Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:15:52 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: ./BaAgSb.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 38 29 8 2214 1459 225 Max 39 30 10 2227 1484 233 Sum 1393 1069 313 79885 52875 8189 bravais-lattice index = 14 lattice parameter (alat) = 9.1406 a.u. unit-cell volume = 1254.8160 (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 = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.140605 celldm(2)= 1.000000 celldm(3)= 1.897250 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 1.897250 ) 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 0.527079 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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 Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ag 11.00 107.86820 Ag( 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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 ) ( 0.9486252 ) 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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0036900 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0036900 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0036900 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0036900 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0036900 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0036900 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0036900 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0036900 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0036900 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0036900 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0036900 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0036900 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0036900 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0036900 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0036900 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0036900 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0036900 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0036900 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0036900 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0036900 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0036900 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0036900 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0036900 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036900 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0036900 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0036900 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0036900 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0036900 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0036900 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0036900 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0036900 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0036900 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0036900 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0036900 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 64) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0036900 k( 65) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0036900 k( 66) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0036900 k( 67) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0036900 k( 68) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0036900 k( 69) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0036900 k( 70) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0036900 k( 73) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0036900 k( 74) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0036900 k( 75) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0036900 k( 76) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0036900 k( 77) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0036900 k( 78) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0036900 k( 79) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0036900 k( 80) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0036900 k( 81) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0036900 k( 82) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0036900 k( 83) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0036900 k( 84) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0036900 k( 85) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036900 k( 86) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0036900 k( 87) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0036900 k( 88) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0036900 k( 89) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0036900 k( 90) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0036900 k( 91) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0036900 k( 92) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0036900 k( 93) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0036900 k( 94) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0036900 k( 95) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0036900 k( 96) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0036900 k( 97) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0036900 k( 98) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0036900 k( 99) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0036900 k( 100) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0036900 k( 101) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0036900 k( 102) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0036900 k( 103) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0036900 k( 104) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0036900 k( 105) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0036900 k( 106) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0036900 