691854), wk = 0.0035211 k( 155) = ( 0.2750000 0.1587713 0.2691854), wk = 0.0035211 k( 156) = ( 0.2875000 0.1659882 0.2691854), wk = 0.0035211 k( 157) = ( 0.3000000 0.1732051 0.2691854), wk = 0.0035211 k( 158) = ( 0.3125000 0.1804220 0.2691854), wk = 0.0035211 k( 159) = ( 0.3250000 0.1876388 0.2691854), wk = 0.0035211 k( 160) = ( 0.3375000 0.1948557 0.2691854), wk = 0.0035211 k( 161) = ( 0.3500000 0.2020726 0.2691854), wk = 0.0035211 k( 162) = ( 0.3625000 0.2092895 0.2691854), wk = 0.0035211 k( 163) = ( 0.3750000 0.2165064 0.2691854), wk = 0.0035211 k( 164) = ( 0.3875000 0.2237232 0.2691854), wk = 0.0035211 k( 165) = ( 0.4000000 0.2309401 0.2691854), wk = 0.0035211 k( 166) = ( 0.4125000 0.2381570 0.2691854), wk = 0.0035211 k( 167) = ( 0.4250000 0.2453739 0.2691854), wk = 0.0035211 k( 168) = ( 0.4375000 0.2525907 0.2691854), wk = 0.0035211 k( 169) = ( 0.4500000 0.2598076 0.2691854), wk = 0.0035211 k( 170) = ( 0.4625000 0.2670245 0.2691854), wk = 0.0035211 k( 171) = ( 0.4750000 0.2742414 0.2691854), wk = 0.0035211 k( 172) = ( 0.4875000 0.2814583 0.2691854), wk = 0.0035211 k( 173) = ( 0.5000000 0.2886751 0.2691854), wk = 0.0035211 k( 174) = ( 0.5000000 0.2886751 0.2691854), wk = 0.0035211 k( 175) = ( 0.4927536 0.3012262 0.2691854), wk = 0.0035211 k( 176) = ( 0.4855073 0.3137773 0.2691854), wk = 0.0035211 k( 177) = ( 0.4782609 0.3263284 0.2691854), wk = 0.0035211 k( 178) = ( 0.4710145 0.3388795 0.2691854), wk = 0.0035211 k( 179) = ( 0.4637681 0.3514306 0.2691854), wk = 0.0035211 k( 180) = ( 0.4565217 0.3639817 0.2691854), wk = 0.0035211 k( 181) = ( 0.4492754 0.3765328 0.2691854), wk = 0.0035211 k( 182) = ( 0.4420290 0.3890839 0.2691854), wk = 0.0035211 k( 183) = ( 0.4347826 0.4016350 0.2691854), wk = 0.0035211 k( 184) = ( 0.4275362 0.4141861 0.2691854), wk = 0.0035211 k( 185) = ( 0.4202899 0.4267372 0.2691854), wk = 0.0035211 k( 186) = ( 0.4130435 0.4392882 0.2691854), wk = 0.0035211 k( 187) = ( 0.4057971 0.4518393 0.2691854), wk = 0.0035211 k( 188) = ( 0.3985507 0.4643904 0.2691854), wk = 0.0035211 k( 189) = ( 0.3913044 0.4769415 0.2691854), wk = 0.0035211 k( 190) = ( 0.3840580 0.4894926 0.2691854), wk = 0.0035211 k( 191) = ( 0.3768116 0.5020437 0.2691854), wk = 0.0035211 k( 192) = ( 0.3695652 0.5145948 0.2691854), wk = 0.0035211 k( 193) = ( 0.3623188 0.5271459 0.2691854), wk = 0.0035211 k( 194) = ( 0.3550725 0.5396970 0.2691854), wk = 0.0035211 k( 195) = ( 0.3478261 0.5522481 0.2691854), wk = 0.0035211 k( 196) = ( 0.3405797 0.5647992 0.2691854), wk = 0.0035211 k( 197) = ( 0.3333333 0.5773503 0.2691854), wk = 0.0035211 k( 198) = ( 0.3333333 0.5773503 0.2691854), wk = 0.0035211 k( 199) = ( 0.3260870 0.5647992 0.2691854), wk = 0.0035211 k( 200) = ( 0.3188406 0.5522481 0.2691854), wk = 0.0035211 k( 201) = ( 0.3115942 0.5396970 0.2691854), wk = 0.0035211 k( 202) = ( 0.3043478 0.5271459 0.2691854), wk = 0.0035211 k( 203) = ( 0.2971014 0.5145948 0.2691854), wk = 0.0035211 k( 204) = ( 0.2898551 0.5020437 0.2691854), wk = 0.0035211 k( 205) = ( 0.2826087 0.4894926 0.2691854), wk = 0.0035211 k( 206) = ( 0.2753623 0.4769415 0.2691854), wk = 0.0035211 k( 207) = ( 0.2681159 0.4643904 0.2691854), wk = 0.0035211 k( 208) = ( 0.2608696 0.4518393 0.2691854), wk = 0.0035211 k( 209) = ( 0.2536232 0.4392883 0.2691854), wk = 0.0035211 k( 210) = ( 0.2463768 0.4267372 0.2691854), wk = 0.0035211 k( 211) = ( 0.2391304 0.4141861 0.2691854), wk = 0.0035211 k( 212) = ( 0.2318841 0.4016350 0.2691854), wk = 0.0035211 k( 213) = ( 0.2246377 0.3890839 0.2691854), wk = 0.0035211 k( 214) = ( 0.2173913 0.3765328 0.2691854), wk = 0.0035211 k( 215) = ( 0.2101449 0.3639817 0.2691854), wk = 0.0035211 k( 216) = ( 0.2028986 0.3514306 0.2691854), wk = 0.0035211 k( 217) = ( 0.1956522 0.3388795 0.2691854), wk = 0.0035211 k( 218) = ( 0.1884058 0.3263284 0.2691854), wk = 0.0035211 k( 219) = ( 0.1811594 0.3137773 0.2691854), wk = 0.0035211 k( 220) = ( 0.1739130 0.3012262 0.2691854), wk = 0.0035211 k( 221) = ( 0.1666667 0.2886751 0.2691854), wk = 0.0035211 k( 222) = ( 0.1594203 0.2761240 0.2691854), wk = 0.0035211 k( 223) = ( 0.1521739 0.2635729 0.2691854), wk = 0.0035211 k( 224) = ( 0.1449275 0.2510219 0.2691854), wk = 0.0035211 k( 225) = ( 0.1376812 0.2384708 0.2691854), wk = 0.0035211 k( 226) = ( 0.1304348 0.2259197 0.2691854), wk = 0.0035211 k( 227) = ( 0.1231884 0.2133686 0.2691854), wk = 0.0035211 k( 228) = ( 0.1159420 0.2008175 0.2691854), wk = 0.0035211 k( 229) = ( 0.1086957 0.1882664 0.2691854), wk = 0.0035211 k( 230) = ( 0.1014493 0.1757153 0.2691854), wk = 0.0035211 k( 231) = ( 0.0942029 0.1631642 0.2691854), wk = 0.0035211 k( 232) = ( 0.0869565 0.1506131 0.2691854), wk = 0.0035211 k( 233) = ( 0.0797101 0.1380620 0.2691854), wk = 0.0035211 k( 234) = ( 0.0724638 0.1255109 0.2691854), wk = 0.0035211 k( 235) = ( 0.0652174 0.1129598 0.2691854), wk = 0.0035211 k( 236) = ( 0.0579710 0.1004087 0.2691854), wk = 0.0035211 k( 237) = ( 0.0507246 0.0878577 0.2691854), wk = 0.0035211 k( 238) = ( 0.0434783 0.0753066 0.2691854), wk = 0.0035211 k( 239) = ( 0.0362319 0.0627555 0.2691854), wk = 0.0035211 k( 240) = ( 0.0289855 0.0502044 0.2691854), wk = 0.0035211 k( 241) = ( 0.0217391 0.0376533 0.2691854), wk = 0.0035211 k( 242) = ( 0.0144928 0.0251022 0.2691854), wk = 0.0035211 k( 243) = ( 0.0072464 0.0125511 0.2691854), wk = 0.0035211 k( 244) = ( 0.0000000 0.0000000 0.2691854), wk = 0.0035211 k( 245) = ( 0.5000000 0.2886751 0.2691854), wk = 0.0035211 k( 246) = ( 0.5000000 0.2886751 0.2550178), wk = 0.0035211 k( 247) = ( 0.5000000 0.2886751 0.2408501), wk = 0.0035211 k( 248) = ( 0.5000000 0.2886751 0.2266825), wk = 0.0035211 k( 249) = ( 0.5000000 0.2886751 0.2125148), wk = 0.0035211 k( 250) = ( 0.5000000 0.2886751 0.1983472), wk = 0.0035211 k( 251) = ( 0.5000000 0.2886751 0.1841795), wk = 0.0035211 k( 252) = ( 0.5000000 0.2886751 0.1700118), wk = 0.0035211 k( 253) = ( 0.5000000 0.2886751 0.1558442), wk = 0.0035211 k( 254) = ( 0.5000000 0.2886751 0.1416765), wk = 0.0035211 k( 255) = ( 0.5000000 0.2886751 0.1275089), wk = 0.0035211 k( 256) = ( 0.5000000 0.2886751 0.1133412), wk = 0.0035211 k( 257) = ( 0.5000000 0.2886751 0.0991736), wk = 0.0035211 k( 258) = ( 0.5000000 0.2886751 0.0850059), wk = 0.0035211 k( 259) = ( 0.5000000 0.2886751 0.0708383), wk = 0.0035211 k( 260) = ( 0.5000000 0.2886751 0.0566706), wk = 0.0035211 k( 261) = ( 0.5000000 0.2886751 0.0425030), wk = 0.0035211 k( 262) = ( 0.5000000 0.2886751 0.0283353), wk = 0.0035211 k( 263) = ( 0.5000000 0.2886751 0.0141677), wk = 0.0035211 k( 264) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 265) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 266) = ( 0.3333333 0.5773503 0.0141677), wk = 0.0035211 k( 267) = ( 0.3333333 0.5773503 0.0283353), wk = 0.0035211 k( 268) = ( 0.3333333 0.5773503 0.0425030), wk = 0.0035211 k( 269) = ( 0.3333333 0.5773503 0.0566706), wk = 0.0035211 k( 270) = ( 0.3333333 0.5773503 0.0708383), wk = 0.0035211 k( 271) = ( 0.3333333 0.5773503 0.0850059), wk = 0.0035211 k( 272) = ( 0.3333333 0.5773503 0.0991736), wk = 0.0035211 k( 273) = ( 0.3333333 0.5773503 0.1133412), wk = 0.0035211 k( 274) = ( 0.3333333 0.5773503 0.1275089), wk = 0.0035211 k( 275) = ( 0.3333333 0.5773503 0.1416765), wk = 0.0035211 k( 276) = ( 0.3333333 0.5773503 0.1558442), wk = 0.0035211 k( 277) = ( 0.3333333 0.5773503 0.1700118), wk = 0.0035211 k( 278) = ( 0.3333333 0.5773503 0.1841795), wk = 0.0035211 k( 279) = ( 0.3333333 0.5773503 0.1983472), wk = 0.0035211 k( 280) = ( 0.3333333 0.5773503 0.2125148), wk = 0.0035211 k( 281) = ( 0.3333333 0.5773503 0.2266825), wk = 0.0035211 k( 282) = ( 0.3333333 0.5773503 0.2408501), wk = 0.0035211 k( 283) = ( 0.3333333 0.5773503 0.2550178), wk = 0.0035211 k( 284) = ( 0.3333333 0.5773503 0.2691854), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0035211 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0035211 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0035211 k( 11) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0035211 k( 12) = ( 0.1375000 -0.0000000 0.0000000), wk = 0.0035211 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0035211 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0035211 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0035211 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0035211 k( 19) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0035211 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0035211 k( 21) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0035211 k( 22) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0035211 k( 23) = ( 0.2750000 -0.0000000 0.0000000), wk = 0.0035211 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0035211 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0035211 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0035211 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0035211 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0035211 k( 31) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0035211 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0035211 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0035211 k( 34) = ( 0.4125000 -0.0000000 0.0000000), wk = 0.0035211 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0035211 k( 36) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0035211 k( 37) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0035211 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0035211 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0035211 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0035211 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035211 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035211 k( 43) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0035211 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0035211 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0035211 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0035211 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0035211 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0035211 k( 49) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0035211 k( 50) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0035211 k( 51) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0035211 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035211 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0035211 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035211 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0035211 k( 56) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0035211 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035211 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0035211 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0035211 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0035211 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0035211 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0035211 k( 63) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0035211 k( 64) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0035211 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035211 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035211 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0035211 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0035211 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0035211 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0035211 k( 71) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0035211 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0035211 k( 73) = ( 0.2826087 0.2826087 -0.0000000), wk = 0.0035211 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0035211 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0035211 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0035211 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0035211 k( 78) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0035211 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0035211 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0035211 k( 81) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0035211 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0035211 k( 83) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0035211 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0035211 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0035211 k( 86) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0035211 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0035211 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0035211 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035211 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0035211 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0035211 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0035211 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0035211 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0035211 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0035211 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0035211 k( 97) = ( 0.1086957 0.1086956 0.0000000), wk = 0.0035211 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0035211 k( 99) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0035211 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0035211 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0035211 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0035211 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0035211 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0035211 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0035211 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0035211 k( 107) = ( 0.0362319 0.0362319 -0.0000000), wk = 0.0035211 k( 108) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0035211 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0035211 k( 110) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0035211 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0035211 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 114) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0035211 k( 117) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0035211 k( 118) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0035211 k( 119) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 134) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0035211 k( 135) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0035211 k( 136) = ( 0.0375000 -0.0000000 0.5000000), wk = 0.0035211 k( 137) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0035211 k( 138) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0035211 k( 139) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0035211 k( 140) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0035211 k( 141) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0035211 k( 142) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0035211 k( 143) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0035211 k( 144) = ( 0.1375000 -0.0000000 0.5000000), wk = 0.0035211 k( 145) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0035211 k( 146) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0035211 k( 147) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0035211 k( 148) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0035211 k( 149) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0035211 k( 150) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0035211 k( 151) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0035211 k( 152) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0035211 k( 153) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0035211 k( 154) = ( 0.2625000 -0.0000000 0.5000000), wk = 0.0035211 k( 155) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0035211 k( 156) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0035211 k( 157) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0035211 k( 158) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0035211 k( 159) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0035211 k( 160) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0035211 k( 161) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0035211 k( 162) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0035211 k( 163) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0035211 k( 164) = ( 0.3875000 -0.0000000 0.5000000), wk = 0.0035211 k( 165) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0035211 k( 166) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0035211 k( 167) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0035211 k( 168) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0035211 k( 169) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0035211 k( 170) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0035211 k( 171) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0035211 k( 172) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0035211 k( 173) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 k( 174) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 k( 175) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0035211 k( 176) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035211 k( 177) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035211 k( 178) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035211 k( 179) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035211 k( 180) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035211 k( 181) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035211 k( 182) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035211 k( 183) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035211 k( 184) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035211 k( 185) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035211 k( 186) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035211 k( 187) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035211 k( 188) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0035211 k( 189) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035211 k( 190) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035211 k( 191) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035211 k( 192) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035211 k( 193) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035211 k( 194) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035211 k( 195) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035211 k( 196) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035211 k( 197) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 k( 198) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 k( 199) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0035211 k( 200) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0035211 k( 201) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0035211 k( 202) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0035211 k( 203) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0035211 k( 204) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0035211 k( 205) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0035211 k( 206) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0035211 k( 207) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0035211 k( 208) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0035211 k( 209) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0035211 k( 210) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0035211 k( 211) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0035211 k( 212) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0035211 k( 213) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0035211 k( 214) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0035211 k( 215) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0035211 k( 216) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0035211 k( 217) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0035211 k( 218) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0035211 k( 219) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0035211 k( 220) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0035211 k( 221) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035211 k( 222) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0035211 k( 223) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0035211 k( 224) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0035211 k( 225) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0035211 k( 226) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0035211 k( 227) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0035211 k( 228) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0035211 k( 229) = ( 0.1086957 0.1086956 0.5000000), wk = 0.0035211 k( 230) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0035211 k( 231) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0035211 k( 232) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0035211 k( 233) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0035211 k( 234) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0035211 k( 235) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0035211 k( 236) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0035211 k( 237) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0035211 k( 238) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0035211 k( 239) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0035211 k( 240) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0035211 k( 241) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0035211 k( 242) = ( 0.0144928 0.0144927 0.5000000), wk = 0.0035211 k( 243) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0035211 k( 244) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 245) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035211 k( 246) = ( 0.5000000 -0.0000000 0.4736842), wk = 0.0035211 k( 247) = ( 0.5000000 -0.0000000 0.4473684), wk = 0.0035211 k( 248) = ( 0.5000000 -0.0000000 0.4210526), wk = 0.0035211 k( 249) = ( 0.5000000 -0.0000000 0.3947368), wk = 0.0035211 k( 250) = ( 0.5000000 -0.0000000 0.3684211), wk = 0.0035211 k( 251) = ( 0.5000000 -0.0000000 0.3421053), wk = 0.0035211 k( 252) = ( 0.5000000 -0.0000000 0.3157895), wk = 0.0035211 k( 253) = ( 0.5000000 -0.0000000 0.2894737), wk = 0.0035211 k( 254) = ( 0.5000000 -0.0000000 0.2631579), wk = 0.0035211 k( 255) = ( 0.5000000 -0.0000000 0.2368421), wk = 0.0035211 k( 256) = ( 0.5000000 -0.0000000 0.2105263), wk = 0.0035211 k( 257) = ( 0.5000000 -0.0000000 0.1842105), wk = 0.0035211 k( 258) = ( 0.5000000 -0.0000000 0.1578947), wk = 0.0035211 k( 259) = ( 0.5000000 -0.0000000 0.1315790), wk = 0.0035211 k( 260) = ( 0.5000000 -0.0000000 0.1052632), wk = 0.0035211 k( 261) = ( 0.5000000 -0.0000000 0.0789474), wk = 0.0035211 k( 262) = ( 0.5000000 -0.0000000 0.0526316), wk = 0.0035211 k( 263) = ( 0.5000000 -0.0000000 0.0263158), wk = 0.0035211 k( 264) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0035211 k( 265) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035211 k( 266) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0035211 k( 267) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0035211 k( 268) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0035211 k( 269) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0035211 k( 270) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0035211 k( 271) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0035211 k( 272) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0035211 k( 273) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0035211 k( 274) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0035211 k( 275) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0035211 k( 276) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0035211 k( 277) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0035211 k( 278) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0035211 k( 279) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0035211 k( 280) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0035211 k( 281) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0035211 k( 282) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0035211 k( 283) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0035211 k( 284) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 Dense grid: 152469 G-vectors FFT dimensions: ( 60, 60, 108) Smooth grid: 76739 G-vectors FFT dimensions: ( 45, 45, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 528, 62) NL pseudopotentials 0.66 Mb ( 264, 164) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4234) G-vector shells 0.02 Mb ( 1976) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.00 Mb ( 528, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) The potential is recalculated from file : ./NaTeAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 13.7 secs Computing kpt #: 7 total cpu time spent up to now is 15.0 secs Computing kpt #: 8 total cpu time spent up to now is 16.4 secs Computing kpt #: 9 total cpu time spent up to now is 17.7 secs Computing kpt #: 10 total cpu time spent up to now is 19.0 secs Computing kpt #: 11 total cpu time spent up to now is 20.