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 109) = ( 0.0000000 0.0000000 0.0146411), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0292821), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0439232), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.0585643), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.0732054), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.0878464), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.1024875), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.1171286), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.1317696), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.1464107), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.1610518), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.1756929), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.1903339), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.2049750), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.2196161), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.2342571), wk = 0.0036900 k( 125) = ( 0.0000000 0.0000000 0.2488982), wk = 0.0036900 k( 126) = ( 0.0000000 0.0000000 0.2635393), wk = 0.0036900 k( 127) = ( 0.0000000 0.0000000 0.2635393), wk = 0.0036900 k( 128) = ( 0.0131579 0.0075967 0.2635393), wk = 0.0036900 k( 129) = ( 0.0263158 0.0151934 0.2635393), wk = 0.0036900 k( 130) = ( 0.0394737 0.0227901 0.2635393), wk = 0.0036900 k( 131) = ( 0.0526316 0.0303869 0.2635393), wk = 0.0036900 k( 132) = ( 0.0657895 0.0379836 0.2635393), wk = 0.0036900 k( 133) = ( 0.0789474 0.0455803 0.2635393), wk = 0.0036900 k( 134) = ( 0.0921053 0.0531770 0.2635393), wk = 0.0036900 k( 135) = ( 0.1052632 0.0607737 0.2635393), wk = 0.0036900 k( 136) = ( 0.1184210 0.0683704 0.2635393), wk = 0.0036900 k( 137) = ( 0.1315790 0.0759671 0.2635393), wk = 0.0036900 k( 138) = ( 0.1447368 0.0835639 0.2635393), wk = 0.0036900 k( 139) = ( 0.1578947 0.0911606 0.2635393), wk = 0.0036900 k( 140) = ( 0.1710526 0.0987573 0.2635393), wk = 0.0036900 k( 141) = ( 0.1842105 0.1063540 0.2635393), wk = 0.0036900 k( 142) = ( 0.1973684 0.1139507 0.2635393), wk = 0.0036900 k( 143) = ( 0.2105263 0.1215474 0.2635393), wk = 0.0036900 k( 144) = ( 0.2236842 0.1291441 0.2635393), wk = 0.0036900 k( 145) = ( 0.2368421 0.1367409 0.2635393), wk = 0.0036900 k( 146) = ( 0.2500000 0.1443376 0.2635393), wk = 0.0036900 k( 147) = ( 0.2631579 0.1519343 0.2635393), wk = 0.0036900 k( 148) = ( 0.2763158 0.1595310 0.2635393), wk = 0.0036900 k( 149) = ( 0.2894737 0.1671277 0.2635393), wk = 0.0036900 k( 150) = ( 0.3026316 0.1747244 0.2635393), wk = 0.0036900 k( 151) = ( 0.3157895 0.1823211 0.2635393), wk = 0.0036900 k( 152) = ( 0.3289474 0.1899179 0.2635393), wk = 0.0036900 k( 153) = ( 0.3421053 0.1975146 0.2635393), wk = 0.0036900 k( 154) = ( 0.3552632 0.2051113 0.2635393), wk = 0.0036900 k( 155) = ( 0.3684211 0.2127080 0.2635393), wk = 0.0036900 k( 156) = ( 0.3815789 0.2203047 0.2635393), wk = 0.0036900 k( 157) = ( 0.3947368 0.2279014 0.2635393), wk = 0.0036900 k( 158) = ( 0.4078947 0.2354981 0.2635393), wk = 0.0036900 k( 159) = ( 0.4210526 0.2430948 0.2635393), wk = 0.0036900 k( 160) = ( 0.4342105 0.2506916 0.2635393), wk = 0.0036900 k( 161) = ( 0.4473684 0.2582883 0.2635393), wk = 0.0036900 k( 162) = ( 0.4605263 0.2658850 0.2635393), wk = 0.0036900 k( 163) = ( 0.4736842 0.2734817 0.2635393), wk = 0.0036900 k( 164) = ( 0.4868421 0.2810784 0.2635393), wk = 0.0036900 k( 165) = ( 0.5000000 0.2886751 0.2635393), wk = 0.0036900 k( 166) = ( 0.5000000 0.2886751 0.2635393), wk = 0.0036900 k( 167) = ( 0.4924242 0.3017967 0.2635393), wk = 0.0036900 k( 168) = ( 0.4848485 0.3149183 0.2635393), wk = 0.0036900 k( 169) = ( 0.4772727 0.3280399 0.2635393), wk = 0.0036900 k( 170) = ( 0.4696970 0.3411615 0.2635393), wk = 0.0036900 k( 171) = ( 0.4621212 0.3542831 0.2635393), wk = 0.0036900 k( 172) = ( 0.4545455 0.3674047 0.2635393), wk = 0.0036900 k( 173) = ( 0.4469697 0.3805263 0.2635393), wk = 0.0036900 k( 174) = ( 0.4393939 0.3936479 0.2635393), wk = 0.0036900 k( 175) = ( 0.4318182 0.4067695 0.2635393), wk = 0.0036900 k( 176) = ( 0.4242424 0.4198911 0.2635393), wk = 0.0036900 k( 177) = ( 0.4166667 0.4330127 0.2635393), wk = 0.0036900 k( 178) = ( 0.4090909 0.4461343 0.2635393), wk = 0.0036900 k( 179) = ( 0.4015151 0.4592559 0.2635393), wk = 0.0036900 k( 180) = ( 0.3939394 0.4723775 0.2635393), wk = 0.0036900 k( 181) = ( 0.3863636 0.4854991 0.2635393), wk = 0.0036900 k( 182) = ( 0.3787879 0.4986207 0.2635393), wk = 0.0036900 k( 183) = ( 0.3712121 0.5117423 0.2635393), wk = 0.0036900 k( 184) = ( 0.3636364 0.5248639 0.2635393), wk = 0.0036900 k( 185) = ( 0.3560606 0.5379855 0.2635393), wk = 0.0036900 k( 186) = ( 0.3484849 0.5511071 0.2635393), wk = 0.0036900 k( 187) = ( 0.3409091 0.5642287 0.2635393), wk = 0.0036900 k( 188) = ( 0.3333333 0.5773503 0.2635393), wk = 0.0036900 k( 189) = ( 0.3333333 0.5773503 0.2635393), wk = 0.0036900 k( 190) = ( 0.3257576 0.5642287 0.2635393), wk = 0.0036900 k( 191) = ( 0.3181818 0.5511071 0.2635393), wk = 0.0036900 k( 192) = ( 0.3106061 0.5379855 0.2635393), wk = 0.0036900 k( 193) = ( 0.3030303 0.5248639 0.2635393), wk = 0.0036900 k( 194) = ( 0.2954545 0.5117423 0.2635393), wk = 0.0036900 k( 195) = ( 0.2878788 0.4986207 0.2635393), wk = 0.0036900 k( 196) = ( 0.2803030 0.4854991 0.2635393), wk = 0.0036900 k( 197) = ( 0.2727273 0.4723775 0.2635393), wk = 0.0036900 k( 198) = ( 0.2651515 0.4592559 0.2635393), wk = 0.0036900 k( 199) = ( 0.2575758 0.4461343 0.2635393), wk = 0.0036900 k( 200) = ( 0.2500000 0.4330127 0.2635393), wk = 0.0036900 k( 201) = ( 0.2424242 0.4198911 0.2635393), wk = 0.0036900 k( 202) = ( 0.2348485 0.4067695 0.2635393), wk = 0.0036900 k( 203) = ( 0.2272727 0.3936479 0.2635393), wk = 0.0036900 k( 204) = ( 0.2196970 0.3805263 0.2635393), wk = 0.0036900 k( 205) = ( 0.2121212 0.3674047 0.2635393), wk = 0.0036900 k( 206) = ( 0.2045454 0.3542831 0.2635393), wk = 0.0036900 k( 207) = ( 0.1969697 0.3411615 0.2635393), wk = 0.0036900 k( 208) = ( 0.1893939 0.3280399 0.2635393), wk = 0.0036900 k( 209) = ( 0.1818182 0.3149183 0.2635393), wk = 0.0036900 k( 210) = ( 0.1742424 0.3017967 0.2635393), wk = 0.0036900 k( 211) = ( 0.1666667 0.2886751 0.2635393), wk = 0.0036900 k( 212) = ( 0.1590909 0.2755535 0.2635393), wk = 0.0036900 k( 213) = ( 0.1515151 0.2624319 0.2635393), wk = 0.0036900 k( 214) = ( 0.1439394 0.2493103 0.2635393), wk = 0.0036900 k( 215) = ( 0.1363636 0.2361888 0.2635393), wk = 0.0036900 k( 216) = ( 0.1287879 0.2230672 0.2635393), wk = 0.0036900 k( 217) = ( 0.1212121 0.2099456 0.2635393), wk = 0.0036900 k( 218) = ( 0.1136364 0.1968239 0.2635393), wk = 0.0036900 k( 219) = ( 0.1060606 0.1837024 0.2635393), wk = 0.0036900 k( 220) = ( 0.0984848 0.1705808 0.2635393), wk = 0.0036900 k( 221) = ( 0.0909091 0.1574592 0.2635393), wk = 0.0036900 k( 222) = ( 0.0833333 0.1443376 0.2635393), wk = 0.0036900 k( 223) = ( 0.0757576 0.1312160 0.2635393), wk = 0.0036900 k( 224) = ( 0.0681818 0.1180944 0.2635393), wk = 0.0036900 k( 225) = ( 0.0606061 0.1049728 0.2635393), wk = 0.0036900 k( 226) = ( 0.0530303 0.0918512 0.2635393), wk = 0.0036900 k( 227) = ( 0.0454546 0.0787296 0.2635393), wk = 0.0036900 k( 228) = ( 0.0378788 0.0656080 0.2635393), wk = 0.0036900 k( 229) = ( 0.0303030 0.0524864 0.2635393), wk = 0.0036900 k( 230) = ( 0.0227273 0.0393648 0.2635393), wk = 0.0036900 k( 231) = ( 0.0151515 0.0262432 0.2635393), wk = 0.0036900 k( 232) = ( 0.0075758 0.0131216 0.2635393), wk = 0.0036900 k( 233) = ( 0.0000000 0.0000000 0.2635393), wk = 0.0036900 k( 234) = ( 0.5000000 0.2886751 0.2635393), wk = 0.0036900 k( 235) = ( 0.5000000 0.2886751 0.2488982), wk = 0.0036900 k( 236) = ( 0.5000000 0.2886751 0.2342571), wk = 0.0036900 k( 237) = ( 0.5000000 0.2886751 0.2196161), wk = 0.0036900 k( 238) = ( 0.5000000 0.2886751 0.2049750), wk = 0.0036900 k( 239) = ( 0.5000000 0.2886751 0.1903339), wk = 0.0036900 k( 240) = ( 0.5000000 0.2886751 0.1756929), wk = 0.0036900 k( 241) = ( 0.5000000 0.2886751 0.1610518), wk = 0.0036900 k( 242) = ( 0.5000000 0.2886751 0.1464107), wk = 0.0036900 k( 243) = ( 0.5000000 0.2886751 0.1317696), wk = 0.0036900 k( 244) = ( 0.5000000 0.2886751 0.1171286), wk = 0.0036900 k( 245) = ( 0.5000000 0.2886751 0.1024875), wk = 0.0036900 k( 246) = ( 0.5000000 0.2886751 0.0878464), wk = 0.0036900 k( 247) = ( 0.5000000 0.2886751 0.0732054), wk = 0.0036900 k( 248) = ( 0.5000000 0.2886751 0.0585643), wk = 0.0036900 k( 249) = ( 0.5000000 0.2886751 0.0439232), wk = 0.0036900 k( 250) = ( 0.5000000 0.2886751 0.0292821), wk = 0.0036900 k( 251) = ( 0.5000000 0.2886751 0.0146411), wk = 0.0036900 k( 252) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 253) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 254) = ( 0.3333333 0.5773503 0.0146411), wk = 0.0036900 k( 255) = ( 0.3333333 0.5773503 0.0292821), wk = 0.0036900 k( 256) = ( 0.3333333 0.5773503 0.0439232), wk = 0.0036900 k( 257) = ( 0.3333333 0.5773503 0.0585643), wk = 0.0036900 k( 258) = ( 0.3333333 0.5773503 0.0732054), wk = 0.0036900 k( 259) = ( 0.3333333 0.5773503 0.0878464), wk = 0.0036900 k( 260) = ( 0.3333333 0.5773503 0.1024875), wk = 0.0036900 k( 261) = ( 0.3333333 0.5773503 0.1171286), wk = 0.0036900 k( 262) = ( 0.3333333 0.5773503 0.1317696), wk = 0.0036900 k( 263) = ( 0.3333333 0.5773503 0.1464107), wk = 0.0036900 k( 264) = ( 0.3333333 0.5773503 0.1610518), wk = 0.0036900 k( 265) = ( 0.3333333 0.5773503 0.1756929), wk = 0.0036900 k( 266) = ( 0.3333333 0.5773503 0.1903339), wk = 0.0036900 k( 267) = ( 0.3333333 0.5773503 0.2049750), wk = 0.0036900 k( 268) = ( 0.3333333 0.5773503 0.2196161), wk = 0.0036900 k( 269) = ( 0.3333333 0.5773503 0.2342571), wk = 0.0036900 k( 270) = ( 0.3333333 0.5773503 0.2488982), wk = 0.0036900 k( 271) = ( 0.3333333 0.5773503 0.2635393), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0131579 0.0000000 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0036900 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0036900 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0036900 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0036900 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0036900 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0036900 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1842105 -0.0000000 0.0000000), wk = 0.0036900 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0036900 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0036900 k( 18) = ( 0.2236842 -0.0000000 0.0000000), wk = 0.0036900 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0036900 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2631579 0.0000000 -0.0000000), wk = 0.0036900 k( 22) = ( 0.2763158 0.0000000 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0036900 k( 24) = ( 0.3026316 0.0000000 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0036900 k( 26) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3552632 -0.0000000 -0.0000000), wk = 0.0036900 k( 29) = ( 0.3684211 -0.0000000 0.0000000), wk = 0.0036900 k( 30) = ( 0.3815789 0.0000000 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0036900 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0036900 k( 33) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0036900 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0036900 k( 35) = ( 0.4473684 -0.0000000 0.0000000), wk = 0.0036900 k( 36) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0036900 k( 37) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4868421 -0.0000000 0.0000000), wk = 0.0036900 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 41) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0036900 k( 42) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0036900 k( 43) = ( 0.4772727 0.0454546 0.0000000), wk = 0.0036900 k( 44) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0036900 k( 47) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0036900 k( 48) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0036900 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0036900 k( 50) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0036900 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0036900 k( 52) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0036900 k( 53) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0036900 k( 54) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0036900 k( 55) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0036900 k( 56) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0036900 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0036900 k( 58) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0036900 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0036900 k( 60) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0036900 k( 61) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0036900 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 63) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 64) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0036900 k( 65) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0036900 k( 66) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0036900 k( 67) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0036900 k( 68) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0036900 k( 69) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0036900 k( 70) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0036900 k( 73) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0036900 k( 74) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0036900 k( 75) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0036900 k( 76) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0036900 k( 77) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0036900 k( 78) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0036900 k( 79) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0036900 k( 80) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0036900 k( 81) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0036900 k( 82) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0036900 k( 83) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0036900 k( 84) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0036900 k( 85) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0036900 k( 86) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0036900 k( 87) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0036900 k( 88) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0036900 k( 89) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0036900 k( 90) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0036900 k( 91) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0036900 k( 92) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0036900 k( 93) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0036900 k( 94) = ( 0.0984848 0.0984849 0.0000000), wk = 0.0036900 k( 95) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0036900 k( 96) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0036900 k( 97) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0036900 k( 98) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0036900 k( 99) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0036900 k( 100) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0036900 k( 101) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0036900 k( 102) = ( 0.0378788 0.0378788 0.0000000), wk = 0.0036900 k( 103) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0036900 k( 104) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0036900 k( 105) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0036900 k( 106) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0036900 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 109) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036900 k( 125) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0036900 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 128) = ( 0.0131579 0.0000000 0.5000000), wk = 0.0036900 k( 129) = ( 0.0263158 0.0000000 0.5000000), wk = 0.0036900 k( 130) = ( 0.0394737 0.0000000 0.5000000), wk = 0.0036900 k( 131) = ( 0.0526316 0.0000000 0.5000000), wk = 0.0036900 k( 132) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0036900 k( 133) = ( 0.0789474 0.0000000 0.5000000), wk = 0.0036900 k( 134) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0036900 k( 135) = ( 0.1052632 0.0000000 0.5000000), wk = 0.0036900 k( 136) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0036900 k( 137) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0036900 k( 138) = ( 0.1447368 0.0000000 0.5000000), wk = 0.0036900 k( 139) = ( 0.1578947 0.0000000 0.5000000), wk = 0.0036900 k( 140) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0036900 k( 141) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0036900 k( 142) = ( 0.1973684 0.0000000 0.5000000), wk = 0.0036900 k( 143) = ( 0.2105263 0.0000000 0.5000000), wk = 0.0036900 k( 144) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0036900 k( 145) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0036900 k( 146) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0036900 k( 147) = ( 0.2631579 0.0000000 0.5000000), wk = 0.0036900 k( 148) = ( 0.2763158 0.0000000 0.5000000), wk = 0.0036900 k( 149) = ( 0.2894737 0.0000000 0.5000000), wk = 0.0036900 k( 150) = ( 0.3026316 0.0000000 0.5000000), wk = 0.0036900 k( 151) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0036900 k( 152) = ( 0.3289474 0.0000000 0.5000000), wk = 0.0036900 k( 153) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0036900 k( 154) = ( 0.3552632 -0.0000000 0.5000000), wk = 0.0036900 k( 155) = ( 