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.6 secs Computing kpt #: 13 total cpu time spent up to now is 22.8 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.3 secs Computing kpt #: 16 total cpu time spent up to now is 26.5 secs Computing kpt #: 17 total cpu time spent up to now is 27.7 secs Computing kpt #: 18 total cpu time spent up to now is 28.9 secs Computing kpt #: 19 total cpu time spent up to now is 30.1 secs Computing kpt #: 20 total cpu time spent up to now is 31.3 secs Computing kpt #: 21 total cpu time spent up to now is 32.5 secs Computing kpt #: 22 total cpu time spent up to now is 33.6 secs Computing kpt #: 23 total cpu time spent up to now is 34.8 secs Computing kpt #: 24 total cpu time spent up to now is 36.0 secs Computing kpt #: 25 total cpu time spent up to now is 37.1 secs Computing kpt #: 26 total cpu time spent up to now is 38.2 secs Computing kpt #: 27 total cpu time spent up to now is 39.4 secs Computing kpt #: 28 total cpu time spent up to now is 40.5 secs Computing kpt #: 29 total cpu time spent up to now is 41.6 secs Computing kpt #: 30 total cpu time spent up to now is 42.7 secs Computing kpt #: 31 total cpu time spent up to now is 43.8 secs Computing kpt #: 32 total cpu time spent up to now is 44.9 secs Computing kpt #: 33 total cpu time spent up to now is 46.0 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.2 secs Computing kpt #: 36 total cpu time spent up to now is 49.4 secs Computing kpt #: 37 total cpu time spent up to now is 50.5 secs Computing kpt #: 38 total cpu time spent up to now is 51.8 secs Computing kpt #: 39 total cpu time spent up to now is 53.0 secs Computing kpt #: 40 total cpu time spent up to now is 54.4 secs Computing kpt #: 41 total cpu time spent up to now is 55.6 secs Computing kpt #: 42 total cpu time spent up to now is 56.7 secs Computing kpt #: 43 total cpu time spent up to now is 57.8 secs Computing kpt #: 44 total cpu time spent up to now is 59.2 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.8 secs Computing kpt #: 46 total cpu time spent up to now is 63.7 secs Computing kpt #: 47 total cpu time spent up to now is 65.4 secs Computing kpt #: 48 total cpu time spent up to now is 66.9 secs Computing kpt #: 49 total cpu time spent up to now is 68.4 secs Computing kpt #: 50 total cpu time spent up to now is 69.8 secs Computing kpt #: 51 total cpu time spent up to now is 71.0 secs Computing kpt #: 52 total cpu time spent up to now is 72.3 secs Computing kpt #: 53 total cpu time spent up to now is 73.5 secs Computing kpt #: 54 total cpu time spent up to now is 74.6 secs Computing kpt #: 55 total cpu time spent up to now is 75.8 secs Computing kpt #: 56 total cpu time spent up to now is 77.0 secs Computing kpt #: 57 total cpu time spent up to now is 78.2 secs Computing kpt #: 58 total cpu time spent up to now is 79.3 secs Computing kpt #: 59 total cpu time spent up to now is 80.2 secs Computing kpt #: 60 total cpu time spent up to now is 81.1 secs Computing kpt #: 61 total cpu time spent up to now is 82.1 secs Computing kpt #: 62 total cpu time spent up to now is 83.0 secs Computing kpt #: 63 total cpu time spent up to now is 83.9 secs Computing kpt #: 64 total cpu time spent up to now is 84.8 secs Computing kpt #: 65 total cpu time spent up to now is 85.7 secs Computing kpt #: 66 total cpu time spent up to now is 86.6 secs Computing kpt #: 67 total cpu time spent up to now is 87.5 secs Computing kpt #: 68 total cpu time spent up to now is 88.4 secs Computing kpt #: 69 total cpu time spent up to now is 89.3 secs Computing kpt #: 70 total cpu time spent up to now is 90.3 secs Computing kpt #: 71 total cpu time spent up to now is 91.2 secs Computing kpt #: 72 total cpu time spent up to now is 92.3 secs Computing kpt #: 73 total cpu time spent up to now is 93.4 secs Computing kpt #: 74 total cpu time spent up to now is 94.6 secs Computing kpt #: 75 total cpu time spent up to now is 95.8 secs Computing kpt #: 76 total cpu time spent up to now is 97.3 secs Computing kpt #: 77 total cpu time spent up to now is 98.7 secs Computing kpt #: 78 total cpu time spent up to now is 100.2 secs Computing kpt #: 79 total cpu time spent up to now is 101.7 secs Computing kpt #: 80 total cpu time spent up to now is 103.0 secs Computing kpt #: 81 total cpu time spent up to now is 104.2 secs Computing kpt #: 82 total cpu time spent up to now is 105.3 secs Computing kpt #: 83 total cpu time spent up to now is 106.4 secs Computing kpt #: 84 total cpu time spent up to now is 107.5 secs Computing kpt #: 85 total cpu time spent up to now is 108.7 secs Computing kpt #: 86 total cpu time spent up to now is 109.8 secs Computing kpt #: 87 total cpu time spent up to now is 110.9 secs Computing kpt #: 88 total cpu time spent up to now is 111.9 secs Computing kpt #: 89 total cpu time spent up to now is 113.1 secs Computing kpt #: 90 total cpu time spent up to now is 114.2 secs Computing kpt #: 91 total cpu time spent up to now is 115.3 secs Computing kpt #: 92 total cpu time spent up to now is 116.5 secs Computing kpt #: 93 total cpu time spent up to now is 117.6 secs Computing kpt #: 94 total cpu time spent up to now is 118.7 secs Computing kpt #: 95 total cpu time spent up to now is 119.9 secs Computing kpt #: 96 total cpu time spent up to now is 121.0 secs Computing kpt #: 97 total cpu time spent up to now is 122.2 secs Computing kpt #: 98 total cpu time spent up to now is 124.2 secs Computing kpt #: 99 total cpu time spent up to now is 125.5 secs Computing kpt #: 100 total cpu time spent up to now is 126.8 secs Computing kpt #: 101 total cpu time spent up to now is 128.3 secs Computing kpt #: 102 total cpu time spent up to now is 129.6 secs Computing kpt #: 103 total cpu time spent up to now is 131.1 secs Computing kpt #: 104 total cpu time spent up to now is 132.4 secs Computing kpt #: 105 total cpu time spent up to now is 133.7 secs Computing kpt #: 106 total cpu time spent up to now is 135.1 secs Computing kpt #: 107 total cpu time spent up to now is 136.5 secs Computing kpt #: 108 total cpu time spent up to now is 138.0 secs Computing kpt #: 109 total cpu time spent up to now is 139.5 secs Computing kpt #: 110 total cpu time spent up to now is 141.0 secs Computing kpt #: 111 total cpu time spent up to now is 142.5 secs Computing kpt #: 112 total cpu time spent up to now is 144.0 secs Computing kpt #: 113 total cpu time spent up to now is 145.6 secs Computing kpt #: 114 total cpu time spent up to now is 147.1 secs Computing kpt #: 115 total cpu time spent up to now is 148.7 secs Computing kpt #: 116 total cpu time spent up to now is 150.3 secs Computing kpt #: 117 total cpu time spent up to now is 152.0 secs Computing kpt #: 118 total cpu time spent up to now is 153.8 secs Computing kpt #: 119 total cpu time spent up to now is 155.9 secs Computing kpt #: 120 total cpu time spent up to now is 158.0 secs Computing kpt #: 121 total cpu time spent up to now is 160.5 secs Computing kpt #: 122 total cpu time spent up to now is 163.1 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.8 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 168.3 secs Computing kpt #: 125 total cpu time spent up to now is 170.1 secs Computing kpt #: 126 total cpu time spent up to now is 171.9 secs Computing kpt #: 127 total cpu time spent up to now is 173.5 secs Computing kpt #: 128 total cpu time spent up to now is 175.2 secs Computing kpt #: 129 total cpu time spent up to now is 176.6 secs Computing kpt #: 130 total cpu time spent up to now is 178.2 secs Computing kpt #: 131 total cpu time spent up to now is 179.7 secs Computing kpt #: 132 total cpu time spent up to now is 181.1 secs Computing kpt #: 133 total cpu time spent up to now is 182.5 secs Computing kpt #: 134 total cpu time spent up to now is 183.7 secs Computing kpt #: 135 total cpu time spent up to now is 184.9 secs Computing kpt #: 136 total cpu time spent up to now is 186.1 secs Computing kpt #: 137 total cpu time spent up to now is 187.4 secs Computing kpt #: 138 total cpu time spent up to now is 188.5 secs Computing kpt #: 139 total cpu time spent up to now is 189.7 secs Computing kpt #: 140 total cpu time spent up to now is 190.8 secs Computing kpt #: 141 total cpu time spent up to now is 191.9 secs Computing kpt #: 142 total cpu time spent up to now is 193.2 secs Computing kpt #: 143 total cpu time spent up to now is 194.4 secs Computing kpt #: 144 total cpu time spent up to now is 195.5 secs Computing kpt #: 145 total cpu time spent up to now is 196.6 secs Computing kpt #: 146 total cpu time spent up to now is 197.8 secs Computing kpt #: 147 total cpu time spent up to now is 198.9 secs Computing kpt #: 148 total cpu time spent up to now is 200.0 secs Computing kpt #: 149 total cpu time spent up to now is 201.1 secs Computing kpt #: 150 total cpu time spent up to now is 202.2 secs Computing kpt #: 151 total cpu time spent up to now is 203.2 secs Computing kpt #: 152 total cpu time spent up to now is 204.2 secs Computing kpt #: 153 total cpu time spent up to now is 205.2 secs Computing kpt #: 154 total cpu time spent up to now is 206.2 secs Computing kpt #: 155 total cpu time spent up to now is 207.2 secs Computing kpt #: 156 total cpu time spent up to now is 208.3 secs Computing kpt #: 157 total cpu time spent up to now is 209.4 secs Computing kpt #: 158 total cpu time spent up to now is 210.5 secs Computing kpt #: 159 total cpu time spent up to now is 211.6 secs Computing kpt #: 160 total cpu time spent up to now is 212.7 secs Computing kpt #: 161 total cpu time spent up to now is 213.8 secs Computing kpt #: 162 total cpu time spent up to now is 214.9 secs Computing kpt #: 163 total cpu time spent up to now is 216.0 secs Computing kpt #: 164 total cpu time spent up to now is 217.1 secs Computing kpt #: 165 total cpu time spent up to now is 218.2 secs Computing kpt #: 166 total cpu time spent up to now is 219.3 secs Computing kpt #: 167 total cpu time spent up to now is 220.4 secs Computing kpt #: 168 total cpu time spent up to now is 221.4 secs Computing kpt #: 169 total cpu time spent up to now is 222.5 secs Computing kpt #: 170 total cpu time spent up to now is 223.6 secs Computing kpt #: 171 total cpu time spent up to now is 224.6 secs Computing kpt #: 172 total cpu time spent up to now is 225.7 secs Computing kpt #: 173 total cpu time spent up to now is 226.8 secs Computing kpt #: 174 total cpu time spent up to now is 227.8 secs Computing kpt #: 175 total cpu time spent up to now is 229.5 secs Computing kpt #: 176 total cpu time spent up to now is 232.0 secs Computing kpt #: 177 total cpu time spent up to now is 233.7 secs Computing kpt #: 178 total cpu time spent up to now is 235.2 secs Computing kpt #: 179 total cpu time spent up to now is 236.7 secs Computing kpt #: 180 total cpu time spent up to now is 238.2 secs Computing kpt #: 181 total cpu time spent up to now is 239.6 secs Computing kpt #: 182 total cpu time spent up to now is 241.1 secs Computing kpt #: 183 total cpu time spent up to now is 242.6 secs Computing kpt #: 184 total cpu time spent up to now is 244.1 secs Computing kpt #: 185 total cpu time spent up to now is 245.5 secs Computing kpt #: 186 total cpu time spent up to now is 247.0 secs Computing kpt #: 187 total cpu time spent up to now is 248.4 secs Computing kpt #: 188 total cpu time spent up to now is 249.8 secs Computing kpt #: 189 total cpu time spent up to now is 251.2 secs Computing kpt #: 190 total cpu time spent up to now is 252.5 secs Computing kpt #: 191 total cpu time spent up to now is 253.6 secs Computing kpt #: 192 total cpu time spent up to now is 254.8 secs Computing kpt #: 193 total cpu time spent up to now is 256.2 secs Computing kpt #: 194 total cpu time spent up to now is 257.6 secs Computing kpt #: 195 total cpu time spent up to now is 258.8 secs Computing kpt #: 196 total cpu time spent up to now is 259.9 secs Computing kpt #: 197 total cpu time spent up to now is 261.1 secs Computing kpt #: 198 total cpu time spent up to now is 262.2 secs Computing kpt #: 199 total cpu time spent up to now is 263.3 secs Computing kpt #: 200 total cpu time spent up to now is 264.5 secs Computing kpt #: 201 total cpu time spent up to now is 265.6 secs Computing kpt #: 202 total cpu time spent up to now is 266.8 secs Computing kpt #: 203 total cpu time spent up to now is 267.9 secs Computing kpt #: 204 total cpu time spent up to now is 269.1 secs Computing kpt #: 205 total cpu time spent up to now is 270.2 secs Computing kpt #: 206 total cpu time spent up to now is 271.4 secs Computing kpt #: 207 total cpu time spent up to now is 272.5 secs Computing kpt #: 208 total cpu time spent up to now is 273.7 secs Computing kpt #: 209 total cpu time spent up to now is 274.9 secs Computing kpt #: 210 total cpu time spent up to now is 276.0 secs Computing kpt #: 211 total cpu time spent up to now is 277.2 secs Computing kpt #: 212 total cpu time spent up to now is 278.3 secs Computing kpt #: 213 total cpu time spent up to now is 279.4 secs Computing kpt #: 214 total cpu time spent up to now is 280.4 secs Computing kpt #: 215 total cpu time spent up to now is 281.5 secs Computing kpt #: 216 total cpu time spent up to now is 282.6 secs Computing kpt #: 217 total cpu time spent up to now is 283.7 secs Computing kpt #: 218 total cpu time spent up to now is 284.8 secs Computing kpt #: 219 total cpu time spent up to now is 285.9 secs Computing kpt #: 220 total cpu time spent up to now is 287.1 secs Computing kpt #: 221 total cpu time spent up to now is 288.2 secs Computing kpt #: 222 total cpu time spent up to now is 289.3 secs Computing kpt #: 223 total cpu time spent up to now is 290.4 secs Computing kpt #: 224 total cpu time spent up to now is 291.6 secs Computing kpt #: 225 total cpu time spent up to now is 292.7 secs Computing kpt #: 226 total cpu time spent up to now is 293.9 secs Computing kpt #: 227 total cpu time spent up to now is 295.0 secs Computing kpt #: 228 total cpu time spent up to now is 296.2 secs Computing kpt #: 229 total cpu time spent up to now is 297.4 secs Computing kpt #: 230 total cpu time spent up to now is 298.6 secs Computing kpt #: 231 total cpu time spent up to now is 299.8 secs Computing kpt #: 232 total cpu time spent up to now is 301.0 secs Computing kpt #: 233 total cpu time spent up to now is 302.2 secs Computing kpt #: 234 total cpu time spent up to now is 303.4 secs Computing kpt #: 235 total cpu time spent up to now is 304.6 secs Computing kpt #: 236 total cpu time spent up to now is 305.9 secs Computing kpt #: 237 total cpu time spent up to now is 307.0 secs Computing kpt #: 238 total cpu time spent up to now is 309.5 secs Computing kpt #: 239 total cpu time spent up to now is 311.2 secs Computing kpt #: 240 total cpu time spent up to now is 312.9 secs Computing kpt #: 241 total cpu time spent up to now is 314.5 secs Computing kpt #: 242 total cpu time spent up to now is 315.7 secs Computing kpt #: 243 total cpu time spent up to now is 317.0 secs Computing kpt #: 244 total cpu time spent up to now is 318.5 secs Computing kpt #: 245 total cpu time spent up to now is 319.5 secs Computing kpt #: 246 total cpu time spent up to now is 321.3 secs Computing kpt #: 247 total cpu time spent up to now is 322.9 secs Computing kpt #: 248 total cpu time spent up to now is 324.5 secs Computing kpt #: 249 total cpu time spent up to now is 325.9 secs Computing kpt #: 250 total cpu time spent up to now is 327.2 secs Computing kpt #: 251 total cpu time spent up to now is 328.6 secs Computing kpt #: 252 total cpu time spent up to now is 329.8 secs Computing kpt #: 253 total cpu time spent up to now is 331.2 secs Computing kpt #: 254 total cpu time spent up to now is 332.4 secs Computing kpt #: 255 total cpu time spent up to now is 333.8 secs Computing kpt #: 256 total cpu time spent up to now is 335.2 secs Computing kpt #: 257 total cpu time spent up to now is 336.6 secs Computing kpt #: 258 total cpu time spent up to now is 338.0 secs Computing kpt #: 259 total cpu time spent up to now is 339.5 secs Computing kpt #: 260 total cpu time spent up to now is 341.3 secs Computing kpt #: 261 total cpu time spent up to now is 343.4 secs Computing kpt #: 262 total cpu time spent up to now is 345.5 secs Computing kpt #: 263 total cpu time spent up to now is 346.9 secs Computing kpt #: 264 total cpu time spent up to now is 348.0 secs Computing kpt #: 265 total cpu time spent up to now is 348.9 secs Computing kpt #: 266 total cpu time spent up to now is 349.8 secs Computing kpt #: 267 total cpu time spent up to now is 350.7 secs Computing kpt #: 268 total cpu time spent up to now is 351.6 secs Computing kpt #: 269 total cpu time spent up to now is 352.5 secs Computing kpt #: 270 total cpu time spent up to now is 353.4 secs Computing kpt #: 271 total cpu time spent up to now is 354.3 secs Computing kpt #: 272 total cpu time spent up to now is 355.2 secs Computing kpt #: 273 total cpu time spent up to now is 356.2 secs Computing kpt #: 274 total cpu time spent up to now is 357.1 secs Computing kpt #: 275 total cpu time spent up to now is 358.2 secs Computing kpt #: 276 total cpu time spent up to now is 359.2 secs Computing kpt #: 277 total cpu time spent up to now is 360.3 secs Computing kpt #: 278 total cpu time spent up to now is 361.4 secs Computing kpt #: 279 total cpu time spent up to now is 362.5 secs Computing kpt #: 280 total cpu time spent up to now is 363.7 secs Computing kpt #: 281 total cpu time spent up to now is 365.0 secs Computing kpt #: 282 total cpu time spent up to now is 366.3 secs Computing kpt #: 283 total cpu time spent up to now is 367.6 secs Computing kpt #: 284 total cpu time spent up to now is 368.8 secs ethr = 1.92E-08, avg # of iterations = 34.4 total cpu time spent up to now is 368.