0.3684211 -0.0000000 0.5000000), wk = 0.0036900 k( 156) = ( 0.3815789 0.0000000 0.5000000), wk = 0.0036900 k( 157) = ( 0.3947368 0.0000000 0.5000000), wk = 0.0036900 k( 158) = ( 0.4078947 0.0000000 0.5000000), wk = 0.0036900 k( 159) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0036900 k( 160) = ( 0.4342105 0.0000000 0.5000000), wk = 0.0036900 k( 161) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0036900 k( 162) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0036900 k( 163) = ( 0.4736842 0.0000000 0.5000000), wk = 0.0036900 k( 164) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0036900 k( 165) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 166) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 167) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0036900 k( 168) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0036900 k( 169) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0036900 k( 170) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0036900 k( 171) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0036900 k( 172) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0036900 k( 173) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0036900 k( 174) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0036900 k( 175) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0036900 k( 176) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0036900 k( 177) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036900 k( 178) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0036900 k( 179) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0036900 k( 180) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0036900 k( 181) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0036900 k( 182) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0036900 k( 183) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0036900 k( 184) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0036900 k( 185) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0036900 k( 186) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0036900 k( 187) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0036900 k( 188) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 189) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 190) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0036900 k( 191) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0036900 k( 192) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0036900 k( 193) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0036900 k( 194) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0036900 k( 195) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0036900 k( 196) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0036900 k( 197) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0036900 k( 198) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0036900 k( 199) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0036900 k( 200) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036900 k( 201) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0036900 k( 202) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0036900 k( 203) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0036900 k( 204) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0036900 k( 205) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0036900 k( 206) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0036900 k( 207) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0036900 k( 208) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0036900 k( 209) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0036900 k( 210) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0036900 k( 211) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036900 k( 212) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0036900 k( 213) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0036900 k( 214) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0036900 k( 215) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0036900 k( 216) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0036900 k( 217) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0036900 k( 218) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0036900 k( 219) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0036900 k( 220) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0036900 k( 221) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0036900 k( 222) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0036900 k( 223) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0036900 k( 224) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0036900 k( 225) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0036900 k( 226) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0036900 k( 227) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0036900 k( 228) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0036900 k( 229) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0036900 k( 230) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0036900 k( 231) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0036900 k( 232) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0036900 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 235) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0036900 k( 236) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0036900 k( 237) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0036900 k( 238) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0036900 k( 239) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0036900 k( 240) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0036900 k( 241) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0036900 k( 242) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0036900 k( 243) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036900 k( 244) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0036900 k( 245) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0036900 k( 246) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0036900 k( 247) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0036900 k( 248) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0036900 k( 249) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0036900 k( 250) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0036900 k( 251) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0036900 k( 252) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 253) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 254) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0036900 k( 255) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0036900 k( 256) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0036900 k( 257) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0036900 k( 258) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0036900 k( 259) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0036900 k( 260) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0036900 k( 261) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0036900 k( 262) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036900 k( 263) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0036900 k( 264) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0036900 k( 265) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036900 k( 266) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0036900 k( 267) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0036900 k( 268) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0036900 k( 269) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0036900 k( 270) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0036900 k( 271) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 Dense grid: 79885 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 52875 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 376, 62) NL pseudopotentials 0.59 Mb ( 188, 206) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2216) G-vector shells 0.01 Mb ( 1089) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.42 Mb ( 376, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) The potential is recalculated from file : ./BaAgSb.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 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.6 secs Computing kpt #: 5 total cpu time spent up to now is 7.4 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.7 secs Computing kpt #: 14 total cpu time spent up to now is 14.5 secs Computing kpt #: 15 total cpu time spent up to now is 15.2 secs Computing kpt #: 16 total cpu time spent up to now is 16.0 secs Computing kpt #: 17 total cpu time spent up to now is 16.8 secs Computing kpt #: 18 total cpu time spent up to now is 17.7 secs Computing kpt #: 19 total cpu time spent up to now is 18.5 secs Computing kpt #: 20 total cpu time spent up to now is 19.3 secs Computing kpt #: 21 total cpu time spent up to now is 20.1 secs Computing kpt #: 22 total cpu time spent up to now is 21.0 secs Computing kpt #: 23 total cpu time spent up to now is 21.8 secs Computing kpt #: 24 total cpu time spent up to now is 22.6 secs Computing kpt #: 25 total cpu time spent up to now is 23.4 secs Computing kpt #: 26 total cpu time spent up to now is 24.2 secs Computing kpt #: 27 total cpu time spent up to now is 25.1 secs Computing kpt #: 28 total cpu time spent up to now is 25.9 secs Computing kpt #: 29 total cpu time spent up to now is 26.7 secs Computing kpt #: 30 total cpu time spent up to now is 27.5 secs Computing kpt #: 31 total cpu time spent up to now is 28.3 secs Computing kpt #: 32 total cpu time spent up to now is 29.1 secs Computing kpt #: 33 total cpu time spent up to now is 29.8 secs Computing kpt #: 34 total cpu time spent up to now is 30.6 secs Computing kpt #: 35 total cpu time spent up to now is 31.5 secs Computing kpt #: 36 total cpu time spent up to now is 32.4 secs Computing kpt #: 37 total cpu time spent up to now is 33.3 secs Computing kpt #: 38 total cpu time spent up to now is 34.1 secs Computing kpt #: 39 total cpu time spent up to now is 34.9 secs Computing kpt #: 40 total cpu time spent up to now is 35.7 secs Computing kpt #: 41 total cpu time spent up to now is 36.6 secs Computing kpt #: 42 total cpu time spent up to now is 37.5 secs Computing kpt #: 43 total cpu time spent up to now is 38.3 secs Computing kpt #: 44 total cpu time spent up to now is 39.2 secs Computing kpt #: 45 total cpu time spent up to now is 40.1 secs Computing kpt #: 46 total cpu time spent up to now is 41.0 secs Computing kpt #: 47 total cpu time spent up to now is 41.9 secs Computing kpt #: 48 total cpu time spent up to now is 42.8 secs Computing kpt #: 49 total cpu time spent up to now is 44.0 secs Computing kpt #: 50 total cpu time spent up to now is 44.9 secs Computing kpt #: 51 total cpu time spent up to now is 45.8 secs Computing kpt #: 52 total cpu time spent up to now is 46.7 secs Computing kpt #: 53 total cpu time spent up to now is 47.5 secs Computing kpt #: 54 total cpu time spent up to now is 48.3 secs Computing kpt #: 55 total cpu time spent up to now is 49.1 secs Computing kpt #: 56 total cpu time spent up to now is 49.9 secs Computing kpt #: 57 total cpu time spent up to now is 50.7 secs Computing kpt #: 58 total cpu time spent up to now is 51.5 secs Computing kpt #: 59 total cpu time spent up to now is 52.2 secs Computing kpt #: 60 total cpu time spent up to now is 53.0 secs Computing kpt #: 61 total cpu time spent up to now is 53.7 secs Computing kpt #: 62 total cpu time spent up to now is 54.5 secs Computing kpt #: 63 total cpu time spent up to now is 55.2 secs Computing kpt #: 64 total cpu time spent up to now is 56.0 secs Computing kpt #: 65 total cpu time