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9677 PWs) bands (ev): -45.3637 -45.3637 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2209 -17.2209 -17.2201 -17.2201 -5.1693 -5.1693 -4.9460 -4.9460 0.8032 0.8032 0.8171 0.8171 1.4569 1.4569 1.4890 1.4890 2.1033 2.1033 2.2731 2.2731 2.9814 2.9814 3.3315 3.3315 3.4171 3.4171 3.5140 3.5140 3.9253 3.9253 5.2135 5.2135 6.8404 6.8404 6.9241 6.9241 7.1576 7.1576 7.3842 7.3842 7.4747 7.4747 7.7258 7.7258 11.0349 11.0349 11.4202 11.4202 11.4516 11.4516 k = 0.0125 0.0072-0.0000 ( 9675 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2208 -17.2208 -17.2201 -17.2201 -5.1684 -5.1684 -4.9452 -4.9452 0.8035 0.8035 0.8173 0.8173 1.4569 1.4569 1.4889 1.4889 2.1032 2.1032 2.2722 2.2722 2.9811 2.9811 3.3307 3.3307 3.4194 3.4194 3.5138 3.5138 3.9256 3.9256 5.2156 5.2156 6.8217 6.8217 6.8758 6.8758 7.1784 7.1784 7.4023 7.4023 7.4818 7.4818 7.7324 7.7324 11.0358 11.0358 11.4105 11.4105 11.4577 11.4577 k = 0.0250 0.0144-0.0000 ( 9643 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2201 -17.2201 -5.1657 -5.1657 -4.9429 -4.9429 0.8043 0.8043 0.8179 0.8179 1.4568 1.4568 1.4887 1.4887 2.1028 2.1028 2.2692 2.2692 2.9802 2.9802 3.3281 3.3281 3.4263 3.4263 3.5133 3.5133 3.9263 3.9263 5.2218 5.2218 6.7689 6.7689 6.7735 6.7735 7.1968 7.1968 7.4520 7.4520 7.5029 7.5029 7.7546 7.7546 11.0373 11.0373 11.3928 11.3928 11.4674 11.4674 k = 0.0375 0.0217-0.0000 ( 9633 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2201 -17.2201 -5.1613 -5.1613 -4.9391 -4.9391 0.8056 0.8056 0.8190 0.8190 1.4568 1.4568 1.4884 1.4884 2.1021 2.1021 2.2644 2.2644 2.9787 2.9787 3.3239 3.3239 3.4375 3.4375 3.5125 3.5125 3.9276 3.9276 5.2321 5.2321 6.6506 6.6506 6.6935 6.6935 7.1895 7.1895 7.4749 7.4749 7.5725 7.5725 7.7959 7.7959 11.0368 11.0368 11.3778 11.3778 11.4758 11.4758 k = 0.0500 0.0289-0.0000 ( 9619 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2207 -17.2207 -17.2201 -17.2201 -5.1552 -5.1552 -4.9339 -4.9339 0.8074 0.8074 0.8203 0.8203 1.4567 1.4567 1.4880 1.4880 2.1011 2.1011 2.2579 2.2579 2.9768 2.9768 3.3179 3.3179 3.4527 3.4527 3.5115 3.5115 3.9295 3.9295 5.2463 5.2463 6.5207 6.5207 6.6005 6.6005 7.1640 7.1640 7.4626 7.4626 7.6747 7.6747 7.8546 7.8546 11.0307 11.0307 11.3723 11.3723 11.4820 11.4820 k = 0.0625 0.0361-0.0000 ( 9611 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2207 -17.2207 -17.2202 -17.2202 -5.1473 -5.1473 -4.9271 -4.9271 0.8096 0.8096 0.8220 0.8220 1.4568 1.4568 1.4876 1.4876 2.0999 2.0999 2.2498 2.2498 2.9746 2.9746 3.3104 3.3104 3.4714 3.4714 3.5106 3.5106 3.9321 3.9321 5.2642 5.2642 6.3867 6.3867 6.4966 6.4966 7.1263 7.1263 7.4330 7.4330 7.7832 7.7832 7.9248 7.9248 11.0173 11.0173 11.3800 11.3800 11.4848 11.4848 k = 0.0750 0.0433-0.0000 ( 9609 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2202 -17.2202 -5.1378 -5.1378 -4.9189 -4.9189 0.8123 0.8123 0.8240 0.8240 1.4570 1.4570 1.4874 1.4874 2.0984 2.0984 2.2403 2.2403 2.9721 2.9721 3.3012 3.3012 3.4925 3.4925 3.5104 3.5104 3.9356 3.9356 5.2856 5.2856 6.2502 6.2502 6.3851 6.3851 7.0793 7.0793 7.3909 7.3909 7.8918 7.8918 8.0011 8.0011 10.9982 10.9982 11.3998 11.3998 11.4826 11.4826 k = 0.0875 0.0505-0.0000 ( 9605 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2202 -17.2202 -5.1266 -5.1266 -4.9093 -4.9093 0.8153 0.8153 0.8262 0.8262 1.4575 1.4575 1.4874 1.4874 2.0966 2.0966 2.2296 2.2296 2.9694 2.9694 3.2906 3.2906 3.5051 3.5051 3.5213 3.5213 3.9403 3.9403 5.3101 5.3101 6.1123 6.1123 6.2684 6.2684 7.0245 7.0245 7.3391 7.3391 7.9972 7.9972 8.0799 8.0799 10.9771 10.9771 11.4264 11.4264 11.4747 11.4747 k = 0.1000 0.0577-0.0000 ( 9595 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2209 -17.2209 -17.2202 -17.2202 -5.1137 -5.1137 -4.8983 -4.8983 0.8185 0.8185 0.8285 0.8285 1.4583 1.4583 1.4877 1.4877 2.0946 2.0946 2.2180 2.2180 2.9667 2.9667 3.2787 3.2787 3.5053 3.5053 3.5466 3.5466 3.9465 3.9465 5.3372 5.3372 5.9737 5.9737 6.1481 6.1481 6.9631 6.9631 7.2795 7.2795 8.0970 8.0970 8.1597 8.1597 10.9582 10.9582 11.4513 11.4513 11.4619 11.4619 k = 0.1125 0.0650-0.0000 ( 9595 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2209 -17.2209 -17.2203 -17.2203 -5.0994 -5.0994 -4.8860 -4.8860 0.8218 0.8218 0.8310 0.8310 1.4595 1.4595 1.4886 1.4886 2.0923 2.0923 2.2056 2.2056 2.9639 2.9639 3.2655 3.2655 3.5046 3.5046 3.5742 3.5742 3.9547 3.9547 5.3665 5.3665 5.8348 5.8348 6.0257 6.0257 6.8961 6.8961 7.2134 7.2134 8.1881 8.1881 8.2408 8.2408 10.9450 10.9450 11.4460 11.4460 11.4623 11.4623 k = 0.1250 0.0722-0.0000 ( 9587 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2285 -17.2285 -17.2210 -17.2210 -17.2203 -17.2203 -5.0835 -5.0835 -4.8725 -4.8725 0.8252 0.8252 0.8337 0.8337 1.4613 1.4613 1.4900 1.4900 2.0897 2.0897 2.1926 2.1926 2.9612 2.9612 3.2512 3.2512 3.5038 3.5038 3.6022 3.6022 3.9653 3.9653 5.3968 5.3968 5.6963 5.6963 5.9026 5.9026 6.8242 6.8242 7.1419 7.1419 8.2677 8.2677 8.3240 8.3240 10.9399 10.9399 11.4301 11.4301 11.4417 11.4417 k = 0.1375 0.0794-0.0000 ( 9595 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2211 -17.2211 -17.2204 -17.2204 -5.0662 -5.0662 -4.8578 -4.8578 0.8283 0.8283 0.8365 0.8365 1.4637 1.4637 1.4922 1.4922 2.0869 2.0869 2.1793 2.1793 2.9585 2.9585 3.2361 3.2361 3.5031 3.5031 3.6297 3.6297 3.9793 3.9793 5.4257 5.4257 5.5587 5.5587 5.7813 5.7813 6.7482 6.7482 7.0660 7.0660 8.3361 8.3361 8.4073 8.4073 10.9444 10.9444 11.3804 11.3804 11.4162 11.4162 k = 0.1500 0.0866-0.0000 ( 9587 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2212 -17.2212 -17.2204 -17.2204 -5.0475 -5.0475 -4.8419 -4.8419 0.8311 0.8311 0.8396 0.8396 1.4668 1.4668 1.4953 1.4953 2.0839 2.0839 2.1658 2.1658 2.9558 2.9558 3.2202 3.2202 3.5025 3.5025 3.6554 3.6554 3.9972 3.9972 5.4181 5.4181 5.4503 5.4503 5.6696 5.6696 6.6689 6.6689 6.9866 6.9866 8.3952 8.3952 8.4876 8.4876 10.9590 10.9590 11.2884 11.2884 11.4060 11.4060 k = 0.1625 0.0938-0.0000 ( 9585 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2212 -17.2212 -17.2205 -17.2205 -5.0275 -5.0275 -4.8251 -4.8251 0.8333 0.8333 0.8430 0.8430 1.4706 1.4706 1.4992 1.4992 2.0806 2.0806 2.1522 2.1522 2.9533 2.9533 3.2038 3.2038 3.5020 3.5020 3.6784 3.6784 4.0198 4.0198 5.2851 5.2851 5.4299 5.4299 5.5980 5.5980 6.5869 6.5869 6.9043 6.9043 8.4460 8.4460 8.5632 8.5632 10.9830 10.9830 11.1802 11.1802 11.4008 11.4008 k = 0.1750 0.1010-0.0000 ( 9575 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2213 -17.2213 -17.2206 -17.2206 -5.0063 -5.0063 -4.8073 -4.8073 0.8349 0.8349 0.8467 0.8467 1.4753 1.4753 1.5042 1.5042 2.0772 2.0772 2.1388 2.1388 2.9509 2.9509 3.1870 3.1870 3.5015 3.5015 3.6979 3.6979 4.0477 4.0477 5.1516 5.1516 5.3431 5.3431 5.5965 5.5965 6.5028 6.5028 6.8200 6.8200 8.4887 8.4887 8.6333 8.6333 11.0071 11.0071 11.0728 11.0728 11.4015 11.4015 k = 0.1875 0.1083-0.0000 ( 9571 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2214 -17.2214 -17.2206 -17.2206 -4.9840 -4.9840 -4.7886 -4.7886 0.8360 0.8360 0.8506 0.8506 1.4808 1.4808 1.5102 1.5102 2.0736 2.0736 2.1256 2.1256 2.9485 2.9485 3.1699 3.1699 3.5010 3.5010 3.7134 3.7134 4.0809 4.0809 5.0203 5.0203 5.2285 5.2285 5.6247 5.6247 6.4170 6.4170 6.7342 6.7342 8.5239 8.5239 8.6977 8.6977 10.9306 10.9306 11.0687 11.0687 11.4079 11.4079 k = 0.2000 0.1155-0.0000 ( 9563 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2214 -17.2214 -17.2207 -17.2207 -4.9607 -4.9607 -4.7692 -4.7692 0.8366 0.8366 0.8547 0.8547 1.4871 1.4871 1.5173 1.5173 2.0698 2.0698 2.1128 2.1128 2.9463 2.9463 3.1526 3.1526 3.5003 3.5003 3.7249 3.7249 4.1192 4.1192 4.8916 4.8916 5.1080 5.1080 5.6605 5.6605 6.3302 6.3302 6.6476 6.6476 8.5518 8.5518 8.7562 8.7562 10.8105 10.8105 11.1096 11.1096 11.4176 11.4176 k = 0.2125 0.1227-0.0000 ( 9559 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4055 -17.4055 -17.4038 -17.4038 -17.2321 -17.2321 -17.2285 -17.2285 -17.2215 -17.2215 -17.2208 -17.2208 -4.9365 -4.9365 -4.7491 -4.7491 0.8368 0.8368 0.8589 0.8589 1.4943 1.4943 1.5253 1.5253 2.0659 2.0659 2.1005 2.1005 2.9442 2.9442 3.1354 3.1354 3.4995 3.4995 3.7325 3.7325 4.1620 4.1620 4.7661 4.7661 4.9872 4.9872 5.6987 5.6987 6.2428 6.2428 6.5610 6.5610 8.5731 8.5731 8.8091 8.8091 10.6883 10.6883 11.1495 11.1495 11.4227 11.4227 k = 0.2250 0.1299-0.0000 ( 9569 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4055 -17.4055 -17.4038 -17.4038 -17.2321 -17.2321 -17.2286 -17.2286 -17.2216 -17.2216 -17.2209 -17.2209 -4.9115 -4.9115 -4.7285 -4.7285 0.8366 0.8366 0.8633 0.8633 1.5021 1.5021 1.5342 1.5342 2.0619 2.0619 2.0887 2.0887 2.9422 2.9422 3.1182 3.1182 3.4984 3.4984 3.7365 3.7365 4.2084 4.2084 4.6443 4.6443 4.8681 4.8681 5.7370 5.7370 6.1553 6.1553 6.4750 6.4750 8.5884 8.5884 8.8565 8.8565 10.5668 10.5668 11.1794 11.1794 11.4166 11.4166 k = 0.2375 0.1371-0.0000 ( 9569 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4055 -17.4055 -17.4039 -17.4039 -17.2321 -17.2321 -17.2286 -17.2286 -17.2217 -17.2217 -17.2210 -17.2210 -4.8858 -4.8858 -4.7075 -4.7075 0.8362 0.8362 0.8679 0.8679 1.5106 1.5106 1.5439 1.5439 2.0579 2.0579 2.0777 2.0777 2.9402 2.9402 3.1012 3.1012 3.4967 3.4967 3.7370 3.7370 4.2574 4.2574 4.5269 4.5269 4.7525 4.7525 5.7742 5.7742 6.0680 6.0680 6.3906 6.3906 8.5987 8.5987 8.8986 8.8986 10.4469 10.4469 11.1908 11.1908 11.4087 11.4087 k = 0.2500 0.1443-0.0000 ( 9569 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4056 -17.4056 -17.4039 -17.4039 -17.2321 -17.2321 -17.2286 -17.2286 -17.2218 -17.2218 -17.2210 -17.2210 -4.8597 -4.8597 -4.6863 -4.6863 0.8355 0.8355 0.8727 0.8727 1.5195 1.5195 1.5541 1.5541 2.0539 2.0539 2.0675 2.0675 2.9384 2.9384 3.0845 3.0845 3.4944 3.4944 3.7342 3.7342 4.3065 4.3065 4.4152 4.4152 4.6423 4.6423 5.8085 5.8085 5.9815 5.9815 6.3092 6.3092 8.6047 8.6047 8.9359 8.9359 10.3295 10.3295 11.1788 11.1788 11.4136 11.4136 k = 0.2625 0.1516-0.0000 ( 9563 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4056 -17.4056 -17.4040 -17.4040 -17.2321 -17.2321 -17.2286 -17.2286 -17.2218 -17.2218 -17.2211 -17.2211 -4.8331 -4.8331 -4.6648 -4.6648 0.8347 0.8347 0.8778 0.8778 1.5287 1.5287 1.5647 1.5647 2.0498 2.0498 2.0583 2.0583 2.9366 2.9366 3.0682 3.0682 3.4911 3.4911 3.7277 3.7277 4.3017 4.3017 4.3589 4.3589 4.5431 4.5431 5.8365 5.8365 5.8970 5.8970 6.2332 6.2332 8.6070 8.6070 8.9685 8.9685 10.2149 10.2149 11.1480 11.1480 11.4334 11.4334 k = 0.2750 0.1588-0.0000 ( 9574 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4056 -17.4056 -17.4040 -17.4040 -17.2321 -17.2321 -17.2287 -17.2287 -17.2220 -17.2220 -17.2212 -17.2212 -4.8063 -4.8063 -4.6434 -4.6434 0.8339 0.8339 0.8834 0.8834 1.5379 1.5379 1.5754 1.5754 2.0453 2.0453 2.0506 2.0506 2.9348 2.9348 3.0523 3.0523 3.4865 3.4865 3.7169 3.7169 4.2041 4.2041 4.3675 4.3675 4.4862 4.4862 5.8078 5.8078 5.8609 5.8609 6.1670 6.1670 8.6065 8.6065 8.9969 8.9969 10.1037 10.1037 11.1074 11.1074 11.4633 11.4633 k = 0.2875 0.1660-0.0000 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4057 -17.4057 -17.4040 -17.4040 -17.2321 -17.2321 -17.2287 -17.2287 -17.2220 -17.2220 -17.2213 -17.2213 -4.7793 -4.7793 -4.6221 -4.6221 0.8331 0.8331 0.8895 0.8895 1.5470 1.5470 1.5858 1.5858 2.0396 2.0396 2.0452 2.0452 2.9330 2.9330 3.0370 3.0370 3.4800 3.4800 3.7011 3.7011 4.1117 4.1117 4.3041 4.3041 4.5122 4.5122 5.7265 5.7265 5.8612 5.8612 6.1187 6.1187 8.6038 8.6038 9.0216 9.0216 9.9963 9.9963 11.0628 11.0628 11.4996 11.4996 k = 0.3000 0.1732-0.0000 ( 9556 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4057 -17.4057 -17.4041 -17.4041 -17.2321 -17.2321 -17.2287 -17.2287 -17.2221 -17.2221 -17.2213 -17.2213 -4.7525 -4.7525 -4.6012 -4.6012 0.8326 0.8326 0.8962 0.8962 1.5556 1.5556 1.5958 1.5958 2.0335 2.0335 2.0416 2.0416 2.9310 2.9310 3.0223 3.0223 3.4710 3.4710 3.6791 3.6791 4.0280 4.0280 4.2241 4.2241 4.5649 4.5649 5.6459 5.6459 5.8367 5.8367 6.0965 6.0965 8.5993 8.5993 9.0429 9.0429 9.8931 9.8931 11.0174 11.0174 11.5405 11.5405 k = 0.3125 0.1804-0.0000 ( 9570 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4057 -17.4057 -17.4042 -17.4042 -17.2321 -17.2321 -17.2288 -17.2288 -17.2222 -17.2222 -17.2214 -17.2214 -4.7259 -4.7259 -4.5806 -4.5806 0.8323 0.8323 0.9035 0.9035 1.5636 1.5636 1.6049 1.6049 2.0280 2.0280 2.0388 2.0388 2.9286 2.9286 3.0085 3.0085 3.4586 3.4586 3.6498 3.6498 3.9543 3.9543 4.1497 4.1497 4.6230 4.6230 5.5674 5.5674 5.7894 5.7894 6.0973 6.0973 8.5936 8.5936 9.0611 9.0611 9.7945 9.7945 10.9728 10.9728 11.5851 11.5851 k = 0.3250 0.1876-0.0000 ( 9566 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4057 -17.4057 -17.4042 -17.4042 -17.2321 -17.2321 -17.2288 -17.2288 -17.2223 -17.2223 -17.2215 -17.2215 -4.6997 -4.6997 -4.5607 -4.5607 0.8323 0.8323 0.9115 0.9115 1.5707 1.5707 1.6128 1.6128 2.0234 2.0234 2.0366 2.0366 2.9257 2.9257 2.9958 2.9958 3.4419 3.4419 3.6132 3.6132 3.8912 3.8912 4.0858 4.0858 4.6828 4.6828 5.4915 5.4915 5.7300 5.7300 6.1103 6.1103 8.5870 8.5870 9.0767 9.0767 9.7007 9.7007 10.9300 10.9300 11.6328 11.6328 k = 0.3375 0.1949-0.0000 ( 9574 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4058 -17.4058 -17.4043 -17.4043 -17.2321 -17.2321 -17.2289 -17.2289 -17.2224 -17.2224 -17.2216 -17.2216 -4.6741 -4.6741 -4.5415 -4.5415 0.8327 0.8327 0.9203 0.9203 1.5767 1.5767 1.6192 1.6192 2.0197 2.0197 2.0349 2.0349 2.9218 2.9218 2.9846 2.9846 3.4199 3.4199 3.5704 3.5704 3.8383 3.8383 4.0338 4.0338 4.7432 4.7432 5.4186 5.4186 5.6664 5.6664 6.1277 6.1277 8.5798 8.5798 9.0899 9.0899 9.6122 9.6122 10.8893 10.8893 11.6836 11.6836 k = 0.3500 0.2021-0.0000 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4043 -17.4043 -17.2322 -17.2322 -17.2289 -17.2289 -17.2224 -17.2224 -17.2216 -17.2216 -4.6492 -4.6492 -4.5231 -4.5231 0.8335 0.8335 0.9299 0.9299 1.5814 1.5814 1.6240 1.6240 2.0169 2.0169 2.0337 2.0337 2.9167 2.9167 2.9753 2.9753 3.3922 3.3922 3.5241 3.5241 3.7948 3.7948 3.9934 3.9934 4.8035 4.8035 5.3490 5.3490 5.6024 5.6024 6.1456 6.1456 8.5722 8.5722 9.1011 9.1011 9.5294 9.5294 10.8513 10.8513 11.7370 11.7370 k = 0.3625 0.2093-0.0000 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4043 -17.4043 -17.2321 -17.2321 -17.2289 -17.2289 -17.2225 -17.2225 -17.2216 -17.2216 -4.6253 -4.6253 -4.5058 -4.5058 0.8347 0.8347 0.9402 0.9402 1.5847 1.5847 1.6268 1.6268 2.0149 2.0149 2.0330 2.0330 2.9099 2.9099 2.9682 2.9682 3.3596 3.3596 3.4768 3.4768 3.7601 3.7601 3.9630 3.9630 4.8630 4.8630 5.2831 5.2831 5.5400 5.5400 6.1621 6.1621 8.5646 8.5646 9.1106 9.1106 9.4524 9.4524 10.8161 10.8161 11.7930 11.7930 k = 0.3750 0.2165-0.0000 ( 9562 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4044 -17.4044 -17.2322 -17.2322 -17.2289 -17.2289 -17.2225 -17.2225 -17.2217 -17.2217 -4.6025 -4.6025 -4.4897 -4.4897 0.8364 0.8364 0.9511 0.9511 1.5867 1.5867 1.6276 1.6276 2.0138 2.0138 2.0327 2.0327 2.9017 2.9017 2.9632 2.9632 3.3238 3.3238 3.4304 3.4304 3.7333 3.7333 3.9403 3.9403 4.9212 4.9212 5.2213 5.2213 5.4806 5.4806 6.1763 6.1763 8.5570 8.5570 9.1185 9.1185 9.3817 9.3817 10.7838 10.7838 11.8515 11.8515 k = 0.3875 0.2237-0.0000 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4044 -17.4044 -17.2322 -17.2322 -17.2289 -17.2289 -17.2226 -17.2226 -17.2218 -17.2218 -4.5810 -4.5810 -4.4749 -4.4749 0.8384 0.8384 0.9625 0.9625 1.5873 1.5873 1.6264 1.6264 2.0133 2.0133 2.0327 2.0327 2.8925 2.8925 2.9599 2.9599 3.2869 3.2869 3.3862 3.3862 3.7132 3.7132 3.9233 3.9233 4.9774 4.9774 5.1639 5.1639 5.4249 5.4249 6.1876 6.1876 8.5497 8.5497 9.1251 9.1251 9.3173 9.3173 10.7546 10.7546 11.9122 11.9122 k = 0.4000 0.2309-0.0000 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4044 -17.4044 -17.2322 -17.2322 -17.2289 -17.2289 -17.2226 -17.2226 -17.2218 -17.2218 -4.5611 -4.5611 -4.4615 -4.4615 0.8408 0.8408 0.9743 0.9743 1.5867 1.5867 1.6233 1.6233 2.0134 2.0134 2.0328 2.0328 2.8829 2.8829 2.9577 2.9577 3.2512 3.2512 3.3453 3.3453 3.6985 3.6985 3.9104 3.9104 5.0308 5.0308 5.1116 5.1116 5.3735 5.3735 6.1960 6.1960 8.5427 8.5427 9.1305 9.1305 9.2597 9.2597 10.7285 10.7285 11.9751 11.9751 k = 0.4125 0.2382-0.0000 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2227 -17.2227 -17.2219 -17.2219 -4.5428 -4.5428 -4.4496 -4.4496 0.8434 0.8434 0.9861 0.9861 1.5852 1.5852 1.6186 1.6186 2.0140 2.0140 2.0329 2.0329 2.8735 2.8735 2.9563 2.9563 3.2183 3.2183 3.3084 3.3084 3.6878 3.6878 3.9005 3.9005 5.0604 5.0604 5.0849 5.0849 5.3270 5.3270 6.2015 6.2015 8.5363 8.5363 9.1349 9.1349 9.2089 9.2089 10.7055 10.7055 12.0400 12.0400 k = 0.4250 0.2454-0.0000 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2227 -17.2227 -17.2219 -17.2219 -4.5264 -4.5264 -4.4392 -4.4392 0.8461 0.8461 0.9977 0.9977 1.5830 1.5830 1.6127 1.6127 2.0150 2.0150 2.0328 2.0328 2.8646 2.8646 2.9553 2.9553 3.1892 3.1892 3.2761 3.2761 3.6800 3.6800 3.8929 3.8929 5.0205 5.0205 5.1292 5.1292 5.2857 5.2857 6.2044 6.2044 8.5304 8.5304 9.1379 9.1379 9.1654 9.1654 10.6856 10.6856 12.1066 12.1066 k = 0.4375 0.2526-0.0000 ( 9562 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2227 -17.2227 -17.2219 -17.2219 -4.5120 -4.5120 -4.4305 -4.4305 0.8488 0.8488 1.0086 1.0086 1.5806 1.5806 1.6059 1.6059 2.0162 2.0162 2.0325 2.0325 2.8567 2.8567 2.9544 2.9544 3.1645 3.1645 3.2487 3.2487 3.6745 3.6745 3.8870 3.8870 4.9843 4.9843 5.1705 5.1705 5.2502 5.2502 6.2051 6.2051 8.5252 8.5252 9.1255 9.1255 9.1435 9.1435 10.6689 10.6689 12.1746 12.1746 k = 0.4500 0.2598-0.0000 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.5000 -4.5000 -4.4234 -4.4234 0.8512 0.8512 1.0185 1.0185 1.5782 1.5782 1.5989 1.5989 2.0176 2.0176 2.0319 2.0319 2.8499 2.8499 2.9535 2.9535 3.1447 3.1447 3.2263 3.2263 3.6706 3.6706 3.8825 3.8825 4.9542 4.9542 5.2054 5.2054 5.2215 5.2215 6.2042 6.2042 8.5207 8.5207 9.0962 9.0962 9.1447 9.1447 10.6552 10.6552 12.2433 12.2433 k = 0.4625 0.2670-0.0000 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2227 -17.2227 -17.2220 -17.2220 -4.4903 -4.4903 -4.4180 -4.4180 0.8533 0.8533 1.0268 1.0268 1.5764 1.5764 1.5921 1.5921 2.0192 2.0192 2.0310 2.0310 2.8445 2.8445 2.9526 2.9526 3.1298 3.1298 3.2088 3.2088 3.6679 3.6679 3.8792 3.8792 4.9304 4.9304 5.1965 5.1965 5.2362 5.2362 6.2025 6.2025 8.5172 8.5172 9.0729 9.0729 9.1462 9.1462 10.6446 10.6446 12.3118 12.3118 k = 0.4750 0.2742-0.0000 ( 9566 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4833 -4.4833 -4.4141 -4.4141 0.8549 0.8549 1.0331 1.0331 1.5756 1.5756 1.5861 1.5861 2.0207 2.0207 2.0300 2.0300 2.8406 2.8406 2.9518 2.9518 3.1194 3.1194 3.1963 3.1963 3.6662 3.6662 3.8769 3.8769 4.9133 4.9133 5.1798 5.1798 5.2575 5.2575 6.2006 6.2006 8.5146 8.5146 9.0562 9.0562 9.1473 9.1473 10.6371 10.6371 12.3774 12.3774 k = 0.4875 0.2815-0.0000 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4790 -4.4790 -4.4119 -4.4119 0.8560 0.8560 1.0371 1.0371 1.5759 1.5759 1.5812 1.5812 2.0219 2.0219 2.0291 2.0291 2.8382 2.8382 2.9513 2.9513 3.1134 3.1134 3.1889 3.1889 3.6652 3.6652 3.8756 3.8756 4.9029 4.9029 5.1697 5.1697 5.2707 5.2707 6.1992 6.1992 8.5131 8.5131 9.0462 9.0462 9.1480 9.1480 10.6326 10.6326 12.4329 12.4329 k = 0.5000 0.2887-0.0000 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4776 -4.4776 -4.4111 -4.4111 0.8563 0.8563 1.0385 1.0385 1.5776 1.5776 1.5780 1.5780 2.0224 2.0224 2.0286 2.0286 2.8374 2.8374 2.9510 2.9510 3.1115 3.1115 3.1864 3.1864 3.6649 3.6649 3.8751 3.8751 4.8994 4.8994 5.1663 5.1663 5.2752 5.2752 6.1987 6.1987 8.5125 8.5125 9.0429 9.0429 9.1482 9.1482 10.6311 10.6311 12.4580 12.4580 k = 0.5000 0.2887-0.0000 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4776 -4.4776 -4.4111 -4.4111 0.8563 0.8563 1.0385 1.0385 1.5776 1.5776 1.5780 1.5780 2.0224 2.0224 2.0286 2.0286 2.8374 2.8374 2.9510 2.9510 3.1115 3.1115 3.1864 3.1864 3.6649 3.6649 3.8751 3.8751 4.8994 4.8994 5.1663 5.1663 5.2752 5.2752 6.1987 6.1987 8.5125 8.5125 9.0429 9.0429 9.1482 9.1482 10.6311 10.6311 12.4580 12.4580 k = 0.4928 0.3012-0.0000 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4772 -4.4772 -4.4108 -4.4108 0.8565 0.8565 1.0383 1.0383 1.5648 1.5648 1.5931 1.5931 2.0154 2.0154 2.0364 2.0364 2.8362 2.8362 2.9506 2.9506 3.1108 3.1108 3.1878 3.1878 3.6647 3.6647 3.8748 3.8748 4.8901 4.8901 5.1600 5.1600 5.2771 5.2771 6.1987 6.1987 8.5233 8.5233 9.0453 9.0453 9.1582 9.1582 10.6297 10.6297 12.4578 12.4578 k = 0.4855 0.3138-0.0000 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2229 -17.2229 -17.2220 -17.2220 -4.4760 -4.4760 -4.4099 -4.4099 0.8571 0.8571 1.0379 1.0379 1.5540 1.5540 1.6106 1.6106 2.0066 2.0066 2.0472 2.0472 2.8328 2.8328 2.9491 2.9491 3.1091 3.1091 3.1919 3.1919 3.6639 3.6639 3.8738 3.8738 4.8626 4.8626 5.1416 5.1416 5.2825 5.2825 6.1986 6.1986 8.5554 8.5554 9.0527 9.0527 9.1878 9.1878 10.6254 10.6254 12.4570 12.4570 k = 0.4783 0.3263-0.0000 ( 9566 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2229 -17.2229 -17.2220 -17.2220 -4.4742 -4.4742 -4.4085 -4.4085 0.8580 0.8580 1.0373 1.0373 1.5453 1.5453 1.6304 1.6304 1.9983 1.9983 2.0589 2.0589 2.8272 2.8272 2.9468 2.9468 3.1066 3.1066 3.1982 3.1982 3.6627 3.6627 3.8721 3.8721 4.8188 4.8188 5.1114 5.1114 5.2910 5.2910 6.1983 6.1983 8.6074 8.6074 9.0655 9.0655 9.2360 9.2360 10.6184 10.6184 12.4446 12.4447 k = 0.4710 0.3389-0.0000 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2229 -17.2229 -17.2220 -17.2220 -4.4716 -4.4716 -4.4065 -4.4065 0.8593 0.8593 1.0365 1.0365 1.5386 1.5386 1.6523 1.6523 1.9905 1.9905 2.0713 2.0713 2.8196 2.8196 2.9436 2.9436 3.1036 3.1036 3.2062 3.2062 3.6611 3.6611 3.8698 3.8698 4.7607 4.7607 5.0703 5.0703 5.3022 5.3022 6.1978 6.1978 8.6773 8.6773 9.0844 9.0844 9.3014 9.3014 10.6086 10.6086 12.3014 12.3014 k = 0.4638 0.3514-0.0000 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2229 -17.2229 -17.2220 -17.2220 -4.4683 -4.4683 -4.4039 -4.4039 0.8609 0.8609 1.0358 1.0358 1.5337 1.5337 1.6763 1.6763 1.9834 1.9834 2.0846 2.0846 2.8102 2.8102 2.9396 2.9396 3.1004 3.1004 3.2154 3.2154 3.6589 3.6589 3.8669 3.8669 4.6910 4.6910 5.0191 5.0191 5.3161 5.3161 6.1969 6.1969 8.7619 8.7619 9.1106 9.1106 9.3821 9.3821 10.5960 10.5960 12.1524 12.1524 k = 0.4565 0.3640-0.0000 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2229 -17.2229 -17.2221 -17.2221 -4.4643 -4.4643 -4.4009 -4.4009 0.8628 0.8628 1.0351 1.0351 1.5304 1.5304 1.7023 1.7023 1.9769 1.9769 2.0986 2.0986 2.7993 2.7993 2.9348 2.9348 3.0973 3.0973 3.2256 3.2256 3.6564 3.6564 3.8635 3.8635 4.6121 4.6121 4.9588 4.9588 5.3327 5.3327 6.1956 6.1956 8.8566 8.8566 9.1467 9.1467 9.4762 9.4762 10.5808 10.5808 12.0064 12.0064 k = 0.4493 0.3765-0.0000 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2230 -17.2230 -17.2221 -17.2221 -4.4597 -4.4597 -4.3975 -4.3975 0.8650 0.8650 1.0348 1.0348 1.5284 1.5284 1.7301 1.7301 1.9709 1.9709 2.1135 2.1135 2.7870 2.7870 2.9293 2.9293 3.0942 3.0942 3.2364 3.2364 3.6535 3.6535 3.8595 3.8595 4.5264 4.5264 4.8909 4.8909 5.3517 5.3517 6.1937 6.1937 8.9533 8.9533 9.1985 9.1985 9.5817 9.5817 10.5631 10.5631 11.8642 11.8642 k = 0.4420 0.3891-0.0000 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2230 -17.2230 -17.2221 -17.2221 -4.4546 -4.4546 -4.3936 -4.3936 0.8673 0.8673 1.0349 1.0349 1.5276 1.5276 1.7595 1.7595 1.9657 1.9657 2.1291 2.1291 2.7737 2.7737 2.9230 2.9230 3.0913 3.0913 3.2477 3.2477 3.6503 3.6503 3.8550 3.8550 4.4362 4.4362 4.8167 4.8167 5.3732 5.3732 6.1911 6.1911 9.0410 9.0410 9.2747 9.2747 9.6963 9.6963 10.5431 10.5431 11.7264 11.7264 k = 0.4348 0.4016-0.0000 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2321 -17.2321 -17.2290 -17.2290 -17.2230 -17.2230 -17.2221 -17.2221 -4.4490 -4.4490 -4.3895 -4.3895 0.8697 0.8697 1.0356 1.0356 1.5276 1.5276 1.7903 1.7903 1.9612 1.9612 2.1455 2.1455 2.7597 2.7597 2.9160 2.9160 3.0885 3.0885 3.2592 3.2592 3.6467 3.6467 3.8499 3.8499 4.3434 4.3434 4.7379 4.7379 5.3970 5.3970 6.1875 6.1875 9.1124 9.1124 9.3802 9.3802 9.8180 9.8180 10.5211 10.5211 11.5932 11.5932 k = 0.4275 0.4142-0.0000 ( 9566 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2230 -17.2230 -17.2222 -17.2222 -4.4430 -4.4430 -4.3851 -4.3851 0.8722 0.8722 1.0370 1.0370 1.5282 1.5282 1.8220 1.8220 1.9578 1.9578 2.1626 2.1626 2.7450 2.7450 2.9083 2.9083 3.0857 3.0857 3.2709 3.2709 3.6428 3.6428 3.8442 3.8442 4.2501 4.2501 4.6558 4.6558 5.4231 5.4231 6.1829 6.1829 9.1716 9.1716 9.5082 9.5082 9.9446 9.9446 10.4976 10.4976 11.4650 11.4650 k = 0.4203 0.4267-0.0000 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2230 -17.2230 -17.2222 -17.2222 -4.4367 -4.4367 -4.3806 -4.3806 0.8746 0.8746 1.0393 1.0393 1.5290 1.5290 1.8538 1.8538 1.9561 1.9561 2.1804 2.1804 2.7300 2.7300 2.8999 2.8999 3.0830 3.0830 3.2828 3.2828 3.6387 3.6387 3.8376 3.8376 4.1581 4.1581 4.5718 4.5718 5.4511 5.4511 6.1770 6.1770 9.2256 9.2256 9.6489 9.6489 10.0738 10.0738 10.4736 10.4736 11.3422 11.3422 k = 0.4130 0.4393-0.0000 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2231 -17.2231 -17.2223 -17.2223 -4.4301 -4.4301 -4.3760 -4.3760 0.8771 0.8771 1.0424 1.0424 1.5299 1.5299 1.8837 1.8837 1.9577 1.9577 2.1988 2.1988 2.7150 2.7150 2.8907 2.8907 3.0801 3.0801 3.2947 3.2947 3.6344 3.6344 3.8296 3.8296 4.0698 4.0698 4.4872 4.4872 5.4811 5.4811 6.1696 6.1696 9.2786 9.2786 9.7938 9.7938 10.2033 10.2033 10.4513 10.4513 11.2250 11.2250 k = 0.4058 0.4518-0.0000 ( 9590 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2231 -17.2231 -17.2223 -17.2223 -4.4234 -4.4234 -4.3714 -4.3714 0.8794 0.8794 1.0464 1.0464 1.5305 1.5305 1.9069 1.9069 1.9671 1.9671 2.2176 2.2176 2.7000 2.7000 2.8807 2.8807 3.0768 3.0768 3.3068 3.3068 3.6298 3.6298 3.8184 3.8184 3.9883 3.9883 4.4032 4.4032 5.5126 5.5126 6.1606 6.1606 9.3326 9.3326 9.9345 9.9345 10.3278 10.3278 10.4376 10.4376 11.1140 11.1140 k = 0.3986 0.4644-0.0000 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2231 -17.2231 -17.2223 -17.2223 -4.4166 -4.4166 -4.3669 -4.3669 0.8816 0.8816 1.0513 1.0513 1.5308 1.5308 1.9184 1.9184 1.9890 1.9890 2.2368 2.2368 2.6854 2.6854 2.8699 2.8699 3.0729 3.0729 3.3192 3.3192 3.6250 3.6250 3.7993 3.7993 3.9201 3.9201 4.3210 4.3210 5.5457 5.5457 6.1499 6.1499 9.3884 9.3884 10.0577 10.0577 10.4063 10.4063 10.4811 10.4811 11.0096 11.0096 k = 0.3913 0.4769-0.0000 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2231 -17.2231 -17.2223 -17.2223 -4.4099 -4.4099 -4.3625 -4.3625 0.8836 0.8836 1.0569 1.0569 1.5305 1.5305 1.9220 1.9220 2.0191 2.0191 2.2560 2.2560 2.6714 2.6714 2.8581 2.8581 3.0680 3.0680 3.3319 3.3319 3.6200 3.6200 3.7638 3.7638 3.8750 3.8750 4.2417 4.2417 5.5798 5.5798 6.1373 6.1373 9.4465 9.4465 10.1400 10.1400 10.4427 10.4427 10.5948 10.5948 10.9131 10.9131 k = 0.3841 0.4895-0.0000 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2223 -17.2223 -4.4034 -4.4034 -4.3585 -4.3585 0.8854 0.8854 1.0631 1.0631 1.5297 1.5297 1.9225 1.9225 2.0518 2.0518 2.2752 2.2752 2.6581 2.6581 2.8453 2.8453 3.0619 3.0619 3.3453 3.3453 3.6147 3.6147 3.7140 3.7140 3.8525 3.8525 4.1664 4.1664 5.6148 5.6148 6.1227 6.1227 9.5067 9.5067 10.1662 10.1662 10.5128 10.5128 10.7068 10.7068 10.8305 10.8305 k = 0.3768 0.5020-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2224 -17.2224 -4.3972 -4.3972 -4.3548 -4.3548 0.8871 0.8871 1.0696 1.0696 1.5282 1.5282 1.9221 1.9221 2.0844 2.0844 2.2942 2.2942 2.6458 2.6458 2.8315 2.8315 3.0543 3.0543 3.3595 3.3595 3.6089 3.6089 3.6627 3.6627 3.8409 3.8409 4.0965 4.0965 5.6502 5.6502 6.1062 6.1062 9.5687 9.5687 10.1551 10.1551 10.5960 10.5960 10.7288 10.7288 10.8461 10.8461 k = 0.3696 0.5146-0.0000 ( 9571 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2224 -17.2224 -4.3915 -4.3915 -4.3516 -4.3516 0.8886 0.8886 1.0762 1.0762 1.5262 1.5262 1.9213 1.9213 2.1150 2.1150 2.3125 2.3125 2.6346 2.6346 2.8169 2.8169 3.0455 3.0455 3.3747 3.3747 3.6018 3.6018 3.6177 3.6177 3.8336 3.8336 4.0333 4.0333 5.6856 5.6856 6.0878 6.0878 9.6321 9.6321 10.1277 10.1277 10.6263 10.6263 10.7143 10.7143 10.9465 10.9465 k = 0.3623 0.5271-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2224 -17.2224 -4.3864 -4.3864 -4.3489 -4.3489 0.8899 0.8899 1.0825 1.0825 1.5239 1.5239 1.9206 1.9206 2.1424 2.1424 2.3299 2.3299 2.6249 2.6249 2.8020 2.8020 3.0360 3.0360 3.3912 3.3912 3.5771 3.5771 3.5974 3.5974 3.8285 3.8285 3.9785 3.9785 5.7201 5.7201 6.0680 6.0680 9.6958 9.6958 10.0930 10.0930 10.5749 10.5749 10.7700 10.7700 11.0398 11.0398 k = 0.3551 0.5397-0.0000 ( 9579 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2322 -17.2322 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3821 -4.3821 -4.3467 -4.3467 0.8910 0.8910 1.0881 1.0881 1.5215 1.5215 1.9200 1.9200 2.1651 2.1651 2.3456 2.3456 2.6168 2.6168 2.7876 2.7876 3.0268 3.0268 3.4088 3.4088 3.5467 3.5467 3.5900 3.5900 3.8247 3.8247 3.9337 3.9337 5.7526 5.7526 6.0475 6.0475 9.7584 9.7584 10.0551 10.0551 10.5217 10.5217 10.8197 10.8197 11.1160 11.1160 k = 0.3478 0.5522-0.0000 ( 9577 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3787 -4.3787 -4.3452 -4.3452 0.8918 0.8918 1.0927 1.0927 1.5193 1.5193 1.9195 1.9195 2.1821 2.1821 2.3584 2.3584 2.6106 2.6106 2.7754 2.7754 3.0190 3.0190 3.4267 3.4267 3.5222 3.5222 3.5833 3.5833 3.8218 3.8218 3.9008 3.9008 5.7809 5.7809 6.0281 6.0281 9.8172 9.8172 10.0167 10.0167 10.4787 10.4787 10.8541 10.8541 11.1703 11.1703 k = 0.3406 0.5648-0.0000 ( 9577 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3766 -4.3766 -4.3443 -4.3443 0.8923 0.8923 1.0957 1.0957 1.5177 1.5177 1.9192 1.9192 2.1925 2.1925 2.3670 2.3670 2.6067 2.6067 2.7670 2.7670 3.0138 3.0138 3.4432 3.4432 3.5033 3.5033 3.5784 3.5784 3.8199 3.8199 3.8809 3.8809 5.8017 5.8017 6.0130 6.0130 9.8665 9.8665 9.9817 9.9817 10.4501 10.4501 10.8735 10.8735 11.2016 11.2016 k = 0.3333 0.5774-0.0000 ( 9573 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3758 -4.3758 -4.3440 -4.3440 0.8925 0.8925 1.0967 1.0967 1.5171 1.5171 1.9191 1.9191 2.1960 2.1960 2.3700 2.3700 2.6054 2.6054 2.7640 2.7640 3.0119 3.0119 3.4515 3.4515 3.4944 3.4944 3.5766 3.5766 3.8191 3.8191 3.8743 3.8743 5.8097 5.8097 6.0069 6.0069 9.8896 9.8896 9.9640 9.9640 10.4398 10.4398 10.8795 10.8795 11.2114 11.2114 k = 0.3333 0.5774-0.0000 ( 9573 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3758 -4.3758 -4.3440 -4.3440 0.8925 0.8925 1.0967 1.0967 1.5171 1.5171 1.9191 1.9191 2.1960 2.1960 2.3700 2.3700 2.6054 2.6054 2.7640 2.7640 3.0119 3.0119 3.4515 3.4515 3.4944 3.4944 3.5766 3.5766 3.8191 3.8191 3.8743 3.8743 5.8097 5.8097 6.0069 6.0069 9.8896 9.8896 9.9640 9.9640 10.4398 10.4398 10.8795 10.8795 11.2114 11.2114 k = 0.3261 0.5648-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3767 -4.3767 -4.3443 -4.3443 0.8923 0.8923 1.0956 1.0956 1.5178 1.5178 1.9192 1.9192 2.1926 2.1926 2.3671 2.3671 2.6067 2.6067 2.7670 2.7670 3.0139 3.0139 3.4434 3.4434 3.5032 3.5032 3.5784 3.5784 3.8199 3.8199 3.8807 3.8807 5.8012 5.8012 6.0133 6.0133 9.8711 9.8711 9.9765 9.9765 10.4508 10.4508 10.8742 10.8742 11.2028 11.2028 k = 0.3188 0.5522-0.0000 ( 9579 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3791 -4.3791 -4.3453 -4.3453 0.8917 0.8917 1.0920 1.0920 1.5200 1.5200 1.9195 1.9195 2.1825 2.1825 2.3588 2.3588 2.6105 2.6105 2.7756 2.7756 3.0198 3.0198 3.4282 3.4282 3.5215 3.5215 3.5832 3.5832 3.8221 3.8221 3.8999 3.8999 5.7778 5.7778 6.0304 6.0304 9.8381 9.8381 9.9920 9.9920 10.4835 10.4835 10.8596 10.8596 11.1793 11.1793 k = 0.3116 0.5397-0.0000 ( 9573 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2322 -17.2322 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3834 -4.3834 -4.3470 -4.3470 0.8906 0.8906 1.0859 1.0859 1.5239 1.5239 1.9199 1.9199 2.1665 2.1665 2.3467 2.3467 2.6162 2.6162 2.7885 2.7885 3.0294 3.0294 3.4132 3.4132 3.5441 3.5441 3.5898 3.5898 3.8257 3.8257 3.9310 3.9310 5.7438 5.7438 6.0536 6.0536 9.8036 9.8036 10.0006 10.0006 10.5343 10.5343 10.8382 10.8382 11.1444 11.1444 k = 0.3043 0.5271-0.0000 ( 9577 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2224 -17.2224 -4.3894 -4.3894 -4.3497 -4.3497 0.8890 0.8890 1.0775 1.0775 1.5293 1.5293 1.9206 1.9206 2.1455 2.1455 2.3323 2.3323 2.6235 2.6235 2.8043 2.8043 3.0424 3.0424 3.4010 3.4010 3.5702 3.5702 3.5977 3.5977 3.8308 3.8308 3.9730 3.9730 5.7025 5.7025 6.0793 6.0793 9.7707 9.7707 10.0042 10.0042 10.5958 10.5958 10.8141 10.8141 11.1006 11.1006 k = 0.2971 0.5146-0.0000 ( 9565 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2223 -17.2223 -4.3973 -4.3973 -4.3533 -4.3533 0.8870 0.8870 1.0670 1.0670 1.5360 1.5360 1.9214 1.9214 2.1208 2.1208 2.3163 2.3163 2.6321 2.6321 2.8218 2.8218 3.0581 3.0581 3.3927 3.3927 3.5962 3.5962 3.6105 3.6105 3.8379 3.8379 4.0245 4.0245 5.6560 5.6560 6.1051 6.1051 9.7405 9.7405 10.0062 10.0062 10.6537 10.6537 10.7986 10.7986 11.0502 11.0502 k = 0.2899 0.5020-0.0000 ( 9571 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2232 -17.2232 -17.2223 -17.2223 -4.4069 -4.4069 -4.3581 -4.3581 0.8845 0.8845 1.0548 1.0548 1.5438 1.5438 1.9225 1.9225 2.0933 2.0933 2.2996 2.2996 2.6418 2.6418 2.8401 2.8401 3.0761 3.0761 3.3890 3.3890 3.6086 3.6086 3.6411 3.6411 3.8483 3.8483 4.0841 4.0841 5.6055 5.6055 6.1298 6.1298 9.7138 9.7138 10.0090 10.0090 10.6722 10.6722 10.8251 10.8251 10.9949 10.9949 k = 0.2826 0.4895-0.0000 ( 9571 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2231 -17.2231 -17.2223 -17.2223 -4.4182 -4.4182 -4.3640 -4.3640 0.8816 0.8816 1.0413 1.0413 1.5522 1.5522 1.9237 1.9237 2.0643 2.0643 2.2822 2.2822 2.6525 2.6525 2.8587 2.8587 3.0959 3.0959 3.3900 3.3900 3.6170 3.6170 3.6789 3.6789 3.8638 3.8638 4.1506 4.1506 5.5517 5.5517 6.1524 6.1524 9.6913 9.6913 10.0141 10.0141 10.6466 10.6466 10.8944 10.8944 10.9384 10.9384 k = 0.2754 0.4769-0.0000 ( 9575 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2231 -17.2231 -17.2223 -17.2223 -4.4311 -4.4311 -4.3712 -4.3712 0.8783 0.8783 1.0270 1.0270 1.5608 1.5608 1.9252 1.9252 2.0344 2.0344 2.2644 2.2644 2.6642 2.6642 2.8775 2.8775 3.1175 3.1175 3.3957 3.3957 3.6254 3.6254 3.7169 3.7169 3.8876 3.8876 4.2233 4.2233 5.4953 5.4953 6.1722 6.1722 9.6735 9.6735 10.0223 10.0223 10.6051 10.6051 10.8700 10.8700 10.9891 10.9891 k = 0.2681 0.4644-0.0000 ( 9575 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4046 -17.4046 -17.2322 -17.2322 -17.2289 -17.2289 -17.2230 -17.2230 -17.2222 -17.2222 -4.4458 -4.4458 -4.3798 -4.3798 0.8746 0.8746 1.0122 1.0122 1.5693 1.5693 1.9268 1.9268 2.0043 2.0043 2.2464 2.2464 2.6769 2.6769 2.8960 2.8960 3.1411 3.1411 3.4059 3.4059 3.6347 3.6347 3.7506 3.7506 3.9239 3.9239 4.3012 4.3012 5.4365 5.4365 6.1888 6.1888 9.6607 9.6607 10.0340 10.0340 10.5574 10.5574 10.8054 10.8054 11.0832 11.0832 k = 0.2609 0.4518-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2289 -17.2289 -17.2230 -17.2230 -17.2222 -17.2222 -4.4620 -4.4620 -4.3896 -4.3896 0.8708 0.8708 0.9974 0.9974 1.5771 1.5771 1.9282 1.9282 1.9749 1.9749 2.2283 2.2283 2.6904 2.6904 2.9141 2.9141 3.1667 3.1667 3.4204 3.4204 3.6455 3.6455 3.7773 3.7773 3.9750 3.9750 4.3838 4.3838 5.3758 5.3758 6.2017 6.2017 9.6534 9.6534 10.0489 10.0489 10.5066 10.5066 10.7380 10.7380 11.1792 11.1792 k = 0.2536 0.4393-0.0000 ( 9573 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2289 -17.2289 -17.2230 -17.2230 -17.2221 -17.2221 -4.4797 -4.4797 -4.4008 -4.4008 0.8668 0.8668 0.9828 0.9828 1.5840 1.5840 1.9265 1.9265 1.9493 1.9493 2.2105 2.2105 2.7046 2.7046 2.9315 2.9315 3.1945 3.1945 3.4388 3.4388 3.6585 3.6585 3.7981 3.7981 4.0393 4.0393 4.4705 4.4705 5.3135 5.3135 6.2106 6.2106 9.6518 9.6518 10.0663 10.0663 10.4542 10.4542 10.6691 10.6691 11.2717 11.2717 k = 0.2464 0.4267-0.0000 ( 9569 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2289 -17.2289 -17.2229 -17.2229 -17.2221 -17.2221 -4.4989 -4.4989 -4.4133 -4.4133 0.8628 0.8628 0.9688 0.9688 1.5897 1.5897 1.9085 1.9085 1.9408 1.9408 2.1932 2.1932 2.7195 2.7195 2.9480 2.9480 3.2245 3.2245 3.4607 3.4607 3.6748 3.6748 3.8156 3.8156 4.1141 4.1141 4.5609 4.5609 5.2501 5.2501 6.2153 6.2153 9.6559 9.6559 10.0848 10.0848 10.4014 10.4014 10.5996 10.5996 11.3484 11.3484 k = 0.2391 0.4142-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2289 -17.2289 -17.2228 -17.2228 -17.2220 -17.2220 -4.5194 -4.5194 -4.4271 -4.4271 0.8589 0.8589 0.9555 0.9555 1.5940 1.5940 1.8813 1.8813 1.9425 1.9425 2.1765 2.1765 2.7348 2.7348 2.9635 2.9635 3.2562 3.2562 3.4852 3.4852 3.6955 3.6955 3.8323 3.8323 4.1967 4.1967 4.6544 4.6544 5.1860 5.1860 6.2157 6.2157 9.6655 9.6655 10.1012 10.1012 10.3497 10.3497 10.5317 10.5317 11.3770 11.3770 k = 0.2319 0.4016-0.0000 ( 9551 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4044 -17.4044 -17.2321 -17.2321 -17.2288 -17.2288 -17.2227 -17.2227 -17.2219 -17.2219 -4.5412 -4.5412 -4.4421 -4.4421 0.8552 0.8552 0.9431 0.9431 1.5966 1.5966 1.8533 1.8533 1.9462 1.9462 2.1609 2.1609 2.7505 2.7505 2.9777 2.9777 3.2891 3.2891 3.5114 3.5114 3.7216 3.7216 3.8502 3.8502 4.2856 4.2856 4.7503 4.7503 5.1219 5.1219 6.2117 6.2117 9.6802 9.6802 10.1097 10.1097 10.3001 10.3001 10.4711 10.4711 11.3451 11.3451 k = 0.2246 0.3891-0.0000 ( 9563 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4044 -17.4044 -17.2322 -17.2322 -17.2288 -17.2288 -17.2227 -17.2227 -17.2219 -17.2219 -4.5642 -4.5642 -4.4582 -4.4582 0.8518 0.8518 0.9317 0.9317 1.5975 1.5975 1.8255 1.8255 1.9507 1.9507 2.1465 2.1465 2.7663 2.7663 2.9907 2.9907 3.3221 3.3221 3.5386 3.5386 3.7536 3.7536 3.8713 3.8713 4.3795 4.3795 4.8462 4.8462 5.0602 5.0602 6.2035 6.2035 9.6988 9.6988 10.1031 10.1031 10.2497 10.2497 10.4291 10.4291 11.2892 11.2892 k = 0.2174 0.3765-0.0000 ( 9569 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4044 -17.4044 -17.2322 -17.2322 -17.2288 -17.2288 -17.2226 -17.2226 -17.2218 -17.2218 -4.5882 -4.5882 -4.4754 -4.4754 0.8487 0.8487 0.9214 0.9214 1.5966 1.5966 1.7982 1.7982 1.9559 1.9559 2.1335 2.1335 2.7821 2.7821 3.0026 3.0026 3.3541 3.3541 3.5662 3.5662 3.7910 3.7910 3.8984 3.8984 4.4775 4.4775 4.9248 4.9248 5.0182 5.0182 6.1910 6.1910 9.7187 9.7187 10.0790 10.0790 10.1909 10.1909 10.4181 10.4181 11.2299 11.2299 k = 0.2101 0.3640-0.0000 ( 9569 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4044 -17.4044 -17.2322 -17.2322 -17.2289 -17.2289 -17.2226 -17.2226 -17.2217 -17.2217 -4.6132 -4.6132 -4.4936 -4.4936 0.8460 0.8460 0.9120 0.9120 1.5940 1.5940 1.7716 1.7716 1.9617 1.9617 2.1220 2.1220 2.7977 2.7977 3.0134 3.0134 3.3834 3.3834 3.5940 3.5940 3.8319 3.8319 3.9351 3.9351 4.5784 4.5784 4.9063 4.9063 5.0765 5.0765 6.1748 6.1748 9.7351 9.7351 10.0443 10.0443 10.1241 10.1241 10.4359 10.4359 11.1734 11.1734 k = 0.2029 0.3514-0.0000 ( 9559 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4043 -17.4043 -17.2321 -17.2321 -17.2288 -17.2288 -17.2225 -17.2225 -17.2216 -17.2216 -4.6389 -4.6389 -4.5128 -4.5128 0.8438 0.8438 0.9037 0.9037 1.5897 1.5897 1.7457 1.7457 1.9680 1.9680 2.1122 2.1122 2.8131 2.8131 3.0234 3.0234 3.4090 3.4090 3.6219 3.6219 3.8749 3.8749 3.9839 3.9839 4.6790 4.6790 4.8516 4.8516 5.1765 5.1765 6.1550 6.1550 9.7391 9.7391 9.9985 9.9985 10.0688 10.0688 10.4721 10.4721 11.1217 11.1217 k = 0.1957 0.3389-0.0000 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4043 -17.4043 -17.2322 -17.2322 -17.2288 -17.2288 -17.2224 -17.2224 -17.2216 -17.2216 -4.6653 -4.6653 -4.5326 -4.5326 0.8421 0.8421 0.8964 0.8964 1.5839 1.5839 1.7206 1.7206 1.9749 1.9749 2.1042 2.1042 2.8279 2.8279 3.0329 3.0329 3.4301 3.4301 3.6487 3.6487 3.9212 3.9212 4.0451 4.0451 4.7443 4.7443 4.8314 4.8314 5.2820 5.2820 6.1323 6.1323 9.7208 9.7208 9.9276 9.9276 10.0562 10.0562 10.5192 10.5192 11.0757 11.0757 k = 0.1884 0.3263-0.0000 ( 9573 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4058 -17.4058 -17.4042 -17.4042 -17.2321 -17.2321 -17.2288 -17.2288 -17.2224 -17.2224 -17.2215 -17.2215 -4.6922 -4.6922 -4.5532 -4.5532 0.8408 0.8408 0.8899 0.8899 1.5768 1.5768 1.6964 1.6964 1.9824 1.9824 2.0978 2.0978 2.8422 2.8422 3.0420 3.0420 3.4469 3.4469 3.6729 3.6729 3.9738 3.9738 4.1163 4.1163 4.7043 4.7043 4.9192 4.9192 5.3891 5.3891 6.1074 6.1074 9.6781 9.6781 9.8440 9.8440 10.0796 10.0796 10.5731 10.5731 11.0360 11.0360 k = 0.1812 0.3138-0.0000 ( 9553 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4057 -17.4057 -17.4042 -17.4042 -17.2321 -17.2321 -17.2287 -17.2287 -17.2222 -17.2222 -17.2214 -17.2214 -4.7195 -4.7195 -4.5743 -4.5743 0.8400 0.8400 0.8842 0.8842 1.5687 1.5687 1.6732 1.6732 1.9903 1.9903 2.0930 2.0930 2.8558 2.8558 3.0511 3.0511 3.4598 3.4598 3.6935 3.6935 4.0348 4.0348 4.1948 4.1948 4.6458 4.6458 5.0290 5.0290 5.4958 5.4958 6.0818 6.0818 9.6170 9.6170 9.7573 9.7573 10.1255 10.1255 10.6309 10.6309 11.0035 11.0035 k = 0.1739 0.3012-0.0000 ( 9543 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4056 -17.4056 -17.4041 -17.4041 -17.2321 -17.2321 -17.2287 -17.2287 -17.2221 -17.2221 -17.2213 -17.2213 -4.7470 -4.7470 -4.5958 -4.5958 0.8395 0.8395 0.8792 0.8792 1.5597 1.5597 1.6510 1.6510 1.9986 1.9986 2.0898 2.0898 2.8686 2.8686 3.0604 3.0604 3.4698 3.4698 3.7100 3.7100 4.1048 4.1048 4.2773 4.2773 4.5886 4.5886 5.1432 5.1432 5.5994 5.5994 6.0579 6.0579 9.5436 9.5436 9.6705 9.6705 10.1857 10.1857 10.6894 10.6894 10.9802 10.9802 k = 0.1667 0.2887-0.0000 ( 9549 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4056 -17.4056 -17.4041 -17.4041 -17.2321 -17.2321 -17.2287 -17.2287 -17.2220 -17.2220 -17.2212 -17.2212 -4.7746 -4.7746 -4.6176 -4.6176 0.8394 0.8394 0.8747 0.8747 1.5502 1.5502 1.6301 1.6301 2.0074 2.0074 2.0881 2.0881 2.8805 2.8805 3.0701 3.0701 3.4773 3.4773 3.7226 3.7226 4.1834 4.1834 4.3557 4.3557 4.5418 4.5418 5.2596 5.2596 5.6945 5.6945 6.0413 6.0413 9.4617 9.4617 9.5845 9.5845 10.2559 10.2559 10.7433 10.7433 10.9704 10.9704 k = 0.1594 0.2761-0.0000 ( 9557 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4056 -17.4056 -17.4040 -17.4040 -17.2321 -17.2321 -17.2287 -17.2287 -17.2220 -17.2220 -17.2212 -17.2212 -4.8022 -4.8022 -4.6395 -4.6395 0.8395 0.8395 0.8707 0.8707 1.5404 1.5404 1.6104 1.6104 2.0164 2.0164 2.0879 2.0879 2.8915 2.8915 3.0805 3.0805 3.4830 3.4830 3.7318 3.7318 4.2692 4.2692 4.3951 4.3951 4.5410 4.5410 5.3774 5.3774 5.7679 5.7679 6.0451 6.0451 9.3742 9.3742 9.4993 9.4993 10.3334 10.3334 10.7839 10.7839 10.9825 10.9825 k = 0.1522 0.2636-0.0000 ( 9569 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4056 -17.4056 -17.4040 -17.4040 -17.2321 -17.2321 -17.2287 -17.2287 -17.2219 -17.2219 -17.2211 -17.2211 -4.8295 -4.8295 -4.6615 -4.6615 0.8397 0.8397 0.8670 0.8670 1.5306 1.5306 1.5921 1.5921 2.0257 2.0257 2.0890 2.0890 2.9014 2.9014 3.0916 3.0916 3.4874 3.4874 3.7380 3.7380 4.3464 4.3464 4.3834 4.3834 4.6127 4.6127 5.4959 5.4959 5.8016 5.8016 6.0877 6.0877 9.2831 9.2831 9.4144 9.4144 10.4166 10.4166 10.8049 10.8049 11.0225 11.0225 k = 0.1449 0.2510-0.0000 ( 9565 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4055 -17.4055 -17.4039 -17.4039 -17.2321 -17.2321 -17.2286 -17.2286 -17.2218 -17.2218 -17.2210 -17.2210 -4.8566 -4.8566 -4.6834 -4.6834 0.8400 0.8400 0.8635 0.8635 1.5210 1.5210 1.5752 1.5752 2.0348 2.0348 2.0915 2.0915 2.9103 2.9103 3.1035 3.1035 3.4908 3.4908 3.7414 3.7414 4.3133 4.3133 4.4680 4.4680 4.7105 4.7105 5.6139 5.6139 5.7985 5.7985 6.1670 6.1670 9.1898 9.1898 9.3294 9.3294 10.5034 10.5034 10.8129 10.8129 11.0843 11.0843 k = 0.1377 0.2385-0.0000 ( 9563 PWs) bands (ev): -45.3636 -45.3636 -45.3634 -45.3634 -17.4055 -17.4055 -17.4039 -17.4039 -17.2321 -17.2321 -17.2286 -17.2286 -17.2217 -17.2217 -17.2209 -17.2209 -4.8832 -4.8832 -4.7051 -4.7051 0.8402 0.8402 0.8602 0.8602 1.5118 1.5118 1.5599 1.5599 2.0436 2.0436 2.0956 2.0956 2.9182 2.9182 3.1163 3.1163 3.4933 3.4933 3.7422 3.7422 4.2630 4.2630 4.5724 4.5724 4.8167 4.8167 5.7215 5.7215 5.7862 5.7862 6.2646 6.2646 9.0954 9.0954 9.2437 9.2437 10.5909 10.5909 10.8191 10.8191 11.1581 11.1581 k = 0.1304 0.2259-0.0000 ( 9555 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4055 -17.4055 -17.4038 -17.4038 -17.2321 -17.2321 -17.2286 -17.2286 -17.2216 -17.2216 -17.2209 -17.2209 -4.9092 -4.9092 -4.7264 -4.7264 0.8403 0.8403 0.8570 0.8570 1.5031 1.5031 1.5461 1.5461 2.0518 2.0518 2.1014 2.1014 2.9252 2.9252 3.1300 3.1300 3.4953 3.4953 3.7403 3.7403 4.2132 4.2132 4.6826 4.6826 4.9274 4.9274 5.7300 5.7300 5.8642 5.8642 6.3693 6.3693 9.0007 9.0007 9.1571 9.1571 10.6716 10.6716 10.8355 10.8355 11.2386 11.2386 k = 0.1232 0.2134-0.0000 ( 9549 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4055 -17.4055 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2214 -17.2214 -17.2208 -17.2208 -4.9344 -4.9344 -4.7473 -4.7473 0.8401 0.8401 0.8537 0.8537 1.4951 1.4951 1.5340 1.5340 2.0591 2.0591 2.1089 2.1089 2.9314 2.9314 3.1443 3.1443 3.4968 3.4968 3.7354 3.7354 4.1660 4.1660 4.7973 4.7973 5.0410 5.0410 5.6969 5.6969 5.9797 5.9797 6.4762 6.4762 8.9060 8.9060 9.0695 9.0695 10.7289 10.7289 10.8802 10.8802 11.3226 11.3226 k = 0.1159 0.2008-0.0000 ( 9561 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4055 -17.4055 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2214 -17.2214 -17.2208 -17.2208 -4.9589 -4.9589 -4.7676 -4.7676 0.8395 0.8395 0.8504 0.8504 1.4878 1.4878 1.5234 1.5234 2.0654 2.0654 2.1181 2.1181 2.9368 2.9368 3.1592 3.1592 3.4981 3.4981 3.7272 3.7272 4.1225 4.1225 4.9161 4.9161 5.1562 5.1562 5.6606 5.6606 6.0963 6.0963 6.5831 6.5831 8.8117 8.8117 8.9805 8.9805 10.7573 10.7573 10.9589 10.9589 11.4075 11.4075 k = 0.1087 0.1883-0.0000 ( 9555 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4037 -17.4037 -17.2321 -17.2321 -17.2285 -17.2285 -17.2213 -17.2213 -17.2206 -17.2206 -4.9825 -4.9825 -4.7872 -4.7872 0.8386 0.8386 0.8472 0.8472 1.4813 1.4813 1.5145 1.5145 2.0709 2.0709 2.1288 2.1288 2.9416 2.9416 3.1746 3.1746 3.4991 3.4991 3.7153 3.7153 4.0835 4.0835 5.0384 5.0384 5.2709 5.2709 5.6257 5.6257 6.2116 6.2116 6.6884 6.6884 8.7179 8.7179 8.8902 8.8902 10.7734 10.7734 11.0547 11.0547 11.4821 11.4821 k = 0.1014 0.1757-0.0000 ( 9555 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2212 -17.2212 -17.2206 -17.2206 -5.0050 -5.0050 -4.8061 -4.8061 0.8371 0.8371 0.8440 0.8440 1.4757 1.4757 1.5071 1.5071 2.0755 2.0755 2.1405 2.1405 2.9460 2.9460 3.1903 3.1903 3.4999 3.4999 3.6996 3.6996 4.0497 4.0497 5.1637 5.1637 5.3792 5.3792 5.5990 5.5990 6.3246 6.3246 6.7910 6.7910 8.6245 8.6245 8.7984 8.7984 10.7874 10.7874 11.1559 11.1559 11.5007 11.5007 k = 0.0942 0.1632-0.0000 ( 9575 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4054 -17.4054 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2212 -17.2212 -17.2205 -17.2205 -5.0263 -5.0263 -4.8241 -4.8241 0.8350 0.8350 0.8410 0.8410 1.4710 1.4710 1.5011 1.5011 2.0796 2.0796 2.1530 2.1530 2.9499 2.9499 3.2060 3.2060 3.5008 3.5008 3.6800 3.6800 4.0213 4.0213 5.2909 5.2909 5.4550 5.4550 5.6073 5.6073 6.4346 6.4346 6.8901 6.8901 8.5316 8.5316 8.7051 8.7051 10.8031 10.8031 11.2563 11.2563 11.5008 11.5008 k = 0.0870 0.1506-0.0000 ( 9579 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2211 -17.2211 -17.2204 -17.2204 -5.0465 -5.0465 -4.8411 -4.8411 0.8323 0.8323 0.8383 0.8383 1.4670 1.4670 1.4964 1.4964 2.0833 2.0833 2.1660 2.1660 2.9536 2.9536 3.2216 3.2216 3.5016 3.5016 3.6569 3.6569 3.9983 3.9983 5.4113 5.4113 5.4710 5.4710 5.6867 5.6867 6.5409 6.5409 6.9847 6.9847 8.4390 8.4390 8.6101 8.6101 10.8216 10.8216 11.3493 11.3493 11.5017 11.5017 k = 0.0797 0.1381-0.0000 ( 9573 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4036 -17.4036 -17.2321 -17.2321 -17.2285 -17.2285 -17.2210 -17.2210 -17.2204 -17.2204 -5.0653 -5.0653 -4.8571 -4.8571 0.8291 0.8291 0.8358 0.8358 1.4639 1.4639 1.4929 1.4929 2.0866 2.0866 2.1792 2.1792 2.9570 2.9570 3.2369 3.2369 3.5024 3.5024 3.6311 3.6311 3.9800 3.9800 5.4262 5.4262 5.5644 5.5644 5.7979 5.7979 6.6426 6.6426 7.0740 7.0740 8.3464 8.3464 8.5137 8.5137 10.8436 10.8436 11.4236 11.4236 11.5044 11.5044 k = 0.0725 0.1255-0.0000 ( 9579 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2210 -17.2210 -17.2203 -17.2203 -5.0828 -5.0828 -4.8719 -4.8719 0.8256 0.8256 0.8333 0.8333 1.4614 1.4614 1.4904 1.4904 2.0895 2.0895 2.1924 2.1924 2.9602 2.9602 3.2516 3.2516 3.5033 3.5033 3.6036 3.6036 3.9659 3.9659 5.3980 5.3980 5.6969 5.6969 5.9165 5.9165 6.7389 6.7389 7.1572 7.1572 8.2535 8.2535 8.4159 8.4159 10.8691 10.8691 11.4647 11.4647 11.5077 11.5077 k = 0.0652 0.1130-0.0000 ( 9589 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2209 -17.2209 -17.2203 -17.2203 -5.0988 -5.0988 -4.8855 -4.8855 0.8221 0.8221 0.8309 0.8309 1.4596 1.4596 1.4888 1.4888 2.0921 2.0921 2.2053 2.2053 2.9633 2.9633 3.2656 3.2656 3.5042 3.5042 3.5754 3.5754 3.9550 3.9550 5.3676 5.3676 5.8327 5.8327 6.0367 6.0367 6.8292 6.8292 7.2334 7.2334 8.1598 8.1598 8.3173 8.3173 10.8977 10.8977 11.4710 11.4710 11.5102 11.5102 k = 0.0580 0.1004-0.0000 ( 9591 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2209 -17.2209 -17.2202 -17.2202 -5.1133 -5.1133 -4.8979 -4.8979 0.8186 0.8186 0.8285 0.8285 1.4583 1.4583 1.4878 1.4878 2.0945 2.0945 2.2177 2.2177 2.9663 2.9663 3.2786 3.2786 3.5050 3.5050 3.5477 3.5477 3.9468 3.9468 5.3382 5.3382 5.9700 5.9700 6.1565 6.1565 6.9125 6.9125 7.3019 7.3019 8.0648 8.0648 8.2187 8.2187 10.9285 10.9285 11.4553 11.4553 11.5101 11.5101 k = 0.0507 0.0879-0.0000 ( 9601 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2202 -17.2202 -5.1262 -5.1262 -4.9090 -4.9090 0.8154 0.8154 0.8262 0.8262 1.4575 1.4575 1.4874 1.4874 2.0966 2.0966 2.2294 2.2294 2.9692 2.9692 3.2905 3.2905 3.5048 3.5048 3.5222 3.5222 3.9405 3.9405 5.3108 5.3108 6.1078 6.1078 6.2744 6.2744 6.9879 6.9879 7.3617 7.3617 7.9677 7.9677 8.1213 8.1213 10.9599 10.9599 11.4290 11.4290 11.5068 11.5068 k = 0.0435 0.0753-0.0000 ( 9613 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2202 -17.2202 -5.1375 -5.1375 -4.9187 -4.9187 0.8124 0.8124 0.8240 0.8240 1.4570 1.4570 1.4874 1.4874 2.0984 2.0984 2.2401 2.2401 2.9720 2.9720 3.3011 3.3011 3.4928 3.4928 3.5106 3.5106 3.9357 3.9357 5.2862 5.2862 6.2455 6.2455 6.3891 6.3891 7.0544 7.0544 7.4119 7.4119 7.8680 7.8680 8.0273 8.0273 10.9894 10.9894 11.4014 11.4014 11.5008 11.5008 k = 0.0362 0.0628-0.0000 ( 9613 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2207 -17.2207 -17.2202 -17.2202 -5.1471 -5.1471 -4.9269 -4.9269 0.8097 0.8097 0.8221 0.8221 1.4568 1.4568 1.4876 1.4876 2.0999 2.0999 2.2496 2.2496 2.9745 2.9745 3.3102 3.3102 3.4718 3.4718 3.5106 3.5106 3.9321 3.9321 5.2646 5.2646 6.3824 6.3824 6.4991 6.4991 7.1110 7.1110 7.4511 7.4511 7.7658 7.7658 7.9392 7.9392 11.0136 11.0136 11.3805 11.3805 11.4932 11.4932 k = 0.0290 0.0502-0.0000 ( 9617 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2207 -17.2207 -17.2202 -17.2202 -5.1551 -5.1551 -4.9338 -4.9338 0.8074 0.8074 0.8204 0.8204 1.4567 1.4567 1.4880 1.4880 2.1011 2.1011 2.2578 2.2578 2.9768 2.9768 3.3178 3.3178 3.4530 3.4530 3.5115 3.5115 3.9295 3.9295 5.2466 5.2466 6.5171 6.5171 6.6019 6.6019 7.1559 7.1559 7.4769 7.4769 7.6626 7.6626 7.8610 7.8610 11.0295 11.0295 11.3722 11.3722 11.4851 11.4851 k = 0.0217 0.0377-0.0000 ( 9645 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2202 -17.2202 -5.1613 -5.1613 -4.9391 -4.9391 0.8056 0.8056 0.8190 0.8190 1.4568 1.4568 1.4884 1.4884 2.1021 2.1021 2.2644 2.2644 2.9787 2.9787 3.3238 3.3238 3.4376 3.4376 3.5125 3.5125 3.9276 3.9276 5.2323 5.2323 6.6478 6.6478 6.6943 6.6943 7.1864 7.1864 7.4853 7.4853 7.5642 7.5642 7.7980 7.7980 11.0365 11.0365 11.3775 11.3775 11.4766 11.4766 k = 0.0145 0.0251-0.0000 ( 9649 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4034 -17.4034 -17.2322 -17.2322 -17.2284 -17.2284 -17.2208 -17.2208 -17.2201 -17.2201 -5.1657 -5.1657 -4.9429 -4.9429 0.8043 0.8043 0.8179 0.8179 1.4568 1.4568 1.4887 1.4887 2.1028 2.1028 2.2692 2.2692 2.9802 2.9802 3.3281 3.3281 3.4263 3.4263 3.5133 3.5133 3.9263 3.9263 5.2219 5.2219 6.7663 6.7663 6.7748 6.7748 7.1963 7.1963 7.4553 7.4553 7.5006 7.5006 7.7550 7.7550 11.0373 11.0373 11.3926 11.3926 11.4676 11.4676 k = 0.0072 0.0126-0.0000 ( 9673 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2209 -17.2209 -17.2201 -17.2201 -5.1684 -5.1684 -4.9452 -4.9452 0.8035 0.8035 0.8173 0.8173 1.4569 1.4569 1.4889 1.4889 2.1032 2.1032 2.2722 2.2722 2.9811 2.9811 3.3307 3.3307 3.4194 3.4194 3.5138 3.5138 3.9256 3.9256 5.2156 5.2156 6.8215 6.8215 6.8754 6.8754 7.1785 7.1785 7.4025 7.4025 7.4818 7.4818 7.7324 7.7324 11.0358 11.0358 11.4105 11.4105 11.4578 11.4578 k = 0.0000 0.0000 0.0000 ( 9677 PWs) bands (ev): -45.3637 -45.3637 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2209 -17.2209 -17.2201 -17.2201 -5.1693 -5.1693 -4.9460 -4.9460 0.8032 0.8032 0.8171 0.8171 1.4569 1.4569 1.4890 1.4890 2.1033 2.1033 2.2731 2.2731 2.9814 2.9814 3.3315 3.3315 3.4171 3.4171 3.5140 3.5140 3.9253 3.9253 5.2135 5.2135 6.8404 6.8404 6.9241 6.9241 7.1576 7.1576 7.3842 7.3842 7.4747 7.4747 7.7258 7.7258 11.0349 11.0349 11.4202 11.4202 11.4516 11.4516 k = 0.0000 0.0000 0.0000 ( 9677 PWs) bands (ev): -45.3637 -45.3637 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2209 -17.2209 -17.2201 -17.2201 -5.1693 -5.1693 -4.9460 -4.9460 0.8032 0.8032 0.8171 0.8171 1.4569 1.4569 1.4890 1.4890 2.1033 2.1033 2.2731 2.2731 2.9814 2.9814 3.3315 3.3315 3.4171 3.4171 3.5140 3.5140 3.9253 3.9253 5.2135 5.2135 6.8404 6.8404 6.9241 6.9241 7.1576 7.1576 7.3842 7.3842 7.4747 7.4747 7.7258 7.7258 11.0349 11.0349 11.4202 11.4202 11.4516 11.4516 k = 0.0000 0.0000 0.0142 ( 9653 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4053 -17.4053 -17.4035 -17.4035 -17.2322 -17.2322 -17.2285 -17.2285 -17.2208 -17.2208 -17.2201 -17.2201 -5.1689 -5.1689 -4.9464 -4.9464 0.8032 0.8032 0.8171 0.8171 1.4570 1.4570 1.4889 1.4889 2.1034 2.1034 2.2723 2.2723 2.9832 2.9832 3.3317 3.3317 3.4170 3.4170 3.5134 3.5134 3.9267 3.9267 5.2097 5.2097 6.8430 6.8430 6.9247 6.9247 7.1580 7.1580 7.3848 7.3848 7.4741 7.4741 7.7252 7.7252 11.0341 11.0341 11.4102 11.4102 11.4519 11.4519 k = 0.0000 0.0000 0.0283 ( 9629 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4052 -17.4052 -17.4035 -17.4035 -17.2321 -17.2321 -17.2284 -17.2284 -17.2208 -17.2208 -17.2201 -17.2201 -5.1678 -5.1678 -4.9476 -4.9476 0.8033 0.8033 0.8170 0.8170 1.4571 1.4571 1.4888 1.4888 2.1037 2.1037 2.2697 2.2697 2.9884 2.9884 3.3321 3.3321 3.4165 3.4165 3.5116 3.5116 3.9309 3.9309 5.1984 5.1984 6.8508 6.8508 6.9267 6.9267 7.1594 7.1594 7.3865 7.3865 7.4723 7.4723 7.7234 7.7234 11.0315 11.0315 11.3828 11.3828 11.4529 11.4529 k = 0.0000 0.0000 0.0425 ( 9629 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4052 -17.4052 -17.4035 -17.4035 -17.2321 -17.2321 -17.2285 -17.2285 -17.2208 -17.2208 -17.2201 -17.2201 -5.1660 -5.1660 -4.9496 -4.9496 0.8034 0.8034 0.8169 0.8169 1.4574 1.4574 1.4885 1.4885 2.1041 2.1041 2.2656 2.2656 2.9970 2.9970 3.3328 3.3328 3.4158 3.4158 3.5087 3.5087 3.9378 3.9378 5.1801 5.1801 6.8633 6.8633 6.9301 6.9301 7.1617 7.1617 7.3893 7.3893 7.4693 7.4693 7.7205 7.7205 11.0264 11.0264 11.3441 11.3441 11.4546 11.4546 k = 0.0000 0.0000 0.0567 ( 9617 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4052 -17.4052 -17.4034 -17.4034 -17.2321 -17.2321 -17.2285 -17.2285 -17.2208 -17.2208 -17.2201 -17.2201 -5.1635 -5.1635 -4.9524 -4.9524 0.8036 0.8036 0.8167 0.8167 1.4577 1.4577 1.4880 1.4880 2.1047 2.1047 2.2602 2.2602 3.0087 3.0087 3.3338 3.3338 3.4148 3.4148 3.5046 3.5046 3.9475 3.9475 5.1551 5.1551 6.8798 6.8798 6.9347 6.9347 7.1649 7.1649 7.3933 7.3933 7.4651 7.4651 7.7164 7.7164 11.0177 11.0177 11.3015 11.3015 11.4571 11.4571 k = 0.0000 0.0000 0.0708 ( 9630 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4052 -17.4052 -17.4035 -17.4035 -17.2320 -17.2320 -17.2285 -17.2285 -17.2207 -17.2207 -17.2201 -17.2201 -5.1603 -5.1603 -4.9559 -4.9559 0.8037 0.8037 0.8165 0.8165 1.4582 1.4582 1.4875 1.4875 2.1055 2.1055 2.2535 2.2535 3.0231 3.0231 3.3351 3.3351 3.4135 3.4135 3.4994 3.4994 3.9601 3.9601 5.1243 5.1243 6.8995 6.8995 6.9405 6.9405 7.1690 7.1690 7.3983 7.3983 7.4597 7.4597 7.7112 7.7112 11.0039 11.0039 11.2620 11.2620 11.4603 11.4603 k = 0.0000 0.0000 0.0850 ( 9624 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4051 -17.4051 -17.4035 -17.4035 -17.2319 -17.2319 -17.2286 -17.2286 -17.2207 -17.2207 -17.2201 -17.2201 -5.1564 -5.1564 -4.9601 -4.9601 0.8040 0.8040 0.8162 0.8162 1.4587 1.4587 1.4869 1.4869 2.1065 2.1065 2.2459 2.2459 3.0398 3.0398 3.3367 3.3367 3.4119 3.4119 3.4931 3.4931 3.9755 3.9755 5.0882 5.0882 6.9215 6.9215 6.9475 6.9475 7.1740 7.1740 7.4044 7.4044 7.4533 7.4533 7.7049 7.7049 10.9842 10.9842 11.2306 11.2306 11.4645 11.4645 k = 0.0000 0.0000 0.0992 ( 9624 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4051 -17.4051 -17.4036 -17.4036 -17.2318 -17.2318 -17.2287 -17.2287 -17.2207 -17.2207 -17.2201 -17.2201 -5.1519 -5.1519 -4.9651 -4.9651 0.8043 0.8043 0.8159 0.8159 1.4593 1.4593 1.4861 1.4861 2.1077 2.1077 2.2377 2.2377 3.0585 3.0585 3.3385 3.3385 3.4101 3.4101 3.4857 3.4857 3.9938 3.9938 5.0477 5.0477 6.9447 6.9447 6.9557 6.9557 7.1798 7.1798 7.4115 7.4115 7.4457 7.4457 7.6976 7.6976 10.9595 10.9595 11.2095 11.2095 11.4695 11.4695 k = 0.0000 0.0000 0.1133 ( 9588 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4050 -17.4050 -17.4035 -17.4035 -17.2317 -17.2317 -17.2288 -17.2288 -17.2206 -17.2206 -17.2201 -17.2201 -5.1468 -5.1468 -4.9707 -4.9707 0.8046 0.8046 0.8155 0.8155 1.4600 1.4600 1.4853 1.4853 2.1091 2.1091 2.2290 2.2290 3.0788 3.0788 3.3405 3.3405 3.4080 3.4080 3.4772 3.4772 4.0151 4.0151 5.0036 5.0036 6.9649 6.9649 6.9682 6.9682 7.1864 7.1864 7.4195 7.4195 7.4372 7.4372 7.6893 7.6893 10.9328 10.9328 11.1980 11.1980 11.4756 11.4756 k = 0.0000 0.0000 0.1275 ( 9594 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4050 -17.4050 -17.4036 -17.4036 -17.2316 -17.2316 -17.2289 -17.2289 -17.2206 -17.2206 -17.2201 -17.2201 -5.1411 -5.1411 -4.9769 -4.9769 0.8049 0.8049 0.8151 0.8151 1.4608 1.4608 1.4843 1.4843 2.1107 2.1107 2.2201 2.2201 3.1003 3.1003 3.3428 3.3428 3.4057 3.4057 3.4676 3.4676 4.0393 4.0393 4.9564 4.9564 6.9751 6.9751 6.9912 6.9912 7.1938 7.1938 7.4276 7.4276 7.4285 7.4285 7.6800 7.6800 10.9076 10.9076 11.1941 11.1941 11.4828 11.4828 k = 0.0000 0.0000 0.1417 ( 9594 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4049 -17.4049 -17.4037 -17.4037 -17.2315 -17.2315 -17.2290 -17.2290 -17.2206 -17.2206 -17.2201 -17.2201 -5.1348 -5.1348 -4.9836 -4.9836 0.8053 0.8053 0.8147 0.8147 1.4617 1.4617 1.4833 1.4833 2.1126 2.1126 2.2111 2.2111 3.1225 3.1225 3.3453 3.3453 3.4032 3.4032 3.4570 3.4570 4.0665 4.0665 4.9068 4.9068 6.9860 6.9860 7.0128 7.0128 7.2019 7.2019 7.4172 7.4172 7.4384 7.4384 7.6699 7.6699 10.8872 10.8872 11.1956 11.1956 11.4912 11.4914 k = 0.0000 0.0000 0.1558 ( 9594 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4048 -17.4048 -17.4037 -17.4037 -17.2314 -17.2314 -17.2291 -17.2291 -17.2206 -17.2206 -17.2202 -17.2202 -5.1280 -5.1280 -4.9909 -4.9909 0.8057 0.8057 0.8142 0.8142 1.4627 1.4627 1.4823 1.4823 2.1147 2.1147 2.2022 2.2022 3.1453 3.1453 3.3480 3.3480 3.4005 3.4005 3.4454 3.4454 4.0966 4.0966 4.8554 4.8554 6.9976 6.9976 7.0324 7.0324 7.2107 7.2107 7.4061 7.4061 7.4490 7.4490 7.6590 7.6590 10.8738 10.8738 11.2013 11.2013 11.4862 11.4862 k = 0.0000 0.0000 0.1700 ( 9558 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4047 -17.4047 -17.4037 -17.4037 -17.2312 -17.2312 -17.2292 -17.2292 -17.2205 -17.2205 -17.2201 -17.2201 -5.1207 -5.1207 -4.9986 -4.9986 0.8062 0.8062 0.8138 0.8138 1.4637 1.4637 1.4811 1.4811 2.1171 2.1171 2.1935 2.1935 3.1683 3.1683 3.3508 3.3508 3.3976 3.3976 3.4329 3.4329 4.1296 4.1296 4.8027 4.8027 7.0096 7.0096 7.0494 7.0494 7.2201 7.2201 7.3942 7.3942 7.4603 7.4603 7.6474 7.6474 10.8688 10.8688 11.2101 11.2101 11.4576 11.4576 k = 0.0000 0.0000 0.1842 ( 9582 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4047 -17.4047 -17.4038 -17.4038 -17.2311 -17.2311 -17.2294 -17.2294 -17.2205 -17.2205 -17.2201 -17.2201 -5.1130 -5.1130 -5.0068 -5.0068 0.8066 0.8066 0.8132 0.8132 1.4648 1.4648 1.4799 1.4799 2.1199 2.1199 2.1851 2.1851 3.1912 3.1912 3.3539 3.3539 3.3946 3.3946 3.4193 3.4193 4.1654 4.1654 4.7491 4.7491 7.0218 7.0218 7.0635 7.0635 7.2302 7.2302 7.3817 7.3817 7.4724 7.4724 7.6351 7.6351 10.8731 10.8731 11.2216 11.2216 11.4258 11.4258 k = 0.0000 0.0000 0.1983 ( 9582 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4046 -17.4046 -17.4039 -17.4039 -17.2310 -17.2310 -17.2295 -17.2295 -17.2205 -17.2205 -17.2202 -17.2202 -5.1049 -5.1049 -5.0152 -5.0152 0.8071 0.8071 0.8127 0.8127 1.4659 1.4659 1.4787 1.4787 2.1230 2.1230 2.1772 2.1772 3.2139 3.2139 3.3570 3.3570 3.3914 3.3914 3.4049 3.4049 4.2039 4.2039 4.6952 4.6952 7.0339 7.0339 7.0745 7.0745 7.2409 7.2409 7.3687 7.3687 7.4849 7.4849 7.6223 7.6223 10.8869 10.8869 11.2353 11.2353 11.3885 11.3885 k = 0.0000 0.0000 0.2125 ( 9582 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4045 -17.4045 -17.4040 -17.4040 -17.2309 -17.2309 -17.2297 -17.2297 -17.2205 -17.2205 -17.2202 -17.2202 -5.0964 -5.0964 -5.0240 -5.0240 0.8077 0.8077 0.8122 0.8122 1.4671 1.4671 1.4774 1.4774 2.1264 2.1264 2.1696 2.1696 3.2362 3.2362 3.3603 3.3603 3.3881 3.3881 3.3895 3.3895 4.2450 4.2450 4.6411 4.6411 7.0457 7.0457 7.0821 7.0821 7.2521 7.2521 7.3554 7.3554 7.4980 7.4980 7.6091 7.6091 10.9104 10.9104 11.2511 11.2511 11.3419 11.3419 k = 0.0000 0.0000 0.2267 ( 9570 PWs) bands (ev): -45.3636 -45.3636 -45.3635 -45.3635 -17.4044 -17.4044 -17.4041 -17.4041 -17.2306 -17.2306 -17.2298 -17.2298 -17.2204 -17.2204 -17.2202 -17.2202 -5.0877 -5.0877 -5.0330 -5.0330 0.8082 0.8082 0.8116 0.8116 1.4683 1.4683 1.4761 1.4761 2.1302 2.1302 2.1626 2.1626 3.2579 3.2579 3.3637 3.3637 3.3732 3.3732 3.3847 3.3847 4.2885 4.2885 4.5874 4.5874 7.0568 7.0568 7.0865 7.0865 7.2638 7.2638 7.3420 7.3420 7.5115 7.5115 7.5954 7.5954 10.9433 10.9433 11.2688 11.2688 11.2841 11.2841 k = 0.0000 0.0000 0.2409 ( 9540 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4041 -17.4041 -17.2304 -17.2304 -17.2299 -17.2299 -17.2204 -17.2204 -17.2202 -17.2202 -5.0788 -5.0788 -5.0421 -5.0421 0.8087 0.8087 0.8110 0.8110 1.4696 1.4696 1.4748 1.4748 2.1345 2.1345 2.1560 2.1560 3.2791 3.2791 3.3560 3.3560 3.3672 3.3672 3.3812 3.3812 4.3342 4.3342 4.5343 4.5343 7.0667 7.0667 7.0877 7.0877 7.2761 7.2761 7.3284 7.3284 7.5252 7.5252 7.5816 7.5816 10.9850 10.9850 11.2195 11.2195 11.2884 11.2884 k = 0.0000 0.0000 0.2550 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4041 -17.4041 -17.2303 -17.2303 -17.2300 -17.2300 -17.2204 -17.2204 -17.2203 -17.2203 -5.0697 -5.0697 -5.0513 -5.0513 0.8093 0.8093 0.8105 0.8105 1.4709 1.4709 1.4735 1.4735 2.1391 2.1391 2.1499 2.1499 3.2995 3.2995 3.3380 3.3380 3.3707 3.3707 3.3777 3.3777 4.3818 4.3818 4.4822 4.4822 7.0752 7.0752 7.0861 7.0861 7.2887 7.2887 7.3149 7.3149 7.5392 7.5392 7.5675 7.5675 11.0348 11.0348 11.1539 11.1539 11.3100 11.3100 k = 0.0000 0.0000 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0605 -5.0605 -5.0605 -5.0605 0.8099 0.8099 0.8099 0.8099 1.4722 1.4722 1.4722 1.4722 2.1443 2.1443 2.1443 2.1443 3.3191 3.3191 3.3191 3.3191 3.3742 3.3742 3.3742 3.3742 4.4313 4.4313 4.4313 4.4313 7.0818 7.0818 7.0818 7.0818 7.3017 7.3017 7.3017 7.3017 7.5534 7.5534 7.5534 7.5534 11.0916 11.0916 11.0916 11.0916 11.3338 11.3338 k = 0.0000 0.0000 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0605 -5.0605 -5.0605 -5.0605 0.8099 0.8099 0.8099 0.8099 1.4722 1.4722 1.4722 1.4722 2.1443 2.1443 2.1443 2.1443 3.3191 3.3191 3.3191 3.3191 3.3742 3.3742 3.3742 3.3742 4.4313 4.4313 4.4313 4.4313 7.0818 7.0818 7.0818 7.0818 7.3017 7.3017 7.3017 7.3017 7.5534 7.5534 7.5534 7.5534 11.0916 11.0916 11.0916 11.0916 11.3338 11.3338 k = 0.0125 0.0072 0.2692 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0597 -5.0597 -5.0597 -5.0597 0.8101 0.8101 0.8101 0.8101 1.4721 1.4721 1.4721 1.4721 2.1439 2.1439 2.1439 2.1439 3.3126 3.3126 3.3126 3.3126 3.3805 3.3805 3.3805 3.3805 4.4330 4.4330 4.4330 4.4330 7.0363 7.0363 7.0363 7.0363 7.3215 7.3215 7.3215 7.3215 7.5719 7.5719 7.5719 7.5719 11.0829 11.0829 11.0829 11.0829 11.3381 11.3381 k = 0.0250 0.0144 0.2692 ( 9548 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0572 -5.0572 -5.0572 -5.0572 0.8108 0.8108 0.8108 0.8108 1.4719 1.4719 1.4719 1.4719 2.1428 2.1428 2.1428 2.1428 3.2981 3.2981 3.2981 3.2981 3.3943 3.3943 3.3943 3.3943 4.4380 4.4380 4.4380 4.4380 6.9387 6.9387 6.9387 6.9387 7.3414 7.3414 7.3414 7.3414 7.6286 7.6286 7.6286 7.6286 11.0584 11.0584 11.0584 11.0584 11.3501 11.3501 k = 0.0375 0.0217 0.2692 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0531 -5.0531 -5.0531 -5.0531 0.8119 0.8119 0.8119 0.8119 1.4716 1.4716 1.4716 1.4716 2.1410 2.1410 2.1410 2.1410 3.2806 3.2806 3.2806 3.2806 3.4106 3.4106 3.4106 3.4106 4.4464 4.4464 4.4464 4.4464 6.8226 6.8226 6.8226 6.8226 7.3372 7.3372 7.3372 7.3372 7.7140 7.7140 7.7140 7.7140 11.0216 11.0216 11.0216 11.0216 11.3675 11.3675 k = 0.0500 0.0289 0.2692 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0473 -5.0473 -5.0473 -5.0473 0.8134 0.8134 0.8134 0.8134 1.4713 1.4713 1.4713 1.4713 2.1385 2.1385 2.1385 2.1385 3.2621 3.2621 3.2621 3.2621 3.4274 3.4274 3.4274 3.4274 4.4580 4.4580 4.4580 4.4580 6.6986 6.6986 6.6986 6.6986 7.3139 7.3139 7.3139 7.3139 7.8130 7.8130 7.8130 7.8130 10.9763 10.9763 10.9763 10.9763 11.3877 11.3877 k = 0.0625 0.0361 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0400 -5.0400 -5.0400 -5.0400 0.8153 0.8153 0.8153 0.8153 1.4710 1.4710 1.4710 1.4710 2.1354 2.1354 2.1354 2.1354 3.2433 3.2433 3.2433 3.2433 3.4440 3.4440 3.4440 3.4440 4.4728 4.4728 4.4728 4.4728 6.5703 6.5703 6.5703 6.5703 7.2776 7.2776 7.2776 7.2776 7.9164 7.9164 7.9164 7.9164 10.9256 10.9256 10.9256 10.9256 11.4074 11.4074 k = 0.0750 0.0433 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0311 -5.0311 -5.0311 -5.0311 0.8175 0.8175 0.8175 0.8175 1.4708 1.4708 1.4708 1.4708 2.1316 2.1316 2.1316 2.1316 3.2245 3.2245 3.2245 3.2245 3.4601 3.4601 3.4601 3.4601 4.4906 4.4906 4.4906 4.4906 6.4397 6.4397 6.4397 6.4397 7.2312 7.2312 7.2312 7.2312 8.0197 8.0197 8.0197 8.0197 10.8721 10.8721 10.8721 10.8721 11.4241 11.4241 k = 0.0875 0.0505 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2303 -17.2303 -17.2303 -17.2303 -17.2205 -17.2205 -17.2205 -17.2205 -5.0206 -5.0206 -5.0206 -5.0206 0.8200 0.8200 0.8200 0.8200 1.4709 1.4709 1.4709 1.4709 2.1272 2.1272 2.1272 2.1272 3.2060 3.2060 3.2060 3.2060 3.4754 3.4754 3.4754 3.4754 4.5112 4.5112 4.5112 4.5112 6.3078 6.3078 6.3078 6.3078 7.1766 7.1766 7.1766 7.1766 8.1207 8.1207 8.1207 8.1207 10.8176 10.8176 10.8176 10.8176 11.4360 11.4360 k = 0.1000 0.0577 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2303 -17.2303 -17.2303 -17.2303 -17.2205 -17.2205 -17.2205 -17.2205 -5.0086 -5.0086 -5.0086 -5.0086 0.8226 0.8226 0.8226 0.8226 1.4712 1.4712 1.4712 1.4712 2.1222 2.1222 2.1222 2.1222 3.1879 3.1879 3.1879 3.1879 3.4899 3.4899 3.4899 3.4899 4.5343 4.5343 4.5343 4.5343 6.1755 6.1755 6.1755 6.1755 7.1151 7.1151 7.1151 7.1151 8.2177 8.2177 8.2177 8.2177 10.7632 10.7632 10.7632 10.7632 11.4435 11.4435 k = 0.1125 0.0650 0.2692 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4044 -17.4044 -17.4044 -17.4044 -17.2303 -17.2303 -17.2303 -17.2303 -17.2206 -17.2206 -17.2206 -17.2206 -4.9952 -4.9952 -4.9952 -4.9952 0.8253 0.8253 0.8253 0.8253 1.4720 1.4720 1.4720 1.4720 2.1168 2.1168 2.1168 2.1168 3.1702 3.1702 3.1702 3.1702 3.5034 3.5034 3.5034 3.5034 4.5595 4.5595 4.5595 4.5595 6.0437 6.0437 6.0437 6.0437 7.0477 7.0477 7.0477 7.0477 8.3095 8.3095 8.3095 8.3095 10.7097 10.7097 10.7097 10.7097 11.4481 11.4481 k = 0.1250 0.0722 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4044 -17.4044 -17.4044 -17.4044 -17.2303 -17.2303 -17.2303 -17.2303 -17.2207 -17.2207 -17.2207 -17.2207 -4.9805 -4.9805 -4.9805 -4.9805 0.8281 0.8281 0.8281 0.8281 1.4734 1.4734 1.4734 1.4734 2.1109 2.1109 2.1109 2.1109 3.1531 3.1531 3.1531 3.1531 3.5159 3.5159 3.5159 3.5159 4.5863 4.5863 4.5863 4.5863 5.9131 5.9131 5.9131 5.9131 6.9754 6.9754 6.9754 6.9754 8.3954 8.3954 8.3954 8.3954 10.6572 10.6572 10.6572 10.6572 11.4520 11.4520 k = 0.1375 0.0794 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4044 -17.4044 -17.4044 -17.4044 -17.2303 -17.2303 -17.2303 -17.2303 -17.2207 -17.2207 -17.2207 -17.2207 -4.9643 -4.9643 -4.9643 -4.9643 0.8308 0.8308 0.8308 0.8308 1.4754 1.4754 1.4754 1.4754 2.1046 2.1046 2.1046 2.1046 3.1366 3.1366 3.1366 3.1366 3.5274 3.5274 3.5274 3.5274 4.6139 4.6139 4.6139 4.6139 5.7849 5.7849 5.7849 5.7849 6.8990 6.8990 6.8990 6.8990 8.4743 8.4743 8.4743 8.4743 10.6055 10.6055 10.6055 10.6055 11.4580 11.4580 k = 0.1500 0.0866 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2208 -17.2208 -17.2208 -17.2208 -4.9470 -4.9470 -4.9470 -4.9470 0.8334 0.8334 0.8334 0.8334 1.4783 1.4783 1.4783 1.4783 2.0979 2.0979 2.0979 2.0979 3.1207 3.1207 3.1207 3.1207 3.5378 3.5378 3.5378 3.5378 4.6412 4.6412 4.6412 4.6412 5.6604 5.6604 5.6604 5.6604 6.8190 6.8190 6.8190 6.8190 8.5457 8.5457 8.5457 8.5457 10.5540 10.5540 10.5540 10.5540 