spent up to now is 56.8 secs Computing kpt #: 66 total cpu time spent up to now is 57.5 secs Computing kpt #: 67 total cpu time spent up to now is 58.3 secs Computing kpt #: 68 total cpu time spent up to now is 59.1 secs Computing kpt #: 69 total cpu time spent up to now is 59.9 secs Computing kpt #: 70 total cpu time spent up to now is 60.7 secs Computing kpt #: 71 total cpu time spent up to now is 61.4 secs Computing kpt #: 72 total cpu time spent up to now is 62.2 secs Computing kpt #: 73 total cpu time spent up to now is 63.0 secs Computing kpt #: 74 total cpu time spent up to now is 63.8 secs Computing kpt #: 75 total cpu time spent up to now is 64.6 secs Computing kpt #: 76 total cpu time spent up to now is 65.4 secs Computing kpt #: 77 total cpu time spent up to now is 66.2 secs Computing kpt #: 78 total cpu time spent up to now is 66.9 secs Computing kpt #: 79 total cpu time spent up to now is 67.7 secs Computing kpt #: 80 total cpu time spent up to now is 68.5 secs Computing kpt #: 81 total cpu time spent up to now is 69.3 secs Computing kpt #: 82 total cpu time spent up to now is 70.1 secs Computing kpt #: 83 total cpu time spent up to now is 70.9 secs Computing kpt #: 84 total cpu time spent up to now is 71.7 secs Computing kpt #: 85 total cpu time spent up to now is 72.6 secs Computing kpt #: 86 total cpu time spent up to now is 73.6 secs Computing kpt #: 87 total cpu time spent up to now is 74.5 secs Computing kpt #: 88 total cpu time spent up to now is 75.4 secs Computing kpt #: 89 total cpu time spent up to now is 76.3 secs Computing kpt #: 90 total cpu time spent up to now is 77.2 secs Computing kpt #: 91 total cpu time spent up to now is 78.1 secs Computing kpt #: 92 total cpu time spent up to now is 78.9 secs Computing kpt #: 93 total cpu time spent up to now is 79.6 secs Computing kpt #: 94 total cpu time spent up to now is 80.5 secs Computing kpt #: 95 total cpu time spent up to now is 81.4 secs Computing kpt #: 96 total cpu time spent up to now is 82.2 secs Computing kpt #: 97 total cpu time spent up to now is 83.0 secs Computing kpt #: 98 total cpu time spent up to now is 83.8 secs Computing kpt #: 99 total cpu time spent up to now is 84.6 secs Computing kpt #: 100 total cpu time spent up to now is 85.3 secs Computing kpt #: 101 total cpu time spent up to now is 86.1 secs Computing kpt #: 102 total cpu time spent up to now is 87.0 secs Computing kpt #: 103 total cpu time spent up to now is 87.8 secs Computing kpt #: 104 total cpu time spent up to now is 88.6 secs Computing kpt #: 105 total cpu time spent up to now is 89.4 secs Computing kpt #: 106 total cpu time spent up to now is 90.4 secs Computing kpt #: 107 total cpu time spent up to now is 91.3 secs Computing kpt #: 108 total cpu time spent up to now is 92.3 secs Computing kpt #: 109 total cpu time spent up to now is 93.2 secs Computing kpt #: 110 total cpu time spent up to now is 94.2 secs Computing kpt #: 111 total cpu time spent up to now is 95.5 secs Computing kpt #: 112 total cpu time spent up to now is 96.6 secs Computing kpt #: 113 total cpu time spent up to now is 97.6 secs Computing kpt #: 114 total cpu time spent up to now is 98.5 secs Computing kpt #: 115 total cpu time spent up to now is 99.3 secs Computing kpt #: 116 total cpu time spent up to now is 100.1 secs Computing kpt #: 117 total cpu time spent up to now is 101.0 secs Computing kpt #: 118 total cpu time spent up to now is 101.8 secs Computing kpt #: 119 total cpu time spent up to now is 102.7 secs Computing kpt #: 120 total cpu time spent up to now is 103.6 secs Computing kpt #: 121 total cpu time spent up to now is 104.4 secs Computing kpt #: 122 total cpu time spent up to now is 105.3 secs Computing kpt #: 123 total cpu time spent up to now is 106.1 secs Computing kpt #: 124 total cpu time spent up to now is 107.1 secs Computing kpt #: 125 total cpu time spent up to now is 108.0 secs Computing kpt #: 126 total cpu time spent up to now is 109.0 secs Computing kpt #: 127 total cpu time spent up to now is 109.9 secs Computing kpt #: 128 total cpu time spent up to now is 110.8 secs Computing kpt #: 129 total cpu time spent up to now is 111.7 secs Computing kpt #: 130 total cpu time spent up to now is 112.6 secs Computing kpt #: 131 total cpu time spent up to now is 113.6 secs Computing kpt #: 132 total cpu time spent up to now is 114.4 secs Computing kpt #: 133 total cpu time spent up to now is 115.2 secs Computing kpt #: 134 total cpu time spent up to now is 116.0 secs Computing kpt #: 135 total cpu time spent up to now is 116.8 secs Computing kpt #: 136 total cpu time spent up to now is 117.8 secs Computing kpt #: 137 total cpu time spent up to now is 118.5 secs Computing kpt #: 138 total cpu time spent up to now is 119.3 secs Computing kpt #: 139 total cpu time spent up to now is 120.1 secs Computing kpt #: 140 total cpu time spent up to now is 120.9 secs Computing kpt #: 141 total cpu time spent up to now is 121.6 secs Computing kpt #: 142 total cpu time spent up to now is 122.4 secs Computing kpt #: 143 total cpu time spent up to now is 123.2 secs Computing kpt #: 144 total cpu time spent up to now is 124.0 secs Computing kpt #: 145 total cpu time spent up to now is 124.8 secs Computing kpt #: 146 total cpu time spent up to now is 125.6 secs Computing kpt #: 147 total cpu time spent up to now is 126.3 secs Computing kpt #: 148 total cpu time spent up to now is 127.1 secs Computing kpt #: 149 total cpu time spent up to now is 127.9 secs Computing kpt #: 150 total cpu time spent up to now is 128.7 secs Computing kpt #: 151 total cpu time spent up to now is 129.5 secs Computing kpt #: 152 total cpu time spent up to now is 130.3 secs Computing kpt #: 153 total cpu time spent up to now is 131.1 secs Computing kpt #: 154 total cpu time spent up to now is 132.0 secs Computing kpt #: 155 total cpu