11.4686 11.4686 k = 0.1625 0.0938 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2208 -17.2208 -17.2208 -17.2208 -4.9285 -4.9285 -4.9285 -4.9285 0.8359 0.8359 0.8359 0.8359 1.4819 1.4819 1.4819 1.4819 2.0910 2.0910 2.0910 2.0910 3.1054 3.1054 3.1054 3.1054 3.5472 3.5472 3.5472 3.5472 4.6664 4.6664 4.6664 4.6664 5.5417 5.5417 5.5417 5.5417 6.7364 6.7364 6.7364 6.7364 8.6090 8.6090 8.6090 8.6090 10.5020 10.5020 10.5020 10.5020 11.4864 11.4864 k = 0.1750 0.1010 0.2692 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2209 -17.2209 -17.2209 -17.2209 -4.9089 -4.9089 -4.9089 -4.9089 0.8382 0.8382 0.8382 0.8382 1.4865 1.4865 1.4865 1.4865 2.0840 2.0840 2.0840 2.0840 3.0908 3.0908 3.0908 3.0908 3.5554 3.5554 3.5554 3.5554 4.6864 4.6864 4.6864 4.6864 5.4319 5.4319 5.4319 5.4319 6.6516 6.6516 6.6516 6.6516 8.6640 8.6640 8.6640 8.6640 10.4487 10.4487 10.4487 10.4487 11.5133 11.5133 k = 0.1875 0.1083 0.2692 ( 9586 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2210 -17.2210 -17.2210 -17.2210 -4.8883 -4.8883 -4.8883 -4.8883 0.8403 0.8403 0.8403 0.8403 1.4921 1.4921 1.4921 1.4921 2.0767 2.0767 2.0767 2.0767 3.0768 3.0768 3.0768 3.0768 3.5625 3.5625 3.5625 3.5625 4.6967 4.6967 4.6967 4.6967 5.3361 5.3361 5.3361 5.3361 6.5652 6.5652 6.5652 6.5652 8.7107 8.7107 8.7107 8.7107 10.3932 10.3932 10.3932 10.3932 11.5510 11.5510 k = 0.2000 0.1155 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2211 -17.2211 -17.2211 -17.2211 -4.8668 -4.8668 -4.8668 -4.8668 0.8421 0.8421 0.8421 0.8421 1.4986 1.4986 1.4986 1.4986 2.0695 2.0695 2.0695 2.0695 3.0635 3.0635 3.0635 3.0635 3.5685 3.5685 3.5685 3.5685 4.6903 4.6903 4.6903 4.6903 5.2612 5.2612 5.2612 5.2612 6.4777 6.4777 6.4777 6.4777 8.7493 8.7493 8.7493 8.7493 10.3352 10.3352 10.3352 10.3352 11.6002 11.6002 k = 0.2125 0.1227 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2212 -17.2212 -17.2212 -17.2212 -4.8445 -4.8445 -4.8445 -4.8445 0.8438 0.8438 0.8438 0.8438 1.5059 1.5059 1.5059 1.5059 2.0622 2.0622 2.0622 2.0622 3.0508 3.0508 3.0508 3.0508 3.5732 3.5732 3.5732 3.5732 4.6605 4.6605 4.6605 4.6605 5.2142 5.2142 5.2142 5.2142 6.3897 6.3897 6.3897 6.3897 8.7803 8.7803 8.7803 8.7803 10.2742 10.2742 10.2742 10.2742 11.6613 11.6613 k = 0.2250 0.1299 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2212 -17.2212 -17.2212 -17.2212 -4.8216 -4.8216 -4.8216 -4.8216 0.8454 0.8454 0.8454 0.8454 1.5142 1.5142 1.5142 1.5142 2.0551 2.0551 2.0551 2.0551 3.0387 3.0387 3.0387 3.0387 3.5765 3.5765 3.5765 3.5765 4.6059 4.6059 4.6059 4.6059 5.1969 5.1969 5.1969 5.1969 6.3015 6.3015 6.3015 6.3015 8.8043 8.8043 8.8043 8.8043 10.2104 10.2104 10.2104 10.2104 11.7338 11.7338 k = 0.2375 0.1371 0.2692 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2213 -17.2213 -17.2213 -17.2213 -4.7981 -4.7981 -4.7981 -4.7981 0.8468 0.8468 0.8468 0.8468 1.5231 1.5231 1.5231 1.5231 2.0481 2.0481 2.0481 2.0481 3.0272 3.0272 3.0272 3.0272 3.5784 3.5784 3.5784 3.5784 4.5321 4.5321 4.5321 4.5321 5.2041 5.2041 5.2041 5.2041 6.2137 6.2137 6.2137 6.2137 8.8220 8.8220 8.8220 8.8220 10.1439 10.1439 10.1439 10.1439 11.8169 11.8169 k = 0.2500 0.1443 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2214 -17.2214 -17.2214 -17.2214 -4.7742 -4.7742 -4.7742 -4.7742 0.8483 0.8483 0.8483 0.8483 1.5325 1.5325 1.5325 1.5325 2.0414 2.0414 2.0414 2.0414 3.0163 3.0163 3.0163 3.0163 3.5785 3.5785 3.5785 3.5785 4.4472 4.4472 4.4472 4.4472 5.2280 5.2280 5.2280 5.2280 6.1265 6.1265 6.1265 6.1265 8.8343 8.8343 8.8343 8.8343 10.0751 10.0751 10.0751 10.0751 11.9092 11.9092 k = 0.2625 0.1516 0.2692 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4048 -17.4048 -17.4048 -17.4048 -17.2304 -17.2304 -17.2304 -17.2304 -17.2215 -17.2215 -17.2215 -17.2215 -4.7501 -4.7501 -4.7501 -4.7501 0.8498 0.8498 0.8498 0.8498 1.5423 1.5423 1.5423 1.5423 2.0351 2.0351 2.0351 2.0351 3.0059 3.0059 3.0059 3.0059 3.5765 3.5765 3.5765 3.5765 4.3578 4.3578 4.3578 4.3578 5.2625 5.2625 5.2625 5.2625 6.0405 6.0405 6.0405 6.0405 8.8419 8.8419 8.8419 8.8419 10.0045 10.0045 10.0045 10.0045 12.0092 12.0092 k = 0.2750 0.1588 0.2692 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4048 -17.4048 -17.4048 -17.4048 -17.2304 -17.2304 -17.2304 -17.2304 -17.2215 -17.2215 -17.2215 -17.2215 -4.7258 -4.7258 -4.7258 -4.7258 0.8515 0.8515 0.8515 0.8515 1.5522 1.5522 1.5522 1.5522 2.0291 2.0291 2.0291 2.0291 2.9960 2.9960 2.9960 2.9960 3.5720 3.5720 3.5720 3.5720 4.2686 4.2686 4.2686 4.2686 5.3035 5.3035 5.3035 5.3035 5.9561 5.9561 5.9561 5.9561 8.8457 8.8457 8.8457 8.8457 9.9326 9.9326 9.9326 9.9326 12.1149 12.1149 k = 0.2875 0.1660 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2305 -17.2305 -17.2305 -17.2305 -17.2217 -17.2217 -17.2217 -17.2217 -4.7016 -4.7016 -4.7016 -4.7016 0.8534 0.8534 0.8534 0.8534 1.5619 1.5619 1.5619 1.5619 2.0236 2.0236 2.0236 2.0236 2.9866 2.9866 2.9866 2.9866 3.5643 3.5643 3.5643 3.5643 4.1828 4.1828 4.1828 4.1828 5.3484 5.3484 5.3484 5.3484 5.8737 5.8737 5.8737 5.8737 8.8462 8.8462 8.8462 8.8462 9.8600 9.8600 9.8600 9.8600 12.2241 12.2241 k = 0.3000 0.1732 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2305 -17.2305 -17.2305 -17.2305 -17.2217 -17.2217 -17.2217 -17.2217 -4.6775 -4.6775 -4.6775 -4.6775 0.8557 0.8557 0.8557 0.8557 1.5711 1.5711 1.5711 1.5711 2.0187 2.0187 2.0187 2.0187 2.9776 2.9776 2.9776 2.9776 3.5526 3.5526 3.5526 3.5526 4.1029 4.1029 4.1029 4.1029 5.3953 5.3953 5.3953 5.3953 5.7940 5.7940 5.7940 5.7940 8.8442 8.8442 8.8442 8.8442 9.7874 9.7874 9.7874 9.7874 12.3341 12.3341 k = 0.3125 0.1804 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2305 -17.2305 -17.2305 -17.2305 -17.2218 -17.2218 -17.2218 -17.2218 -4.6538 -4.6538 -4.6538 -4.6538 0.8585 0.8585 0.8585 0.8585 1.5797 1.5797 1.5797 1.5797 2.0144 2.0144 2.0144 2.0144 2.9690 2.9690 2.9690 2.9690 3.5359 3.5359 3.5359 3.5359 4.0313 4.0313 4.0313 4.0313 5.4421 5.4421 5.4421 5.4421 5.7184 5.7184 5.7184 5.7184 8.8400 8.8400 8.8400 8.8400 9.7153 9.7153 9.7153 9.7153 12.4421 12.4421 k = 0.3250 0.1876 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4050 -17.4050 -17.4050 -17.4050 -17.2305 -17.2305 -17.2305 -17.2305 -17.2219 -17.2219 -17.2219 -17.2219 -4.6305 -4.6305 -4.6305 -4.6305 0.8617 0.8617 0.8617 0.8617 1.5873 1.5873 1.5873 1.5873 2.0107 2.0107 2.0107 2.0107 2.9608 2.9608 2.9608 2.9608 3.5135 3.5135 3.5135 3.5135 3.9695 3.9695 3.9695 3.9695 5.4845 5.4845 5.4845 5.4845 5.6508 5.6508 5.6508 5.6508 8.8342 8.8342 8.8342 8.8342 9.6443 9.6443 9.6443 9.6443 12.5443 12.5443 k = 0.3375 0.1949 0.2692 ( 9600 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2306 -17.2306 -17.2306 -17.2306 -17.2220 -17.2220 -17.2220 -17.2220 -4.6080 -4.6080 -4.6080 -4.6080 0.8655 0.8655 0.8655 0.8655 1.5936 1.5936 1.5936 1.5936 2.0077 2.0077 2.0077 2.0077 2.9529 2.9529 2.9529 2.9529 3.4850 3.4850 3.4850 3.4850 3.9187 3.9187 3.9187 3.9187 5.5032 5.5032 5.5032 5.5032 5.6099 5.6099 5.6099 5.6099 8.8270 8.8270 8.8270 8.8270 9.5751 9.5751 9.5751 9.5751 12.6371 12.6371 k = 0.3500 0.2021 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2306 -17.2306 -17.2306 -17.2306 -17.2220 -17.2220 -17.2220 -17.2220 -4.5862 -4.5862 -4.5862 -4.5862 0.8699 0.8699 0.8699 0.8699 1.5984 1.5984 1.5984 1.5984 2.0054 2.0054 2.0054 2.0054 2.9453 2.9453 2.9453 2.9453 3.4510 3.4510 3.4510 3.4510 3.8787 3.8787 3.8787 3.8787 5.4676 5.4676 5.4676 5.4676 5.6261 5.6261 5.6261 5.6261 8.8188 8.8188 8.8188 8.8188 9.5082 9.5082 9.5082 9.5082 12.7169 12.7169 k = 0.3625 0.2093 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2306 -17.2306 -17.2306 -17.2306 -17.2221 -17.2221 -17.2221 -17.2221 -4.5655 -4.5655 -4.5655 -4.5655 0.8748 0.8748 0.8748 0.8748 1.6017 1.6017 1.6017 1.6017 2.0036 2.0036 2.0036 2.0036 2.9379 2.9379 2.9379 2.9379 3.4133 3.4133 3.4133 3.4133 3.8485 3.8485 3.8485 3.8485 5.4105 5.4105 5.4105 5.4105 5.6666 5.6666 5.6666 5.6666 8.8098 8.8098 8.8098 8.8098 9.4443 9.4443 9.4443 9.4443 12.7811 12.7811 k = 0.3750 0.2165 0.2692 ( 9596 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2306 -17.2306 -17.2306 -17.2306 -17.2222 -17.2222 -17.2222 -17.2222 -4.5459 -4.5459 -4.5459 -4.5459 0.8803 0.8803 0.8803 0.8803 1.6034 1.6034 1.6034 1.6034 2.0023 2.0023 2.0023 2.0023 2.9308 2.9308 2.9308 2.9308 3.3739 3.3739 3.3739 3.3739 3.8262 3.8262 3.8262 3.8262 5.3520 5.3520 5.3520 5.3520 5.7108 5.7108 5.7108 5.7108 8.8001 8.8001 8.8001 8.8001 9.3841 9.3841 9.3841 9.3841 12.8292 12.8292 k = 0.3875 0.2237 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2306 -17.2306 -17.2306 -17.2306 -17.2222 -17.2222 -17.2222 -17.2222 -4.5276 -4.5276 -4.5276 -4.5276 0.8862 0.8862 0.8862 0.8862 1.6034 1.6034 1.6034 1.6034 2.0015 2.0015 2.0015 2.0015 2.9240 2.9240 2.9240 2.9240 3.3351 3.3351 3.3351 3.3351 3.8100 3.8100 3.8100 3.8100 5.2962 5.2962 5.2962 5.2962 5.7546 5.7546 5.7546 5.7546 8.7899 8.7899 8.7899 8.7899 9.3280 9.3280 9.3280 9.3280 12.8626 12.8626 k = 0.4000 0.2309 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2306 -17.2306 -17.2306 -17.2306 -17.2223 -17.2223 -17.2223 -17.2223 -4.5108 -4.5108 -4.5108 -4.5108 0.8924 0.8924 0.8924 0.8924 1.6020 1.6020 1.6020 1.6020 2.0010 2.0010 2.0010 2.0010 2.9175 2.9175 2.9175 2.9175 3.2984 3.2984 3.2984 3.2984 3.7982 3.7982 3.7982 3.7982 5.2445 5.2445 5.2445 5.2445 5.7963 5.7963 5.7963 5.7963 8.7794 8.7794 8.7794 8.7794 9.2768 9.2768 9.2768 9.2768 12.8838 12.8838 k = 0.4125 0.2382 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2306 -17.2306 -17.2306 -17.2306 -17.2223 -17.2223 -17.2223 -17.2223 -4.4956 -4.4956 -4.4956 -4.4956 0.8987 0.8987 0.8987 0.8987 1.5994 1.5994 1.5994 1.5994 2.0007 2.0007 2.0007 2.0007 2.9113 2.9113 2.9113 2.9113 3.2653 3.2653 3.2653 3.2653 3.7896 3.7896 3.7896 3.7896 5.1977 5.1977 5.1977 5.1977 5.8351 5.8351 5.8351 5.8351 8.7687 8.7687 8.7687 8.7687 9.2309 9.2309 9.2309 9.2309 12.8960 12.8960 k = 0.4250 0.2454 0.2692 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2306 -17.2306 -17.2306 -17.2306 -17.2224 -17.2224 -17.2224 -17.2224 -4.4821 -4.4821 -4.4821 -4.4821 0.9049 0.9049 0.9049 0.9049 1.5958 1.5958 1.5958 1.5958 2.0005 2.0005 2.0005 2.0005 2.9056 2.9056 2.9056 2.9056 3.2363 3.2363 3.2363 3.2363 3.7833 3.7833 3.7833 3.7833 5.1561 5.1561 5.1561 5.1561 5.8703 5.8703 5.8703 5.8703 8.7581 8.7581 8.7581 8.7581 9.1908 9.1908 9.1908 9.1908 12.9020 12.9020 k = 0.4375 0.2526 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2306 -17.2306 -17.2306 -17.2306 -17.2224 -17.2224 -17.2224 -17.2224 -4.4705 -4.4705 -4.4705 -4.4705 0.9109 0.9109 0.9109 0.9109 1.5918 1.5918 1.5918 1.5918 2.0004 2.0004 2.0004 2.0004 2.9004 2.9004 2.9004 2.9004 3.2119 3.2119 3.2119 3.2119 3.7787 3.7787 3.7787 3.7787 5.1201 5.1201 5.1201 5.1201 5.9012 5.9012 5.9012 5.9012 8.7479 8.7479 8.7479 8.7479 9.1568 9.1568 9.1568 9.1568 12.9039 12.9039 k = 0.4500 0.2598 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2224 -17.2224 -17.2224 -17.2224 -4.4609 -4.4609 -4.4609 -4.4609 0.9162 0.9162 0.9162 0.9162 1.5876 1.5876 1.5876 1.5876 2.0003 2.0003 2.0003 2.0003 2.8960 2.8960 2.8960 2.8960 3.1922 3.1922 3.1922 3.1922 3.7754 3.7754 3.7754 3.7754 5.0903 5.0903 5.0903 5.0903 5.9273 5.9273 5.9273 5.9273 8.7385 8.7385 8.7385 8.7385 9.1290 9.1290 9.1290 9.1290 12.9037 12.9037 k = 0.4625 0.2670 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2224 -17.2224 -17.2224 -17.2224 -4.4533 -4.4533 -4.4533 -4.4533 0.9208 0.9208 0.9208 0.9208 1.5838 1.5838 1.5838 1.5838 2.0003 2.0003 2.0003 2.0003 2.8923 2.8923 2.8923 2.8923 3.1771 3.1771 3.1771 3.1771 3.7731 3.7731 3.7731 3.7731 5.0667 5.0667 5.0667 5.0667 5.9482 5.9482 5.9482 5.9482 8.7305 8.7305 8.7305 8.7305 9.1076 9.1076 9.1076 9.1076 12.9024 12.9024 k = 0.4750 0.2742 0.2692 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4478 -4.4478 -4.4478 -4.4478 0.9242 0.9242 0.9242 0.9242 1.5808 1.5808 1.5808 1.5808 2.0002 2.0002 2.0002 2.0002 2.8896 2.8896 2.8896 2.8896 3.1665 3.1665 3.1665 3.1665 3.7716 3.7716 3.7716 3.7716 5.0497 5.0497 5.0497 5.0497 5.9634 5.9634 5.9634 5.9634 8.7244 8.7244 8.7244 8.7244 9.0924 9.0924 9.0924 9.0924 12.9009 12.9009 k = 0.4875 0.2815 0.2692 ( 9586 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2224 -17.2224 -17.2224 -17.2224 -4.4445 -4.4445 -4.4445 -4.4445 0.9264 0.9264 0.9264 0.9264 1.5788 1.5788 1.5788 1.5788 2.0002 2.0002 2.0002 2.0002 2.8880 2.8880 2.8880 2.8880 3.1602 3.1602 3.1602 3.1602 3.7707 3.7707 3.7707 3.7707 5.0394 5.0394 5.0394 5.0394 5.9727 5.9727 5.9727 5.9727 8.7205 8.7205 8.7205 8.7205 9.0834 9.0834 9.0834 9.0834 12.8998 12.8998 k = 0.5000 0.2887 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4434 -4.4434 -4.4434 -4.4434 0.9271 0.9271 0.9271 0.9271 1.5781 1.5781 1.5781 1.5781 2.0001 2.0001 2.0001 2.0001 2.8874 2.8874 2.8874 2.8874 3.1581 3.1581 3.1581 3.1581 3.7704 3.7704 3.7704 3.7704 5.0360 5.0360 5.0360 5.0360 5.9758 5.9758 5.9758 5.9758 8.7191 8.7191 8.7191 8.7191 9.0803 9.0803 9.0803 9.0803 12.8994 12.8994 k = 0.5000 0.2887 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4434 -4.4434 -4.4434 -4.4434 0.9271 0.9271 0.9271 0.9271 1.5781 1.5781 1.5781 1.5781 2.0001 2.0001 2.0001 2.0001 2.8874 2.8874 2.8874 2.8874 3.1581 3.1581 3.1581 3.1581 3.7704 3.7704 3.7704 3.7704 5.0360 5.0360 5.0360 5.0360 5.9758 5.9758 5.9758 5.9758 8.7191 8.7191 8.7191 8.7191 9.0803 9.0803 9.0803 9.0803 12.8994 12.8994 k = 0.4928 0.3012 0.2692 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4441 -4.4441 -4.4420 -4.4420 0.9210 0.9210 0.9333 0.9333 1.5650 1.5650 1.5935 1.5935 1.9915 1.9915 2.0094 2.0094 2.8779 2.8779 2.8955 2.8955 3.1533 3.1533 3.1635 3.1635 3.7652 3.7652 3.7752 3.7752 5.0093 5.0093 5.0470 5.0470 5.9712 5.9712 5.9834 5.9834 8.7159 8.7159 8.7341 8.7341 9.0850 9.0850 9.0853 9.0853 12.8714 12.8714 k = 0.4855 0.3138 0.2692 ( 9604 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4442 -4.4442 -4.4399 -4.4399 0.9152 0.9152 0.9397 0.9397 1.5541 1.5541 1.6111 1.6111 1.9833 1.9833 2.0191 2.0191 2.8668 2.8668 2.9019 2.9019 3.1493 3.1493 3.1697 3.1697 3.7594 3.7594 3.7794 3.7794 4.9678 4.9678 5.0422 5.0422 5.9696 5.9696 5.9938 5.9938 8.7245 8.7245 8.7587 8.7587 9.1001 9.1001 9.1005 9.1005 12.8174 12.8174 k = 0.4783 0.3263 0.2692 ( 9612 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4435 -4.4435 -4.4372 -4.4372 0.9095 0.9095 0.9461 0.9461 1.5452 1.5452 1.6310 1.6310 1.9756 1.9756 2.0293 2.0293 2.8545 2.8545 2.9066 2.9066 3.1460 3.1460 3.1765 3.1765 3.7531 3.7531 3.7832 3.7832 4.9129 4.9129 5.0223 5.0223 5.9707 5.9707 6.0070 6.0070 8.7425 8.7425 8.7888 8.7888 9.1265 9.1265 9.1298 9.1298 12.7444 12.7444 k = 0.4710 0.3389 0.2692 ( 9604 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4423 -4.4423 -4.4338 -4.4338 0.9041 0.9041 0.9526 0.9526 1.5383 1.5383 1.6532 1.6532 1.9685 1.9685 2.0401 2.0401 2.8410 2.8410 2.9097 2.9097 3.1435 3.1435 3.1838 3.1838 3.7463 3.7463 3.7865 3.7865 4.8463 4.8463 4.9884 4.9884 5.9743 5.9743 6.0226 6.0226 8.7663 8.7663 8.8190 8.8190 9.1673 9.1673 9.1764 9.1764 12.6588 12.6588 k = 0.4638 0.3514 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2225 -17.2225 -17.2225 -17.2225 -4.4404 -4.4404 -4.4299 -4.4299 0.8991 0.8991 0.9592 0.9592 1.5332 1.5332 1.6776 1.6776 1.9620 1.9620 2.0513 2.0513 2.8266 2.8266 2.9111 2.9111 3.1416 3.1416 3.1916 3.1916 3.7390 3.7390 3.7894 3.7894 4.7699 4.7699 4.9421 4.9421 5.9802 5.9802 6.0402 6.0402 8.7914 8.7914 8.8450 8.8450 9.2255 9.2255 9.2426 9.2426 12.5653 12.5653 k = 0.4565 0.3640 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2225 -17.2225 -17.2225 -17.2225 -4.4379 -4.4379 -4.4254 -4.4254 0.8944 0.8944 0.9660 0.9660 1.5296 1.5296 1.7041 1.7041 1.9560 1.9560 2.0631 2.0631 2.8113 2.8113 2.9111 2.9111 3.1405 3.1405 3.1996 3.1996 3.7312 3.7312 3.7919 3.7919 4.6858 4.6858 4.8853 4.8853 5.9881 5.9881 6.0594 6.0594 8.8143 8.8143 8.8650 8.8650 9.3028 9.3028 9.3281 9.3281 12.4676 12.4676 k = 0.4493 0.3765 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2226 -17.2226 -17.2225 -17.2225 -4.4348 -4.4348 -4.4204 -4.4204 0.8901 0.8901 0.9729 0.9729 1.5275 1.5275 1.7325 1.7325 1.9507 1.9507 2.0752 2.0752 2.7955 2.7955 2.9095 2.9095 3.1401 3.1401 3.2077 3.2077 3.7231 3.7231 3.7940 3.7940 4.5959 4.5959 4.8199 4.8199 5.9978 5.9978 6.0801 6.0801 8.8331 8.8331 8.8795 8.8795 9.3989 9.3989 9.4303 9.4303 12.3680 12.3680 k = 0.4420 0.3891 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2226 -17.2226 -17.2225 -17.2225 -4.4313 -4.4313 -4.4149 -4.4149 0.8863 0.8863 0.9799 0.9799 1.5264 1.5264 1.7627 1.7627 1.9462 1.9462 2.0877 2.0877 2.7793 2.7793 2.9065 2.9065 3.1405 3.1405 3.2157 3.2157 3.7145 3.7145 3.7958 3.7958 4.5019 4.5019 4.7479 4.7479 6.0091 6.0091 6.1020 6.1020 8.8476 8.8476 8.8897 8.8897 9.5121 9.5121 9.5457 9.5457 12.2685 12.2685 k = 0.4348 0.4016 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2226 -17.2226 -17.2226 -17.2226 -4.4273 -4.4273 -4.4091 -4.4091 0.8829 0.8829 0.9872 0.9872 1.5262 1.5262 1.7943 1.7943 1.9427 1.9427 2.1006 2.1006 2.7629 2.7629 2.9023 2.9023 3.1418 3.1418 3.2234 3.2234 3.7057 3.7057 3.7974 3.7974 4.4056 4.4056 4.6710 4.6710 6.0218 6.0218 6.1247 6.1247 8.8584 8.8584 8.8968 8.8968 9.6396 9.6396 9.6711 9.6711 12.1705 12.1705 k = 0.4275 0.4142 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2226 -17.2226 -17.2226 -17.2226 -4.4230 -4.4230 -4.4031 -4.4031 0.8801 0.8801 0.9946 0.9946 1.5265 1.5265 1.8264 1.8264 1.9408 1.9408 2.1136 2.1136 2.7466 2.7466 2.8969 2.8969 3.1440 3.1440 3.2306 3.2306 3.6966 3.6966 3.7987 3.7987 4.3086 4.3086 4.5909 4.5909 6.0356 6.0356 6.1481 6.1481 8.8662 8.8662 8.9015 8.9015 9.7788 9.7788 9.8034 9.8034 12.0752 12.0752 k = 0.4203 0.4267 0.2692 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2227 -17.2227 -17.2226 -17.2226 -4.4183 -4.4183 -4.3968 -4.3968 0.8777 0.8777 1.0023 1.0023 1.5272 1.5272 1.8574 1.8574 1.9423 1.9423 2.1268 2.1268 2.7304 2.7304 2.8904 2.8904 3.1472 3.1472 3.2368 3.2368 3.6873 3.6873 3.7998 3.7998 4.2123 4.2123 4.5091 4.5091 6.0504 6.0504 6.1718 6.1718 8.8715 8.8715 8.9045 8.9045 9.9268 9.9268 9.9401 9.9401 11.9834 11.9834 k = 0.4130 0.4393 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2227 -17.2227 -17.2226 -17.2226 -4.4135 -4.4135 -4.3904 -4.3904 0.8758 0.8758 1.0103 1.0103 1.5280 1.5280 1.8826 1.8826 1.9512 1.9512 2.1399 2.1399 2.7147 2.7147 2.8829 2.8829 3.1515 3.1515 3.2419 3.2419 3.6779 3.6779 3.8007 3.8007 4.1183 4.1183 4.4269 4.4269 6.0659 6.0659 6.1957 6.1957 8.8748 8.8748 8.9061 8.9061 10.0785 10.0785 10.0811 10.0811 11.8961 11.8961 k = 0.4058 0.4518 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2227 -17.2227 -17.2227 -17.2227 -4.4085 -4.4085 -4.3839 -4.3839 0.8744 0.8744 1.0184 1.0184 1.5286 1.5286 1.8967 1.8967 1.9729 1.9729 2.1529 2.1529 2.6996 2.6996 2.8744 2.8744 3.1569 3.1569 3.2455 3.2455 3.6685 3.6685 3.8015 3.8015 4.0280 4.0280 4.3456 4.3456 6.0818 6.0818 6.2194 6.2194 8.8764 8.8764 8.9065 8.9065 10.2162 10.2162 10.2392 10.2392 11.8139 11.8139 k = 0.3986 0.4644 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2227 -17.2227 -17.2227 -17.2227 -4.4035 -4.4035 -4.3776 -4.3776 0.8735 0.8735 1.0267 1.0267 1.5289 1.5289 1.9016 1.9016 2.0049 2.0049 2.1654 2.1654 2.6854 2.6854 2.8649 2.8649 3.1636 3.1636 3.2469 3.2469 3.6592 3.6592 3.8022 3.8022 3.9430 3.9430 4.2663 4.2663 6.0979 6.0979 6.2426 6.2426 8.8766 8.8766 8.9058 8.9058 10.3507 10.3507 10.3984 10.3984 11.7375 11.7375 k = 0.3913 0.4769 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2227 -17.2227 -4.3986 -4.3986 -4.3715 -4.3715 0.8730 0.8730 1.0351 1.0351 1.5288 1.5288 1.9026 1.9026 2.0415 2.0415 2.1773 2.1773 2.6723 2.6723 2.8545 2.8545 3.1714 3.1714 3.2458 3.2458 3.6500 3.6500 3.8028 3.8028 3.8651 3.8651 4.1901 4.1901 6.1138 6.1138 6.2651 6.2651 8.8755 8.8755 8.9041 8.9041 10.4793 10.4793 10.5557 10.5557 11.6674 11.6674 k = 0.3841 0.4895 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2227 -17.2227 -4.3938 -4.3938 -4.3656 -4.3656 0.8728 0.8728 1.0434 1.0434 1.5280 1.5280 1.9022 1.9022 2.0797 2.0797 2.1883 2.1883 2.6605 2.6605 2.8433 2.8433 3.1803 3.1803 3.2416 3.2416 3.6410 3.6410 3.7957 3.7957 3.8034 3.8034 4.1182 4.1182 6.1292 6.1292 6.2863 6.2863 8.8733 8.8733 8.9017 8.9017 10.5995 10.5995 10.7078 10.7078 11.6042 11.6042 k = 0.3768 0.5020 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2227 -17.2227 -4.3893 -4.3893 -4.3602 -4.3602 0.8729 0.8729 1.0515 1.0515 1.5267 1.5267 1.9014 1.9014 2.1178 2.1178 2.1982 2.1982 2.6501 2.6501 2.8312 2.8312 3.1901 3.1901 3.2340 3.2340 3.6323 3.6323 3.7366 3.7366 3.8041 3.8041 4.0515 4.0515 6.1437 6.1437 6.3061 6.3061 8.8702 8.8702 8.8986 8.8986 10.7086 10.7086 10.8508 10.8508 11.5483 11.5483 k = 0.3696 0.5146 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2228 -17.2228 -4.3852 -4.3852 -4.3553 -4.3553 0.8732 0.8732 1.0592 1.0592 1.5249 1.5249 1.9005 1.9005 2.1543 2.1543 2.2068 2.2068 2.6413 2.6413 2.8187 2.8187 3.2004 3.2004 3.2232 3.2232 3.6239 3.6239 3.6889 3.6889 3.8048 3.8048 3.9913 3.9913 6.1570 6.1570 6.3239 6.3239 8.8666 8.8666 8.8951 8.8951 10.8042 10.8042 10.9801 10.9801 11.5003 11.5003 k = 0.3623 0.5271 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2305 -17.2305 -17.2228 -17.2228 -17.2228 -17.2228 -4.3817 -4.3817 -4.3510 -4.3510 0.8737 0.8737 1.0662 1.0662 1.5228 1.5228 1.8996 1.8996 2.1879 2.1879 2.2140 2.2140 2.6341 2.6341 2.8060 2.8060 3.2101 3.2101 3.2106 3.2106 3.6154 3.6154 3.6533 3.6533 3.8058 3.8058 3.9387 3.9387 6.1687 6.1687 6.3393 6.3393 8.8626 8.8626 8.8914 8.8914 10.8843 10.8843 11.0910 11.0910 11.4609 11.4609 k = 0.3551 0.5397 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2228 -17.2228 -4.3787 -4.3787 -4.3475 -4.3475 0.8742 0.8742 1.0722 1.0722 1.5206 1.5206 1.8989 1.8989 2.2169 2.2169 2.2196 2.2196 2.6287 2.6287 2.7939 2.7939 3.1964 3.1964 3.2200 3.2200 3.6065 3.6065 3.6301 3.6301 3.8071 3.8071 3.8950 3.8950 6.1784 6.1784 6.3520 6.3520 8.8588 8.8588 8.8878 8.8878 10.9471 10.9471 11.1783 11.1783 11.4311 11.4311 k = 0.3478 0.5522 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3764 -4.3764 -4.3449 -4.3449 0.8747 0.8747 1.0769 1.0769 1.5186 1.5186 1.8983 1.8983 2.2236 2.2236 2.2396 2.2396 2.6249 2.6249 2.7837 2.7837 3.1844 3.1844 3.2275 3.2275 3.5976 3.5976 3.6174 3.6174 3.8091 3.8091 3.8613 3.8613 6.1859 6.1859 6.3616 6.3616 8.8554 8.8554 8.8847 8.8847 10.9916 10.9916 11.2379 11.2379 11.4125 11.4125 k = 0.3406 0.5648 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3750 -4.3750 -4.3432 -4.3432 0.8751 0.8751 1.0800 1.0800 1.5171 1.5171 1.8980 1.8980 2.2259 2.2259 2.2541 2.2541 2.6227 2.6227 2.7768 2.7768 3.1761 3.1761 3.2324 3.2324 3.5917 3.5917 3.6111 3.6111 3.8122 3.8122 3.8386 3.8386 6.1905 6.1905 6.3675 6.3675 8.8530 8.8530 8.8825 8.8825 11.0174 11.0174 11.2685 11.2685 11.4054 11.4054 k = 0.3333 0.5774 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3745 -4.3745 -4.3426 -4.3426 0.8752 0.8752 1.0810 1.0810 1.5166 1.5166 1.8979 1.8979 2.2267 2.2267 2.2590 2.2590 2.6220 2.6220 2.7743 2.7743 3.1732 3.1732 3.2340 3.2340 3.5899 3.5899 3.6090 3.6090 3.8149 3.8149 3.8292 3.8292 6.1922 6.1922 6.3696 6.3696 8.8521 8.8521 8.8817 8.8817 11.0256 11.0256 11.2765 11.2765 11.4049 11.4049 k = 0.3333 0.5774 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3745 -4.3745 -4.3426 -4.3426 0.8752 0.8752 1.0810 1.0810 1.5166 1.5166 1.8979 1.8979 2.2267 2.2267 2.2590 2.2590 2.6220 2.6220 2.7743 2.7743 3.1732 3.1732 3.2340 3.2340 3.5899 3.5899 3.6090 3.6090 3.8149 3.8149 3.8292 3.8292 6.1922 6.1922 6.3696 6.3696 8.8521 8.8521 8.8817 8.8817 11.0256 11.0256 11.2765 11.2765 11.4049 11.4049 k = 0.3261 0.5648 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3750 -4.3750 -4.3432 -4.3432 0.8751 0.8751 1.0799 1.0799 1.5172 1.5172 1.8980 1.8980 2.2259 2.2259 2.2541 2.2541 2.6227 2.6227 2.7768 2.7768 3.1763 3.1763 3.2325 3.2325 3.5909 3.5909 3.6118 3.6118 3.8126 3.8126 3.8382 3.8382 6.1904 6.1904 6.3674 6.3674 8.8532 8.8532 8.8827 8.8827 11.0184 11.0184 11.2711 11.2711 11.4039 11.4039 k = 0.3188 0.5522 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3767 -4.3767 -4.3451 -4.3451 0.8745 0.8745 1.0764 1.0764 1.5193 1.5193 1.8983 1.8983 2.2238 2.2238 2.2402 2.2402 2.6246 2.6246 2.7841 2.7841 3.1856 3.1856 3.2284 3.2284 3.5924 3.5924 3.6214 3.6214 3.8106 3.8106 3.8596 3.8596 6.1851 6.1851 6.3608 6.3608 8.8568 8.8568 8.8859 8.8859 10.9988 10.9988 11.2565 11.2565 11.4016 11.4016 k = 0.3116 0.5397 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2228 -17.2228 -4.3795 -4.3795 -4.3483 -4.3483 0.8736 0.8736 1.0705 1.0705 1.5229 1.5229 1.8989 1.8989 2.2188 2.2188 2.2204 2.2204 2.6277 2.6277 2.7951 2.7951 3.2006 3.2006 3.2229 3.2229 3.5940 3.5940 3.6386 3.6386 3.8102 3.8102 3.8912 3.8912 6.1758 6.1758 6.3494 6.3494 8.8633 8.8633 8.8920 8.8920 10.9700 10.9700 11.2323 11.2323 11.4013 11.4013 k = 0.3043 0.5271 0.2692 ( 9586 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2228 -17.2228 -4.3836 -4.3836 -4.3529 -4.3529 0.8721 0.8721 1.0624 1.0624 1.5279 1.5279 1.8996 1.8996 2.1918 2.1918 2.2157 2.2157 2.6320 2.6320 2.8087 2.8087 3.2173 3.2173 3.2201 3.2201 3.5960 3.5960 3.6634 3.6634 3.8106 3.8106 3.9324 3.9324 6.1626 6.1626 6.3332 6.3332 8.8731 8.8731 8.9012 8.9012 10.9341 10.9341 11.1978 11.1978 11.4062 11.4062 k = 0.2971 0.5146 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2305 -17.2305 -17.2228 -17.2228 -17.2227 -17.2227 -4.3891 -4.3891 -4.3590 -4.3590 0.8703 0.8703 1.0523 1.0523 1.5343 1.5343 1.9006 1.9006 2.1611 2.1611 2.2098 2.2098 2.6376 2.6376 2.8241 2.8241 3.2129 3.2129 3.2429 3.2429 3.5989 3.5989 3.6961 3.6961 3.8117 3.8117 3.9823 3.9823 6.1452 6.1452 6.3122 6.3122 8.8867 8.8867 8.9139 8.9139 10.8930 10.8930 11.1537 11.1537 11.4167 11.4167 k = 0.2899 0.5020 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2227 -17.2227 -4.3959 -4.3959 -4.3666 -4.3666 0.8679 0.8679 1.0405 1.0405 1.5416 1.5416 1.9019 1.9019 2.1282 2.1282 2.2028 2.2028 2.6443 2.6443 2.8405 2.8405 3.2108 3.2108 3.2677 3.2677 3.6027 3.6027 3.7370 3.7370 3.8133 3.8133 4.0398 4.0398 6.1237 6.1237 6.2863 6.2863 8.9041 8.9041 8.9304 8.9304 10.8477 10.8477 11.1020 11.1020 11.4320 11.4320 k = 0.2826 0.4895 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2228 -17.2228 -17.2227 -17.2227 -4.4041 -4.4041 -4.3757 -4.3757 0.8652 0.8652 1.0275 1.0275 1.5495 1.5495 1.9033 1.9033 2.0942 2.0942 2.1947 2.1947 2.6525 2.6525 2.8576 2.8576 3.2118 3.2118 3.2936 3.2936 3.6076 3.6076 3.7863 3.7863 3.8153 3.8153 4.1041 4.1041 6.0981 6.0981 6.2559 6.2559 8.9256 8.9256 8.9509 8.9509 10.7992 10.7992 11.0443 11.0443 11.4502 11.4502 k = 0.2754 0.4769 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4053 -17.4053 -17.2306 -17.2306 -17.2306 -17.2306 -17.2227 -17.2227 -17.2227 -17.2227 -4.4138 -4.4138 -4.3864 -4.3864 0.8621 0.8621 1.0137 1.0137 1.5576 1.5576 1.9051 1.9051 2.0597 2.0597 2.1857 2.1857 2.6620 2.6620 2.8750 2.8750 3.2165 3.2165 3.3201 3.3201 3.6135 3.6135 3.8179 3.8179 3.8440 3.8440 4.1744 4.1744 6.0686 6.0686 6.2210 6.2210 8.9512 8.9512 8.9756 8.9756 10.7479 10.7479 10.9820 10.9820 11.4693 11.4693 k = 0.2681 0.4644 0.2692 ( 9556 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4052 -17.4052 -17.2305 -17.2305 -17.2305 -17.2305 -17.2226 -17.2226 -17.2226 -17.2226 -4.4249 -4.4249 -4.3986 -4.3986 0.8587 0.8587 0.9994 0.9994 1.5656 1.5656 1.9071 1.9071 2.0255 2.0255 2.1758 2.1758 2.6730 2.6730 2.8926 2.8926 3.2253 3.2253 3.3470 3.3470 3.6208 3.6208 3.8212 3.8212 3.9095 3.9095 4.2500 4.2500 6.0353 6.0353 6.1820 6.1820 8.9809 8.9809 9.0045 9.0045 10.6943 10.6943 10.9160 10.9160 11.4871 11.4871 k = 0.2609 0.4518 0.2692 ( 9548 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4052 -17.4052 -17.2305 -17.2305 -17.2305 -17.2305 -17.2226 -17.2226 -17.2225 -17.2225 -4.4375 -4.4375 -4.4122 -4.4122 0.8552 0.8552 0.9849 0.9849 1.5730 1.5730 1.9092 1.9092 1.9919 1.9919 2.1652 2.1652 2.6854 2.6854 2.9100 2.9100 3.2384 3.2384 3.3746 3.3746 3.6297 3.6297 3.8253 3.8253 3.9823 3.9823 4.3304 4.3304 5.9986 5.9986 6.1392 6.1392 9.0145 9.0145 9.0377 9.0377 10.6387 10.6387 10.8467 10.8467 11.5011 11.5011 k = 0.2536 0.4393 0.2692 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4052 -17.4052 -17.2305 -17.2305 -17.2305 -17.2305 -17.2225 -17.2225 -17.2225 -17.2225 -4.4514 -4.4514 -4.4274 -4.4274 0.8517 0.8517 0.9708 0.9708 1.5796 1.5796 1.9111 1.9111 1.9597 1.9597 2.1541 2.1541 2.6991 2.6991 2.9269 2.9269 3.2558 3.2558 3.4028 3.4028 3.6408 3.6408 3.8305 3.8305 4.0615 4.0615 4.4152 4.4152 5.9585 5.9585 6.0930 6.0930 9.0519 9.0519 9.0749 9.0749 10.5813 10.5813 10.7747 10.7747 11.5090 11.5090 k = 0.2464 0.4267 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4052 -17.4052 -17.2306 -17.2306 -17.2305 -17.2305 -17.2225 -17.2225 -17.2225 -17.2225 -4.4667 -4.4667 -4.4440 -4.4440 0.8482 0.8482 0.9570 0.9570 1.5850 1.5850 1.9089 1.9089 1.9326 1.9326 2.1428 2.1428 2.7139 2.7139 2.9431 2.9431 3.2775 3.2775 3.4314 3.4314 3.6551 3.6551 3.8371 3.8371 4.1466 4.1466 4.5040 4.5040 5.9156 5.9156 6.0438 6.0438 9.0927 9.0927 9.1162 9.1162 10.5220 10.5220 10.7001 10.7001 11.5087 11.5087 k = 0.2391 0.4142 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2306 -17.2306 -17.2306 -17.2306 -17.2225 -17.2225 -17.2224 -17.2224 -4.4833 -4.4833 -4.4619 -4.4619 0.8449 0.8449 0.9440 0.9440 1.5890 1.5890 1.8883 1.8883 1.9254 1.9254 2.1315 2.1315 2.7297 2.7297 2.9582 2.9582 3.3032 3.3032 3.4597 3.4597 3.6739 3.6739 3.8455 3.8455 4.2367 4.2367 4.5964 4.5964 5.8701 5.8701 5.9921 5.9921 9.1367 9.1367 9.1613 9.1613 10.4611 10.4611 10.6232 10.6232 11.4992 11.4992 k = 0.2319 0.4016 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4052 -17.4052 -17.2305 -17.2305 -17.2305 -17.2305 -17.2224 -17.2224 -17.2224 -17.2224 -4.5012 -4.5012 -4.4811 -4.4811 0.8419 0.8419 0.9318 0.9318 1.5915 1.5915 1.8592 1.8592 1.9279 1.9279 2.1206 2.1206 2.7463 2.7463 2.9720 2.9720 3.3323 3.3323 3.4861 3.4861 3.6992 3.6992 3.8563 3.8563 4.3314 4.3314 4.6920 4.6920 5.8224 5.8224 5.9383 5.9383 9.1834 9.1834 9.2099 9.2099 10.3985 10.3985 10.5442 10.5442 11.4810 11.4810 k = 0.2246 0.3891 0.2692 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4052 -17.4052 -17.4051 -17.4051 -17.2305 -17.2305 -17.2305 -17.2305 -17.2223 -17.2223 -17.2223 -17.2223 -4.5202 -4.5202 -4.5014 -4.5014 0.8392 0.8392 0.9206 0.9206 1.5923 1.5923 1.8297 1.8297 1.9323 1.9323 2.1102 2.1102 2.7633 2.7633 2.9845 2.9845 3.3641 3.3641 3.5093 3.5093 3.7326 3.7326 3.8704 3.8704 4.4301 4.4301 4.7905 4.7905 5.7729 5.7729 5.8830 5.8830 9.2322 9.2322 9.2618 9.2618 10.3341 10.3341 10.4635 10.4635 11.4557 11.4557 k = 0.2174 0.3765 0.2692 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2305 -17.2305 -17.2305 -17.2305 -17.2222 -17.2222 -17.2222 -17.2222 -4.5403 -4.5403 -4.5229 -4.5229 0.8369 0.8369 0.9104 0.9104 1.5915 1.5915 1.8007 1.8007 1.9376 1.9376 2.1006 2.1006 2.7807 2.7807 2.9956 2.9956 3.3975 3.3975 3.5283 3.5283 3.7752 3.7752 3.8887 3.8887 4.5323 4.5323 4.8916 4.8916 5.7221 5.7221 5.8267 5.8267 9.2826 9.2826 9.3167 9.3167 10.2681 10.2681 10.3816 10.3816 11.4254 11.4254 k = 0.2101 0.3640 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4051 -17.4051 -17.2305 -17.2305 -17.2305 -17.2305 -17.2222 -17.2222 -17.2221 -17.2221 -4.5614 -4.5614 -4.5453 -4.5453 0.8351 0.8351 0.9012 0.9012 1.5890 1.5890 1.7724 1.7724 1.9435 1.9435 2.0920 2.0920 2.7983 2.7983 3.0055 3.0055 3.4312 3.4312 3.5430 3.5430 3.8270 3.8270 3.9125 3.9125 4.6377 4.6377 4.9946 4.9946 5.6702 5.6702 5.7700 5.7700 9.3335 9.3335 9.3741 9.3741 10.2004 10.2004 10.2992 10.2992 11.3927 11.3927 k = 0.2029 0.3514 0.2692 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4051 -17.4051 -17.4050 -17.4050 -17.2305 -17.2305 -17.2305 -17.2305 -17.2221 -17.2221 -17.2221 -17.2221 -4.5833 -4.5833 -4.5685 -4.5685 0.8337 0.8337 0.8931 0.8931 1.5849 1.5849 1.7451 1.7451 1.9500 1.9500 2.0846 2.0846 2.8158 2.8158 3.0143 3.0143 3.4636 3.4636 3.5541 3.5541 3.8871 3.8871 3.9430 3.9430 4.7458 4.7458 5.0989 5.0989 5.6179 5.6179 5.7140 5.7140 9.3835 9.3835 9.4336 9.4336 10.1314 10.1314 10.2178 10.2178 11.3595 11.3595 k = 0.1957 0.3389 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4050 -17.4050 -17.4050 -17.4050 -17.2305 -17.2305 -17.2305 -17.2305 -17.2220 -17.2220 -17.2220 -17.2220 -4.6059 -4.6059 -4.5924 -4.5924 0.8328 0.8328 0.8860 0.8860 1.5795 1.5795 1.7187 1.7187 1.9570 1.9570 2.0784 2.0784 2.8334 2.8334 3.0222 3.0222 3.4931 3.4931 3.5622 3.5622 3.9545 3.9545 3.9814 3.9814 4.8563 4.8563 5.2028 5.2028 5.5655 5.5655 5.6602 5.6602 9.4306 9.4306 9.4942 9.4942 10.0615 10.0615 10.1393 10.1393 11.3275 11.3275 k = 0.1884 0.3263 0.2692 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4050 -17.4050 -17.4050 -17.4050 -17.2305 -17.2305 -17.2305 -17.2305 -17.2219 -17.2219 -17.2219 -17.2219 -4.6292 -4.6292 -4.6169 -4.6169 0.8323 0.8323 0.8799 0.8799 1.5728 1.5728 1.6934 1.6934 1.9646 1.9646 2.0735 2.0735 2.8509 2.8509 3.0293 3.0293 3.5188 3.5188 3.5682 3.5682 4.0281 4.0281 4.0284 4.0284 4.9688 4.9688 5.3024 5.3024 5.5138 5.5138 5.6131 5.6131 9.4711 9.4711 9.5545 9.5545 9.9917 9.9917 10.0674 10.0674 11.2979 11.2979 k = 0.1812 0.3138 0.2692 ( 9560 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2305 -17.2305 -17.2305 -17.2305 -17.2218 -17.2218 -17.2218 -17.2218 -4.6529 -4.6529 -4.6418 -4.6418 0.8323 0.8323 0.8746 0.8746 1.5651 1.5651 1.6692 1.6692 1.9726 1.9726 2.0700 2.0700 2.8683 2.8683 3.0359 3.0359 3.5398 3.5398 3.5724 3.5724 4.0843 4.0843 4.1067 4.1067 5.0826 5.0826 5.3826 5.3826 5.4636 5.4636 5.5877 5.5877 9.4989 9.4989 9.6112 9.6112 9.9253 9.9253 10.0081 10.0081 11.2714 11.2714 k = 0.1739 0.3012 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2305 -17.2305 -17.2304 -17.2304 -17.2217 -17.2217 -17.2217 -17.2217 -4.6770 -4.6770 -4.6671 -4.6671 0.8325 0.8325 0.8700 0.8700 1.5566 1.5566 1.6461 1.6461 1.9810 1.9810 2.0677 2.0677 2.8857 2.8857 3.0422 3.0422 3.5563 3.5563 3.5751 3.5751 4.1485 4.1485 4.1894 4.1894 5.1959 5.1959 5.4063 5.4063 5.4170 5.4170 5.6216 5.6216 9.5052 9.5052 9.6538 9.6538 9.8724 9.8724 9.9702 9.9702 11.2488 11.2488 k = 0.1667 0.2887 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4049 -17.4049 -17.4049 -17.4049 -17.2304 -17.2304 -17.2304 -17.2304 -17.2217 -17.2217 -17.2217 -17.2217 -4.7013 -4.7013 -4.6924 -4.6924 0.8330 0.8330 0.8661 0.8661 1.5477 1.5477 1.6243 1.6243 1.9897 1.9897 2.0666 2.0666 2.9030 2.9030 3.0482 3.0482 3.5686 3.5686 3.5766 3.5766 4.2198 4.2198 4.2749 4.2749 5.2965 5.2965 5.3794 5.3794 5.3872 5.3872 5.7092 5.7092 9.4833 9.4833 9.6557 9.6557 9.8592 9.8592 9.9604 9.9604 11.2303 11.2303 k = 0.1594 0.2761 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4048 -17.4048 -17.4048 -17.4048 -17.2304 -17.2304 -17.2304 -17.2304 -17.2216 -17.2216 -17.2216 -17.2216 -4.7257 -4.7257 -4.7179 -4.7179 0.8337 0.8337 0.8628 0.8628 1.5386 1.5386 1.6039 1.6039 1.9988 1.9988 2.0666 2.0666 2.9202 2.9202 3.0542 3.0542 3.5771 3.5771 3.5771 3.5771 4.2966 4.2966 4.3618 4.3618 5.3061 5.3061 5.3384 5.3384 5.4532 5.4532 5.8147 5.8147 9.4344 9.4344 9.6080 9.6080 9.8946 9.8946 9.9773 9.9773 11.2163 11.2163 k = 0.1522 0.2636 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4048 -17.4048 -17.4048 -17.4048 -17.2304 -17.2304 -17.2304 -17.2304 -17.2215 -17.2215 -17.2215 -17.2215 -4.7501 -4.7501 -4.7432 -4.7432 0.8344 0.8344 0.8598 0.8598 1.5295 1.5295 1.5849 1.5849 2.0081 2.0081 2.0676 2.0676 2.9375 2.9375 3.0604 3.0604 3.5766 3.5766 3.5825 3.5825 4.3770 4.3770 4.4478 4.4478 5.2749 5.2749 5.2965 5.2965 5.5666 5.5666 5.9259 5.9259 9.3667 9.3667 9.5372 9.5372 9.9517 9.9517 10.0126 10.0126 11.2069 11.2069 k = 0.1449 0.2510 0.2692 ( 9556 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2214 -17.2214 -17.2214 -17.2214 -4.7742 -4.7742 -4.7682 -4.7682 0.8351 0.8351 0.8571 0.8571 1.5206 1.5206 1.5673 1.5673 2.0175 2.0175 2.0695 2.0695 2.9549 2.9549 3.0668 3.0668 3.5751 3.5751 3.5853 3.5853 4.4581 4.4581 4.5298 4.5298 5.2482 5.2482 5.2591 5.2591 5.6849 5.6849 6.0391 6.0391 9.2876 9.2876 9.4575 9.4575 10.0160 10.0160 10.0588 10.0588 11.2023 11.2023 k = 0.1377 0.2385 0.2692 ( 9566 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2213 -17.2213 -17.2213 -17.2213 -4.7981 -4.7981 -4.7929 -4.7929 0.8357 0.8357 0.8546 0.8546 1.5121 1.5121 1.5513 1.5513 2.0271 2.0271 2.0722 2.0722 2.9724 2.9724 3.0736 3.0736 3.5728 3.5728 3.5858 3.5858 4.5361 4.5361 4.6030 4.6030 5.2308 5.2308 5.2339 5.2339 5.8042 5.8042 6.1528 6.1528 9.2021 9.2021 9.3733 9.3733 10.0828 10.0828 10.1108 10.1108 11.2024 11.2024 k = 0.1304 0.2259 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4047 -17.4047 -17.4047 -17.4047 -17.2304 -17.2304 -17.2304 -17.2304 -17.2213 -17.2213 -17.2212 -17.2212 -4.8216 -4.8216 -4.8171 -4.8171 0.8360 0.8360 0.8521 0.8521 1.5043 1.5043 1.5370 1.5370 2.0368 2.0368 2.0755 2.0755 2.9900 2.9900 3.0809 3.0809 3.5696 3.5696 3.5844 3.5844 4.6052 4.6052 4.6608 4.6608 5.2173 5.2173 5.2393 5.2393 5.9236 5.9236 6.2661 6.2661 9.1129 9.1129 9.2863 9.2863 10.1504 10.1504 10.1657 10.1657 11.2072 11.2072 k = 0.1232 0.2134 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2212 -17.2212 -17.2212 -17.2212 -4.8444 -4.8444 -4.8406 -4.8406 0.8361 0.8361 0.8497 0.8497 1.4972 1.4972 1.5242 1.5242 2.0464 2.0464 2.0794 2.0794 3.0078 3.0078 3.0888 3.0888 3.5655 3.5655 3.5813 3.5813 4.6582 4.6582 4.6975 4.6975 5.2259 5.2259 5.2701 5.2701 6.0423 6.0423 6.3781 6.3781 9.0214 9.0214 9.1969 9.1969 10.2178 10.2178 10.2220 10.2220 11.2164 11.2164 k = 0.1159 0.2008 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2211 -17.2211 -17.2211 -17.2211 -4.8667 -4.8667 -4.8635 -4.8635 0.8358 0.8358 0.8471 0.8471 1.4910 1.4910 1.5130 1.5130 2.0559 2.0559 2.0838 2.0838 3.0258 3.0258 3.0973 3.0973 3.5604 3.5604 3.5767 3.5767 4.6892 4.6892 4.7117 4.7117 5.2622 5.2622 5.3277 5.3277 6.1600 6.1600 6.4881 6.4881 8.9287 8.9287 9.1056 9.1056 10.2786 10.2786 10.2844 10.2844 11.2297 11.2297 k = 0.1087 0.1883 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4046 -17.4046 -17.4046 -17.4046 -17.2304 -17.2304 -17.2304 -17.2304 -17.2210 -17.2210 -17.2210 -17.2210 -4.8881 -4.8881 -4.8855 -4.8855 0.8352 0.8352 0.8445 0.8445 1.4856 1.4856 1.5034 1.5034 2.0653 2.0653 2.0886 2.0886 3.0440 3.0440 3.1066 3.1066 3.5545 3.5545 3.5706 3.5706 4.6977 4.6977 4.7076 4.7076 5.3266 5.3266 5.4077 5.4077 6.2759 6.2759 6.5954 6.5954 8.8351 8.8351 9.0124 9.0124 10.3352 10.3352 10.3500 10.3500 11.2467 11.2467 k = 0.1014 0.1757 0.2692 ( 9584 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2209 -17.2209 -17.2209 -17.2209 -4.9087 -4.9087 -4.9065 -4.9065 0.8342 0.8342 0.8417 0.8417 1.4811 1.4811 1.4953 1.4953 2.0744 2.0744 2.0936 2.0936 3.0626 3.0626 3.1166 3.1166 3.5477 3.5477 3.5633 3.5633 4.6891 4.6891 4.6914 4.6914 5.4134 5.4134 5.5039 5.5039 6.3896 6.3896 6.6994 6.6994 8.7409 8.7409 8.9173 8.9173 10.3916 10.3916 10.4143 10.4143 11.2667 11.2667 k = 0.0942 0.1632 0.2692 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2209 -17.2209 -17.2209 -17.2209 -4.9282 -4.9282 -4.9265 -4.9265 0.8328 0.8328 0.8388 0.8388 1.4774 1.4774 1.4886 1.4886 2.0832 2.0832 2.0988 2.0988 3.0813 3.0813 3.1275 3.1275 3.5399 3.5399 3.5547 3.5547 4.6683 4.6683 4.6699 4.6699 5.5163 5.5163 5.6110 5.6110 6.5005 6.5005 6.7991 6.7991 8.6464 8.6464 8.8203 8.8203 10.4478 10.4478 10.4772 10.4772 11.2888 11.2888 k = 0.0870 0.1506 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4045 -17.4045 -17.4045 -17.4045 -17.2303 -17.2303 -17.2303 -17.2303 -17.2208 -17.2208 -17.2208 -17.2208 -4.9467 -4.9467 -4.9454 -4.9454 0.8311 0.8311 0.8357 0.8357 1.4746 1.4746 1.4833 1.4833 2.0916 2.0916 2.1040 2.1040 3.1004 3.1004 3.1393 3.1393 3.5312 3.5312 3.5449 3.5449 4.6417 4.6417 4.6449 4.6449 5.6300 5.6300 5.7254 5.7254 6.6079 6.6079 6.8938 6.8938 8.5514 8.5514 8.7211 8.7211 10.5041 10.5041 10.5389 10.5389 11.3120 11.3120 k = 0.0797 0.1381 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4044 -17.4044 -17.4044 -17.4044 -17.2303 -17.2303 -17.2303 -17.2303 -17.2207 -17.2207 -17.2207 -17.2207 -4.9641 -4.9641 -4.9630 -4.9630 0.8290 0.8290 0.8326 0.8326 1.4726 1.4726 1.4791 1.4791 2.0995 2.0995 2.1092 2.1092 3.1198 3.1198 3.1520 3.1520 3.5214 3.5214 3.5339 3.5339 4.6138 4.6138 4.6174 4.6174 5.7511 5.7511 5.8447 5.8447 6.7112 6.7112 6.9827 6.9827 8.4559 8.4559 8.6197 8.6197 10.5607 10.5607 10.5993 10.5993 11.3352 11.3352 k = 0.0725 0.1255 0.2692 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4044 -17.4044 -17.4044 -17.4044 -17.2303 -17.2303 -17.2303 -17.2303 -17.2207 -17.2207 -17.2207 -17.2207 -4.9802 -4.9802 -4.9794 -4.9794 0.8268 0.8268 0.8295 0.8295 1.4712 1.4712 1.4761 1.4761 2.1070 2.1070 2.1144 2.1144 3.1394 3.1394 3.1656 3.1656 3.5107 3.5107 3.5218 3.5218 4.5860 4.5860 4.5893 4.5893 5.8776 5.8776 5.9673 5.9673 6.8099 6.8099 7.0649 7.0649 8.3598 8.3598 8.5159 8.5159 10.6180 10.6180 10.6585 10.6585 11.3570 11.3570 k = 0.0652 0.1130 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2303 -17.2303 -17.2303 -17.2303 -17.2206 -17.2206 -17.2206 -17.2206 -4.9950 -4.9950 -4.9944 -4.9944 0.8244 0.8244 0.8263 0.8263 1.4704 1.4704 1.4739 1.4739 2.1139 2.1139 2.1193 2.1193 3.1592 3.1592 3.1801 3.1801 3.4989 3.4989 3.5086 3.5086 4.5592 4.5592 4.5620 4.5620 6.0078 6.0078 6.0921 6.0921 6.9030 6.9030 7.1397 7.1397 8.2632 8.2632 8.4096 8.4096 10.6760 10.6760 10.7168 10.7168 11.3761 11.3761 k = 0.0580 0.1004 0.2692 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2303 -17.2303 -17.2303 -17.2303 -17.2205 -17.2205 -17.2205 -17.2205 -5.0084 -5.0084 -5.0080 -5.0080 0.8220 0.8220 0.8233 0.8233 1.4701 1.4701 1.4725 1.4725 2.1201 2.1201 2.1240 2.1240 3.1793 3.1793 3.1954 3.1954 3.4862 3.4862 3.4943 3.4943 4.5341 4.5341 4.5362 4.5362 6.1406 6.1406 6.2180 6.2180 6.9901 6.9901 7.2060 7.2060 8.1658 8.1658 8.3008 8.3008 10.7350 10.7350 10.7739 10.7739 11.3910 11.3910 k = 0.0507 0.0879 0.2692 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2303 -17.2303 -17.2303 -17.2303 -17.2205 -17.2205 -17.2205 -17.2205 -5.0204 -5.0204 -5.0201 -5.0201 0.8196 0.8196 0.8205 0.8205 1.4701 1.4701 1.4717 1.4717 2.1257 2.1257 2.1283 2.1283 3.1995 3.1995 3.2116 3.2116 3.4725 3.4725 3.4791 3.4791 4.5111 4.5111 4.5126 4.5126 6.2752 6.2752 6.3443 6.3443 7.0702 7.0702 7.2632 7.2632 8.0678 8.0678 8.1896 8.1896 10.7945 10.7945 10.8298 10.8298 11.4001 11.4001 k = 0.0435 0.0753 0.2692 ( 9566 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0309 -5.0309 -5.0307 -5.0307 0.8173 0.8173 0.8179 0.8179 1.4703 1.4703 1.4713 1.4713 2.1306 2.1306 2.1323 2.1323 3.2198 3.2198 3.2284 3.2284 3.4579 3.4579 3.4630 3.4630 4.4906 4.4906 4.4916 4.4916 6.4105 6.4105 6.4702 6.4702 7.1427 7.1427 7.3103 7.3103 7.9696 7.9696 8.0763 8.0763 10.8539 10.8539 10.8839 10.8839 11.4021 11.4021 k = 0.0362 0.0628 0.2692 ( 9574 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0399 -5.0399 -5.0398 -5.0398 0.8152 0.8152 0.8155 0.8155 1.4707 1.4707 1.4713 1.4713 2.1348 2.1348 2.1358 2.1358 3.2400 3.2400 3.2458 3.2458 3.4425 3.4425 3.4462 3.4462 4.4729 4.4729 4.4735 4.4735 6.5455 6.5455 6.5946 6.5946 7.2065 7.2065 7.3460 7.3460 7.8720 7.8720 7.9619 7.9619 10.9121 10.9121 10.9355 10.9355 11.3964 11.3964 k = 0.0290 0.0502 0.2692 ( 9570 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2204 -17.2204 -17.2204 -17.2204 -5.0473 -5.0473 -5.0472 -5.0472 0.8134 0.8134 0.8135 0.8135 1.4712 1.4712 1.4714 1.4714 2.1382 2.1382 2.1387 2.1387 3.2600 3.2600 3.2635 3.2635 3.4264 3.4264 3.4289 3.4289 4.4581 4.4581 4.4584 4.4584 6.6791 6.6791 6.7167 6.7167 7.2601 7.2601 7.3687 7.3687 7.7770 7.7770 7.8478 7.8478 10.9672 10.9672 10.9833 10.9833 11.3839 11.3840 k = 0.0217 0.0377 0.2692 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0530 -5.0530 -5.0530 -5.0530 0.8119 0.8119 0.8120 0.8120 1.4716 1.4716 1.4717 1.4717 2.1409 2.1409 2.1411 2.1411 3.2794 3.2794 3.2813 3.2813 3.4101 3.4101 3.4115 3.4115 4.4465 4.4465 4.4466 4.4466 6.8091 6.8091 6.8344 6.8344 7.3010 7.3010 7.3752 7.3752 7.6890 7.6890 7.7378 7.7378 11.0166 11.0166 11.0256 11.0256 11.3672 11.3676 k = 0.0145 0.0251 0.2692 ( 9550 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0572 -5.0572 -5.0572 -5.0572 0.8108 0.8108 0.8108 0.8108 1.4719 1.4719 1.4719 1.4719 2.1428 2.1428 2.1428 2.1428 3.2976 3.2976 3.2983 3.2983 3.3942 3.3942 3.3947 3.3947 4.4381 4.4381 4.4381 4.4381 6.9314 6.9314 6.9446 6.9446 7.3233 7.3233 7.3604 7.3604 7.6166 7.6166 7.6406 7.6406 11.0564 11.0564 11.0599 11.0599 11.3500 11.3502 k = 0.0072 0.0126 0.2692 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4042 -17.4042 -17.4042 -17.4042 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0597 -5.0597 -5.0597 -5.0597 0.8101 0.8101 0.8101 0.8101 1.4721 1.4721 1.4721 1.4721 2.1439 2.1439 2.1439 2.1439 3.3125 3.3125 3.3127 3.3127 3.3805 3.3805 3.3806 3.3806 4.4330 4.4330 4.4330 4.4330 7.0344 7.0344 7.0376 7.0376 7.3179 7.3179 7.3254 7.3254 7.5698 7.5698 7.5742 7.5742 11.0826 11.0826 11.0831 11.0831 11.3381 11.3382 k = 0.0000 0.0000 0.2692 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4043 -17.4043 -17.4043 -17.4043 -17.2302 -17.2302 -17.2302 -17.2302 -17.2203 -17.2203 -17.2203 -17.2203 -5.0605 -5.0605 -5.0605 -5.0605 0.8099 0.8099 0.8099 0.8099 1.4722 1.4722 1.4722 1.4722 2.1443 2.1443 2.1443 2.1443 3.3191 3.3191 3.3191 3.3191 3.3742 3.3742 3.3742 3.3742 4.4313 4.4313 4.4313 4.4313 7.0818 7.0818 7.0818 7.0818 7.3017 7.3017 7.3017 7.3017 7.5534 7.5534 7.5534 7.5534 11.0916 11.0916 11.0916 11.0916 11.3338 11.3338 k = 0.5000 0.2887 0.2692 ( 9592 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4053 -17.4053 -17.4053 -17.4053 -17.2307 -17.2307 -17.2307 -17.2307 -17.2225 -17.2225 -17.2225 -17.2225 -4.4434 -4.4434 -4.4434 -4.4434 0.9271 0.9271 0.9271 0.9271 1.5781 1.5781 1.5781 1.5781 2.0001 2.0001 2.0001 2.0001 2.8874 2.8874 2.8874 2.8874 3.1581 3.1581 3.1581 3.1581 3.7704 3.7704 3.7704 3.7704 5.0360 5.0360 5.0360 5.0360 5.9758 5.9758 5.9758 5.9758 8.7191 8.7191 8.7191 8.7191 9.0803 9.0803 9.0803 9.0803 12.8994 12.8994 k = 0.5000 0.2887 0.2550 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4052 -17.4052 -17.2308 -17.2308 -17.2305 -17.2305 -17.2225 -17.2225 -17.2224 -17.2224 -4.4461 -4.4461 -4.4406 -4.4406 0.9198 0.9198 0.9347 0.9347 1.5781 1.5781 1.5781 1.5781 2.0001 2.0001 2.0005 2.0005 2.8830 2.8830 2.8920 2.8920 3.1548 3.1548 3.1612 3.1612 3.7621 3.7621 3.7787 3.7787 5.0250 5.0250 5.0469 5.0469 5.9281 5.9281 6.0205 6.0205 8.6867 8.6867 8.7445 8.7445 9.0781 9.0781 9.0992 9.0992 12.8192 12.8192 k = 0.5000 0.2887 0.2409 ( 9596 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4052 -17.4052 -17.2309 -17.2309 -17.2304 -17.2304 -17.2226 -17.2226 -17.2224 -17.2224 -4.4489 -4.4489 -4.4379 -4.4379 0.9128 0.9128 0.9425 0.9425 1.5781 1.5781 1.5781 1.5781 2.0004 2.0004 2.0012 2.0012 2.8787 2.8787 2.8965 2.8965 3.1514 3.1514 3.1643 3.1643 3.7539 3.7539 3.7869 3.7869 5.0141 5.0141 5.0577 5.0577 5.8781 5.8781 6.0614 6.0614 8.6531 8.6531 8.7581 8.7581 9.0905 9.0905 9.1356 9.1356 12.7395 12.7395 k = 0.5000 0.2887 0.2267 ( 9586 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4055 -17.4055 -17.4051 -17.4051 -17.2311 -17.2311 -17.2302 -17.2302 -17.2226 -17.2226 -17.2224 -17.2224 -4.4516 -4.4516 -4.4353 -4.4353 0.9061 0.9061 0.9505 0.9505 1.5781 1.5781 1.5781 1.5781 2.0009 2.0009 2.0023 2.0023 2.8745 2.8745 2.9011 2.9011 3.1480 3.1480 3.1672 3.1672 3.7457 3.7457 3.7950 3.7950 5.0033 5.0033 5.0683 5.0683 5.8265 5.8265 6.0981 6.0981 8.6226 8.6226 8.7594 8.7594 9.1124 9.1124 9.1904 9.1904 12.6621 12.6621 k = 0.5000 0.2887 0.2125 ( 9590 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4055 -17.4055 -17.4050 -17.4050 -17.2312 -17.2312 -17.2301 -17.2301 -17.2226 -17.2226 -17.2223 -17.2223 -4.4543 -4.4543 -4.4327 -4.4327 0.8999 0.8999 0.9586 0.9586 1.5781 1.5781 1.5781 1.5781 2.0018 2.0018 2.0036 2.0036 2.8704 2.8704 2.9057 2.9057 3.1446 3.1446 3.1699 3.1699 3.7376 3.7376 3.8029 3.8029 4.9927 4.9927 5.0787 5.0787 5.7741 5.7741 6.1300 6.1300 8.5976 8.5976 8.7520 8.7520 9.1386 9.1386 9.2619 9.2619 12.5889 12.5889 k = 0.5000 0.2887 0.1983 ( 9578 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4056 -17.4056 -17.4050 -17.4050 -17.2313 -17.2313 -17.2300 -17.2300 -17.2226 -17.2226 -17.2223 -17.2223 -4.4569 -4.4569 -4.4302 -4.4302 0.8940 0.8940 0.9667 0.9667 1.5781 1.5781 1.5781 1.5781 2.0030 2.0030 2.0052 2.0052 2.8665 2.8665 2.9103 2.9103 3.1412 3.1412 3.1724 3.1724 3.7297 3.7297 3.8107 3.8107 4.9823 4.9823 5.0887 5.0887 5.7216 5.7216 6.1567 6.1567 8.5794 8.5794 8.7402 8.7402 9.1661 9.1661 9.3467 9.3467 12.5211 12.5211 k = 0.5000 0.2887 0.1842 ( 9586 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4056 -17.4056 -17.4050 -17.4050 -17.2314 -17.2314 -17.2299 -17.2299 -17.2227 -17.2227 -17.2222 -17.2222 -4.4594 -4.4594 -4.4278 -4.4278 0.8886 0.8886 0.9748 0.9748 1.5780 1.5780 1.5781 1.5781 2.0043 2.0043 2.0070 2.0070 2.8628 2.8628 2.9149 2.9149 3.1378 3.1378 3.1747 3.1747 3.7220 3.7220 3.8183 3.8183 4.9723 4.9723 5.0983 5.0983 5.6697 5.6697 6.1783 6.1783 8.5680 8.5680 8.7274 8.7274 9.1930 9.1930 9.4416 9.4416 12.4604 12.4604 k = 0.5000 0.2887 0.1700 ( 9590 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4057 -17.4057 -17.4049 -17.4049 -17.2315 -17.2315 -17.2298 -17.2298 -17.2227 -17.2227 -17.2222 -17.2222 -4.4619 -4.4619 -4.4255 -4.4255 0.8836 0.8836 0.9827 0.9827 1.5780 1.5780 1.5781 1.5781 2.0059 2.0059 2.0090 2.0090 2.8593 2.8593 2.9193 2.9193 3.1345 3.1345 3.1768 3.1768 3.7145 3.7145 3.8256 3.8256 4.9626 4.9626 5.1075 5.1075 5.6190 5.6190 6.1948 6.1948 8.5624 8.5624 8.7167 8.7167 9.2180 9.2180 9.5441 9.5441 12.4080 12.4080 k = 0.5000 0.2887 0.1558 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4057 -17.4057 -17.4049 -17.4049 -17.2316 -17.2316 -17.2297 -17.2297 -17.2227 -17.2227 -17.2222 -17.2222 -4.4642 -4.4642 -4.4233 -4.4233 0.8791 0.8791 0.9905 0.9905 1.5780 1.5780 1.5781 1.5781 2.0077 2.0077 2.0111 2.0111 2.8560 2.8560 2.9236 2.9236 3.1313 3.1313 3.1786 3.1786 3.7074 3.7074 3.8326 3.8326 4.9534 4.9534 5.1162 5.1162 5.5701 5.5701 6.2066 6.2066 8.5607 8.5607 8.7107 8.7107 9.2399 9.2399 9.6524 9.6524 12.3653 12.3653 k = 0.5000 0.2887 0.1417 ( 9580 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4057 -17.4057 -17.4048 -17.4048 -17.2317 -17.2317 -17.2296 -17.2296 -17.2228 -17.2228 -17.2221 -17.2221 -4.4663 -4.4663 -4.4213 -4.4213 0.8750 0.8750 0.9979 0.9979 1.5779 1.5779 1.5781 1.5781 2.0095 2.0095 2.0133 2.0133 2.8529 2.8529 2.9278 2.9278 3.1282 3.1282 3.1803 3.1803 3.7006 3.7006 3.8392 3.8392 4.9447 4.9447 5.1243 5.1243 5.5235 5.5235 6.2141 6.2141 8.5600 8.5600 8.7126 8.7126 9.2578 9.2578 9.7647 9.7647 12.3334 12.3334 k = 0.5000 0.2887 0.1275 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4047 -17.4047 -17.2318 -17.2318 -17.2294 -17.2294 -17.2227 -17.2227 -17.2221 -17.2221 -4.4684 -4.4684 -4.4194 -4.4194 0.8713 0.8713 1.0049 1.0049 1.5779 1.5779 1.5781 1.5781 2.0114 2.0114 2.0156 2.0156 2.8501 2.8501 2.9318 2.9318 3.1253 3.1253 3.1817 3.1817 3.6943 3.6943 3.8454 3.8454 4.9367 4.9367 5.1319 5.1319 5.4797 5.4797 6.2179 6.2179 8.5578 8.5578 8.7243 8.7243 9.2706 9.2706 9.8796 9.8796 12.3134 12.3134 k = 0.5000 0.2887 0.1133 ( 9554 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4047 -17.4047 -17.2319 -17.2319 -17.2293 -17.2293 -17.2227 -17.2227 -17.2221 -17.2221 -4.4702 -4.4702 -4.4177 -4.4177 0.8681 0.8681 1.0114 1.0114 1.5778 1.5778 1.5781 1.5781 2.0133 2.0133 2.0179 2.0179 2.8475 2.8475 2.9355 2.9355 3.1226 3.1226 3.1828 3.1828 3.6885 3.6885 3.8512 3.8512 4.9292 4.9292 5.1387 5.1387 5.4393 5.4393 6.2188 6.2188 8.5531 8.5531 8.7463 8.7463 9.2778 9.2778 9.9955 9.9955 12.3063 12.3063 k = 0.5000 0.2887 0.0992 ( 9562 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4047 -17.4047 -17.2319 -17.2319 -17.2293 -17.2293 -17.2228 -17.2228 -17.2220 -17.2220 -4.4719 -4.4719 -4.4162 -4.4162 0.8652 0.8652 1.0174 1.0174 1.5778 1.5778 1.5781 1.5781 2.0152 2.0152 2.0201 2.0201 2.8452 2.8452 2.9389 2.9389 3.1201 3.1201 3.1838 3.1838 3.6832 3.6832 3.8565 3.8565 4.9225 4.9225 5.1449 5.1449 5.4026 5.4026 6.2175 6.2175 8.5465 8.5465 8.7769 8.7769 9.2786 9.2786 10.1105 10.1105 12.3128 12.3128 k = 0.5000 0.2887 0.0850 ( 9548 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4046 -17.4046 -17.2319 -17.2319 -17.2292 -17.2292 -17.2228 -17.2228 -17.2220 -17.2220 -4.4733 -4.4733 -4.4149 -4.4149 0.8628 0.8628 1.0228 1.0228 1.5777 1.5777 1.5780 1.5780 2.0169 2.0169 2.0221 2.0221 2.8432 2.8432 2.9419 2.9419 3.1179 3.1179 3.1846 3.1846 3.6785 3.6785 3.8612 3.8612 4.9166 4.9166 5.1504 5.1504 5.3699 5.3699 6.2147 6.2147 8.5391 8.5391 8.8142 8.8142 9.2728 9.2728 10.2226 10.2226 12.3332 12.3332 k = 0.5000 0.2887 0.0708 ( 9554 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4046 -17.4046 -17.2320 -17.2320 -17.2291 -17.2291 -17.2228 -17.2228 -17.2220 -17.2220 -4.4746 -4.4746 -4.4137 -4.4137 0.8608 0.8608 1.0274 1.0274 1.5777 1.5777 1.5780 1.5780 2.0185 2.0185 2.0240 2.0240 2.8414 2.8414 2.9446 2.9446 3.1160 3.1160 3.1852 3.1852 3.6744 3.6744 3.8654 3.8654 4.9115 4.9115 5.1551 5.1551 5.3417 5.3417 6.2111 6.2111 8.5318 8.5318 8.8561 8.8561 9.2604 9.2604 10.3288 10.3288 12.3677 12.3677 k = 0.5000 0.2887 0.0567 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4046 -17.4046 -17.2321 -17.2321 -17.2291 -17.2291 -17.2228 -17.2228 -17.2220 -17.2220 -4.4757 -4.4757 -4.4128 -4.4128 0.8592 0.8592 1.0313 1.0313 1.5777 1.5777 1.5780 1.5780 2.0199 2.0199 2.0256 2.0256 2.8400 2.8400 2.9469 2.9469 3.1144 3.1144 3.1856 3.1856 3.6710 3.6710 3.8688 3.8688 4.9072 4.9072 5.1590 5.1590 5.3181 5.3181 6.2073 6.2073 8.5253 8.5253 8.9005 8.9005 9.2416 9.2416 10.4259 10.4259 12.4158 12.4158 k = 0.5000 0.2887 0.0425 ( 9556 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4059 -17.4059 -17.4045 -17.4045 -17.2321 -17.2321 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4765 -4.4765 -4.4121 -4.4121 0.8579 0.8579 1.0344 1.0344 1.5776 1.5776 1.5780 1.5780 2.0210 2.0210 2.0269 2.0269 2.8388 2.8388 2.9487 2.9487 3.1131 3.1131 3.1860 3.1860 3.6684 3.6684 3.8715 3.8715 4.9038 4.9038 5.1621 5.1621 5.2996 5.2996 6.2039 6.2039 8.5198 8.5198 8.9457 8.9457 9.2174 9.2174 10.5096 10.5096 12.4765 12.4765 k = 0.5000 0.2887 0.0283 ( 9572 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4771 -4.4771 -4.4115 -4.4115 0.8570 0.8570 1.0366 1.0366 1.5776 1.5776 1.5780 1.5780 2.0218 2.0218 2.0279 2.0279 2.8380 2.8380 2.9500 2.9500 3.1122 3.1122 3.1862 3.1862 3.6665 3.6665 3.8735 3.8735 4.9014 4.9014 5.1644 5.1644 5.2861 5.2861 6.2011 6.2011 8.5158 8.5158 8.9891 8.9891 9.1894 9.1894 10.5748 10.5748 12.5131 12.5131 k = 0.5000 0.2887 0.0142 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4045 -17.4045 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4774 -4.4774 -4.4112 -4.4112 0.8565 0.8565 1.0380 1.0380 1.5776 1.5776 1.5780 1.5780 2.0223 2.0223 2.0284 2.0284 2.8375 2.8375 2.9508 2.9508 3.1117 3.1117 3.1863 3.1863 3.6653 3.6653 3.8747 3.8747 4.8999 4.8999 5.1658 5.1658 5.2780 5.2780 6.1993 6.1993 8.5134 8.5134 9.0259 9.0259 9.1620 9.1620 10.6166 10.6166 12.4724 12.4724 k = 0.5000 0.2887-0.0000 ( 9568 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4060 -17.4060 -17.4046 -17.4046 -17.2322 -17.2322 -17.2290 -17.2290 -17.2228 -17.2228 -17.2220 -17.2220 -4.4776 -4.4776 -4.4111 -4.4111 0.8563 0.8563 1.0385 1.0385 1.5776 1.5776 1.5780 1.5780 2.0224 2.0224 2.0286 2.0286 2.8374 2.8374 2.9510 2.9510 3.1115 3.1115 3.1864 3.1864 3.6649 3.6649 3.8751 3.8751 4.8994 4.8994 5.1663 5.1663 5.2752 5.2752 6.1987 6.1987 8.5125 8.5125 9.0429 9.0429 9.1482 9.1482 10.6311 10.6311 12.4580 12.4580 k = 0.3333 0.5774-0.0000 ( 9573 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3758 -4.3758 -4.3440 -4.3440 0.8925 0.8925 1.0967 1.0967 1.5171 1.5171 1.9191 1.9191 2.1960 2.1960 2.3700 2.3700 2.6054 2.6054 2.7640 2.7640 3.0119 3.0119 3.4515 3.4515 3.4944 3.4944 3.5766 3.5766 3.8191 3.8191 3.8743 3.8743 5.8097 5.8097 6.0069 6.0069 9.8896 9.8896 9.9640 9.9640 10.4398 10.4398 10.8795 10.8795 11.2114 11.2114 k = 0.3333 0.5774 0.0142 ( 9576 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3758 -4.3758 -4.3439 -4.3439 0.8924 0.8924 1.0966 1.0966 1.5171 1.5171 1.9190 1.9190 2.1961 2.1961 2.3693 2.3693 2.6055 2.6055 2.7641 2.7641 3.0126 3.0126 3.4491 3.4491 3.4964 3.4964 3.5768 3.5768 3.8191 3.8191 3.8740 3.8740 5.8119 5.8119 6.0090 6.0090 9.8803 9.8803 9.9542 9.9542 10.4427 10.4427 10.8820 10.8820 11.2141 11.2141 k = 0.3333 0.5774 0.0283 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4061 -17.4061 -17.4047 -17.4047 -17.2322 -17.2322 -17.2289 -17.2289 -17.2233 -17.2233 -17.2224 -17.2224 -4.3758 -4.3758 -4.3439 -4.3439 0.8920 0.8920 1.0963 1.0963 1.5171 1.5171 1.9185 1.9185 2.1963 2.1963 2.3672 2.3672 2.6059 2.6059 2.7645 2.7645 3.0145 3.0145 3.4429 3.4429 3.5015 3.5015 3.5774 3.5774 3.8191 3.8191 3.8731 3.8731 5.8186 5.8186 6.0151 6.0151 9.8531 9.8531 9.9256 9.9256 10.4514 10.4514 10.8888 10.8888 11.2218 11.2218 k = 0.3333 0.5774 0.0425 ( 9597 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4061 -17.4061 -17.4047 -17.4047 -17.2322 -17.2322 -17.2290 -17.2290 -17.2233 -17.2233 -17.2225 -17.2225 -4.3758 -4.3758 -4.3439 -4.3439 0.8914 0.8914 1.0958 1.0958 1.5170 1.5170 1.9178 1.9178 2.1967 2.1967 2.3637 2.3637 2.6065 2.6065 2.7651 2.7651 3.0177 3.0177 3.4344 3.4344 3.5083 3.5083 3.5784 3.5784 3.8190 3.8190 3.8716 3.8716 5.8297 5.8297 6.0252 6.0252 9.8099 9.8099 9.8801 9.8801 10.4657 10.4657 10.8991 10.8991 11.2334 11.2334 k = 0.3333 0.5774 0.0567 ( 9597 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4061 -17.4061 -17.4047 -17.4047 -17.2321 -17.2321 -17.2290 -17.2290 -17.2233 -17.2233 -17.2225 -17.2225 -4.3757 -4.3757 -4.3438 -4.3438 0.8907 0.8907 1.0951 1.0951 1.5170 1.5170 1.9168 1.9168 2.1973 2.1973 2.3590 2.3590 2.6073 2.6073 2.7658 2.7658 3.0222 3.0222 3.4244 3.4244 3.5156 3.5156 3.5798 3.5798 3.8189 3.8189 3.8696 3.8696 5.8448 5.8448 6.0392 6.0392 9.7533 9.7533 9.8206 9.8206 10.4854 10.4854 10.9116 10.9116 11.2475 11.2475 k = 0.3333 0.5774 0.0708 ( 9609 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4061 -17.4061 -17.4048 -17.4048 -17.2321 -17.2321 -17.2291 -17.2291 -17.2233 -17.2233 -17.2225 -17.2225 -4.3756 -4.3756 -4.3437 -4.3437 0.8897 0.8897 1.0942 1.0942 1.5170 1.5170 1.9156 1.9156 2.1980 2.1980 2.3533 2.3533 2.6083 2.6083 2.7667 2.7667 3.0278 3.0278 3.4134 3.4134 3.5232 3.5232 3.5815 3.5815 3.8187 3.8187 3.8671 3.8671 5.8638 5.8638 6.0567 6.0567 9.6862 9.6862 9.7503 9.7503 10.5106 10.5106 10.9251 10.9251 11.2628 11.2628 k = 0.3333 0.5774 0.0850 ( 9612 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4061 -17.4061 -17.4048 -17.4048 -17.2320 -17.2320 -17.2292 -17.2292 -17.2233 -17.2233 -17.2225 -17.2225 -4.3755 -4.3755 -4.3437 -4.3437 0.8886 0.8886 1.0932 1.0932 1.5170 1.5170 1.9141 1.9141 2.1990 2.1990 2.3466 2.3466 2.6094 2.6094 2.7677 2.7677 3.0346 3.0346 3.4017 3.4017 3.5308 3.5308 3.5835 3.5835 3.8185 3.8185 3.8642 3.8642 5.8863 5.8863 6.0776 6.0776 9.6114 9.6114 9.6720 9.6720 10.5410 10.5410 10.9387 10.9387 11.2783 11.2783 k = 0.3333 0.5774 0.0992 ( 9612 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4061 -17.4061 -17.4048 -17.4048 -17.2320 -17.2320 -17.2292 -17.2292 -17.2232 -17.2232 -17.2225 -17.2225 -4.3754 -4.3754 -4.3436 -4.3436 0.8873 0.8873 1.0921 1.0921 1.5169 1.5169 1.9126 1.9126 2.2001 2.2001 2.3393 2.3393 2.6107 2.6107 2.7686 2.7686 3.0425 3.0425 3.3893 3.3893 3.5382 3.5382 3.5858 3.5858 3.8182 3.8182 3.8610 3.8610 5.9119 5.9119 6.1014 6.1014 9.5315 9.5315 9.5885 9.5885 10.5765 10.5765 10.9518 10.9518 11.2932 11.2932 k = 0.3333 0.5774 0.1133 ( 9612 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4060 -17.4060 -17.4049 -17.4049 -17.2319 -17.2319 -17.2293 -17.2293 -17.2232 -17.2232 -17.2226 -17.2226 -4.3753 -4.3753 -4.3435 -4.3435 0.8860 0.8860 1.0908 1.0908 1.5169 1.5169 1.9109 1.9109 2.2015 2.2015 2.3314 2.3314 2.6120 2.6120 2.7695 2.7695 3.0514 3.0514 3.3763 3.3763 3.5454 3.5454 3.5882 3.5882 3.8180 3.8180 3.8575 3.8575 5.9399 5.9399 6.1276 6.1276 9.4489 9.4489 9.5023 9.5023 10.6171 10.6171 10.9639 10.9639 11.3071 11.3071 k = 0.3333 0.5774 0.1275 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4059 -17.4059 -17.4049 -17.4049 -17.2318 -17.2318 -17.2294 -17.2294 -17.2232 -17.2232 -17.2225 -17.2225 -4.3752 -4.3752 -4.3433 -4.3433 0.8846 0.8846 1.0896 1.0896 1.5168 1.5168 1.9092 1.9092 2.2030 2.2030 2.3232 2.3232 2.6134 2.6134 2.7704 2.7704 3.0613 3.0613 3.3627 3.3627 3.5523 3.5523 3.5908 3.5908 3.8177 3.8177 3.8539 3.8539 5.9699 5.9699 6.1558 6.1558 9.3656 9.3656 9.4156 9.4156 10.6627 10.6627 10.9750 10.9750 11.3197 11.3197 k = 0.3333 0.5774 0.1417 ( 9558 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4058 -17.4058 -17.4049 -17.4049 -17.2316 -17.2316 -17.2294 -17.2294 -17.2231 -17.2231 -17.2225 -17.2225 -4.3751 -4.3751 -4.3432 -4.3432 0.8832 0.8832 1.0883 1.0883 1.5168 1.5168 1.9074 1.9074 2.2049 2.2049 2.3148 2.3148 2.6147 2.6147 2.7712 2.7712 3.0720 3.0720 3.3487 3.3487 3.5588 3.5588 3.5934 3.5934 3.8173 3.8173 3.8502 3.8502 6.0010 6.0010 6.1852 6.1852 9.2836 9.2836 9.3302 9.3302 10.7132 10.7132 10.9849 10.9849 11.3311 11.3311 k = 0.3333 0.5774 0.1558 ( 9564 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4058 -17.4058 -17.4049 -17.4049 -17.2315 -17.2315 -17.2295 -17.2295 -17.2230 -17.2230 -17.2226 -17.2226 -4.3750 -4.3750 -4.3431 -4.3431 0.8818 0.8818 1.0870 1.0870 1.5168 1.5168 1.9057 1.9057 2.2070 2.2070 2.3063 2.3063 2.6161 2.6161 2.7719 2.7719 3.0835 3.0835 3.3344 3.3344 3.5649 3.5649 3.5961 3.5961 3.8169 3.8169 3.8465 3.8465 6.0326 6.0326 6.2153 6.2153 9.2046 9.2046 9.2480 9.2480 10.7684 10.7684 10.9937 10.9937 11.3411 11.3411 k = 0.3333 0.5774 0.1700 ( 9555 PWs) bands (ev): -45.3635 -45.3635 -45.3634 -45.3634 -17.4057 -17.4057 -17.4050 -17.4050 -17.2314 -17.2314 -17.2297 -17.2297 -17.2230 -17.2230 -17.2226 -17.2226 -4.3749 -4.3749 -4.3430 -4.3430 0.8804 0.8804 1.0858 1.0858 1.5167 1.5167 1.9041 1.9041 2.2093 2.2093 2.2980 2.2980 2.6173 2.6173 2.7725 2.7725 3.0957 3.0957 3.3197 3.3197 3.5705 3.5705 3.5987 3.5987 3.8166 3.8166 3.8430 3.8430 6.0637 6.0637 6.2450 6.2450 9.1302 9.1302 9.1707 9.1707 10.8281 10.8281 11.0013 11.0013 11.3498 11.3498 k = 0.3333 0.5774 0.1842 ( 9567 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4057 -17.4057 -17.4050 -17.4050 -17.2313 -17.2313 -17.2298 -17.2298 -17.2230 -17.2230 -17.2226 -17.2226 -4.3748 -4.3748 -4.3429 -4.3429 0.8792 0.8792 1.0846 1.0846 1.5167 1.5167 1.9025 1.9025 2.2120 2.2120 2.2900 2.2900 2.6185 2.6185 2.7730 2.7730 3.1084 3.1084 3.3048 3.3048 3.5754 3.5754 3.6011 3.6011 3.8162 3.8162 3.8397 3.8397 6.0935 6.0935 6.2736 6.2736 9.0619 9.0619 9.0997 9.0997 10.8921 10.8921 11.0079 11.0079 11.3574 11.3574 k = 0.3333 0.5774 0.1983 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4056 -17.4056 -17.4051 -17.4051 -17.2312 -17.2312 -17.2300 -17.2300 -17.2230 -17.2230 -17.2227 -17.2227 -4.3747 -4.3747 -4.3428 -4.3428 0.8780 0.8780 1.0836 1.0836 1.5166 1.5166 1.9012 1.9012 2.2148 2.2148 2.2824 2.2824 2.6195 2.6195 2.7734 2.7734 3.1215 3.1215 3.2899 3.2899 3.5797 3.5797 3.6034 3.6034 3.8159 3.8159 3.8367 3.8367 6.1209 6.1209 6.3001 6.3001 9.0012 9.0012 9.0367 9.0367 10.9600 10.9600 11.0133 11.0133 11.3638 11.3638 k = 0.3333 0.5774 0.2125 ( 9585 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4056 -17.4056 -17.4052 -17.4052 -17.2311 -17.2311 -17.2301 -17.2301 -17.2230 -17.2230 -17.2227 -17.2227 -4.3746 -4.3746 -4.3428 -4.3428 0.8771 0.8771 1.0827 1.0827 1.5166 1.5166 1.9000 1.9000 2.2178 2.2178 2.2753 2.2753 2.6204 2.6204 2.7737 2.7737 3.1347 3.1347 3.2751 3.2751 3.5833 3.5833 3.6053 3.6053 3.8155 3.8155 3.8341 3.8341 6.1450 6.1450 6.3236 6.3236 8.9494 8.9494 8.9828 8.9828 11.0178 11.0178 11.0314 11.0314 11.3693 11.3693 k = 0.3333 0.5774 0.2267 ( 9582 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4056 -17.4056 -17.4052 -17.4052 -17.2310 -17.2310 -17.2301 -17.2301 -17.2229 -17.2229 -17.2228 -17.2228 -4.3746 -4.3746 -4.3427 -4.3427 0.8763 0.8763 1.0820 1.0820 1.5166 1.5166 1.8991 1.8991 2.2209 2.2209 2.2690 2.2690 2.6211 2.6211 2.7740 2.7740 3.1478 3.1478 3.2609 3.2609 3.5862 3.5862 3.6069 3.6069 3.8153 3.8153 3.8321 3.8321 6.1650 6.1650 6.3430 6.3430 8.9077 8.9077 8.9395 8.9395 11.0212 11.0212 11.1053 11.1053 11.3742 11.3742 k = 0.3333 0.5774 0.2409 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4055 -17.4055 -17.4053 -17.4053 -17.2308 -17.2308 -17.2303 -17.2303 -17.2229 -17.2229 -17.2228 -17.2228 -4.3745 -4.3745 -4.3427 -4.3427 0.8757 0.8757 1.0815 1.0815 1.5166 1.5166 1.8984 1.8984 2.2237 2.2237 2.2639 2.2639 2.6216 2.6216 2.7741 2.7741 3.1598 3.1598 3.2480 3.2480 3.5883 3.5883 3.6080 3.6080 3.8151 3.8151 3.8305 3.8305 6.1798 6.1798 6.3575 6.3575 8.8771 8.8771 8.9076 8.9076 11.0236 11.0236 11.1792 11.1792 11.3795 11.3795 k = 0.3333 0.5774 0.2550 ( 9594 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4055 -17.4055 -17.4053 -17.4053 -17.2307 -17.2307 -17.2304 -17.2304 -17.2229 -17.2229 -17.2228 -17.2228 -4.3745 -4.3745 -4.3426 -4.3426 0.8754 0.8754 1.0811 1.0811 1.5166 1.5166 1.8980 1.8980 2.2258 2.2258 2.2603 2.2603 2.6219 2.6219 2.7742 2.7742 3.1693 3.1693 3.2381 3.2381 3.5895 3.5895 3.6088 3.6088 3.8150 3.8150 3.8296 3.8296 6.1891 6.1891 6.3666 6.3666 8.8584 8.8584 8.8882 8.8882 11.0251 11.0251 11.2452 11.2452 11.3888 11.3888 k = 0.3333 0.5774 0.2692 ( 9588 PWs) bands (ev): -45.3635 -45.3635 -45.3635 -45.3635 -17.4054 -17.4054 -17.4054 -17.4054 -17.2306 -17.2306 -17.2306 -17.2306 -17.2229 -17.2229 -17.2228 -17.2228 -4.3745 -4.3745 -4.3426 -4.3426 0.8752 0.8752 1.0810 1.0810 1.5166 1.5166 1.8979 1.8979 2.2267 2.2267 2.2590 2.2590 2.6220 2.6220 2.7743 2.7743 3.1732 3.1732 3.2340 3.2340 3.5899 3.5899 3.6090 3.6090 3.8149 3.8149 3.8292 3.8292 6.1922 6.1922 6.3696 6.3696 8.8521 8.8521 8.8817 8.8817 11.0256 11.0256 11.2765 11.2765 11.4049 11.4049 Writing output data file NaTeAu.save init_run : 0.45s CPU 0.63s WALL ( 1 calls) electrons : 362.48s CPU 366.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 362.47s CPU 366.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.14s WALL ( 284 calls) cegterg : 337.93s CPU 340.90s WALL ( 658 calls) Called by sum_band: Called by *egterg: h_psi : 207.39s CPU 209.39s WALL ( 10721 calls) s_psi : 11.70s CPU 11.70s WALL ( 10721 calls) g_psi : 0.67s CPU 0.71s WALL ( 9779 calls) cdiaghg : 83.15s CPU 84.20s WALL ( 10063 calls) cegterg:over : 18.71s CPU 18.80s WALL ( 9779 calls) cegterg:upda : 17.82s CPU 17.92s WALL ( 9779 calls) cegterg:last : 8.61s CPU 8.65s WALL ( 1510 calls) cdiaghg:chol : 4.64s CPU 4.86s WALL ( 10063 calls) cdiaghg:inve : 3.22s CPU 3.33s WALL ( 10063 calls) cdiaghg:para : 5.42s CPU 5.23s WALL ( 20126 calls) Called by h_psi: h_psi:vloc : 180.26s CPU 182.23s WALL ( 10721 calls) h_psi:vnl : 26.28s CPU 26.32s WALL ( 10721 calls) add_vuspsi : 13.18s CPU 13.04s WALL ( 10721 calls) General routines calbec : 13.07s CPU 13.25s WALL ( 10721 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 168.66s CPU 170.70s WALL ( 1085740 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.28s CPU 0.41s WALL ( 568 calls) Parallel routines fft_scatter : 54.14s CPU 54.93s WALL ( 1085763 calls) PWSCF : 6m30.53s CPU 6m45.88s WALL This run was terminated on: 13:40:52 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=