time spent up to now is 132.8 secs Computing kpt #: 156 total cpu time spent up to now is 133.6 secs Computing kpt #: 157 total cpu time spent up to now is 134.5 secs Computing kpt #: 158 total cpu time spent up to now is 135.4 secs Computing kpt #: 159 total cpu time spent up to now is 136.3 secs Computing kpt #: 160 total cpu time spent up to now is 137.2 secs Computing kpt #: 161 total cpu time spent up to now is 138.1 secs Computing kpt #: 162 total cpu time spent up to now is 138.9 secs Computing kpt #: 163 total cpu time spent up to now is 139.8 secs Computing kpt #: 164 total cpu time spent up to now is 140.7 secs Computing kpt #: 165 total cpu time spent up to now is 141.6 secs Computing kpt #: 166 total cpu time spent up to now is 142.5 secs Computing kpt #: 167 total cpu time spent up to now is 143.6 secs Computing kpt #: 168 total cpu time spent up to now is 144.7 secs Computing kpt #: 169 total cpu time spent up to now is 145.8 secs Computing kpt #: 170 total cpu time spent up to now is 146.9 secs Computing kpt #: 171 total cpu time spent up to now is 148.0 secs Computing kpt #: 172 total cpu time spent up to now is 149.0 secs Computing kpt #: 173 total cpu time spent up to now is 150.1 secs Computing kpt #: 174 total cpu time spent up to now is 151.1 secs Computing kpt #: 175 total cpu time spent up to now is 152.0 secs Computing kpt #: 176 total cpu time spent up to now is 152.9 secs Computing kpt #: 177 total cpu time spent up to now is 153.8 secs Computing kpt #: 178 total cpu time spent up to now is 154.7 secs Computing kpt #: 179 total cpu time spent up to now is 155.6 secs Computing kpt #: 180 total cpu time spent up to now is 156.5 secs Computing kpt #: 181 total cpu time spent up to now is 157.4 secs Computing kpt #: 182 total cpu time spent up to now is 158.2 secs Computing kpt #: 183 total cpu time spent up to now is 159.0 secs Computing kpt #: 184 total cpu time spent up to now is 159.8 secs Computing kpt #: 185 total cpu time spent up to now is 160.6 secs Computing kpt #: 186 total cpu time spent up to now is 161.5 secs Computing kpt #: 187 total cpu time spent up to now is 162.3 secs Computing kpt #: 188 total cpu time spent up to now is 163.0 secs Computing kpt #: 189 total cpu time spent up to now is 163.8 secs Computing kpt #: 190 total cpu time spent up to now is 164.6 secs Computing kpt #: 191 total cpu time spent up to now is 165.5 secs Computing kpt #: 192 total cpu time spent up to now is 166.3 secs Computing kpt #: 193 total cpu time spent up to now is 167.0 secs Computing kpt #: 194 total cpu time spent up to now is 167.9 secs Computing kpt #: 195 total cpu time spent up to now is 168.8 secs Computing kpt #: 196 total cpu time spent up to now is 169.7 secs Computing kpt #: 197 total cpu time spent up to now is 170.6 secs Computing kpt #: 198 total cpu time spent up to now is 171.6 secs Computing kpt #: 199 total cpu time spent up to now is 172.5 secs Computing kpt #: 200 total cpu time spent up to now is 173.4 secs Computing kpt #: 201 total cpu time spent up to now is 174.3 secs Computing kpt #: 202 total cpu time spent up to now is 175.2 secs Computing kpt #: 203 total cpu time spent up to now is 176.4 secs Computing kpt #: 204 total cpu time spent up to now is 177.3 secs Computing kpt #: 205 total cpu time spent up to now is 178.2 secs Computing kpt #: 206 total cpu time spent up to now is 179.1 secs Computing kpt #: 207 total cpu time spent up to now is 180.0 secs Computing kpt #: 208 total cpu time spent up to now is 181.0 secs Computing kpt #: 209 total cpu time spent up to now is 182.1 secs Computing kpt #: 210 total cpu time spent up to now is 183.0 secs Computing kpt #: 211 total cpu time spent up to now is 184.0 secs Computing kpt #: 212 total cpu time spent up to now is 185.1 secs Computing kpt #: 213 total cpu time spent up to now is 186.0 secs Computing kpt #: 214 total cpu time spent up to now is 186.8 secs Computing kpt #: 215 total cpu time spent up to now is 187.7 secs Computing kpt #: 216 total cpu time spent up to now is 188.4 secs Computing kpt #: 217 total cpu time spent up to now is 189.2 secs Computing kpt #: 218 total cpu time spent up to now is 190.0 secs Computing kpt #: 219 total cpu time spent up to now is 190.8 secs Computing kpt #: 220 total cpu time spent up to now is 191.6 secs Computing kpt #: 221 total cpu time spent up to now is 192.4 secs Computing kpt #: 222 total cpu time spent up to now is 193.1 secs Computing kpt #: 223 total cpu time spent up to now is 193.9 secs Computing kpt #: 224 total cpu time spent up to now is 194.8 secs Computing kpt #: 225 total cpu time spent up to now is 195.6 secs Computing kpt #: 226 total cpu time spent up to now is 196.4 secs Computing kpt #: 227 total cpu time spent up to now is 197.3 secs Computing kpt #: 228 total cpu time spent up to now is 198.2 secs Computing kpt #: 229 total cpu time spent up to now is 199.2 secs Computing kpt #: 230 total cpu time spent up to now is 200.2 secs Computing kpt #: 231 total cpu time spent up to now is 201.1 secs Computing kpt #: 232 total cpu time spent up to now is 202.1 secs Computing kpt #: 233 total cpu time spent up to now is 203.0 secs Computing kpt #: 234 total cpu time spent up to now is 203.9 secs Computing kpt #: 235 total cpu time spent up to now is 204.8 secs Computing kpt #: 236 total cpu time spent up to now is 205.7 secs Computing kpt #: 237 total cpu time spent up to now is 206.6 secs Computing kpt #: 238 total cpu time spent up to now is 207.6 secs Computing kpt #: 239 total cpu time spent up to now is 208.8 secs Computing kpt #: 240 total cpu time spent up to now is 209.9 secs Computing kpt #: 241 total cpu time spent up to now is 210.9 secs Computing kpt #: 242 total cpu time spent up to now is 211.9 secs Computing kpt #: 243 total cpu time spent up to now is 212.9 secs Computing kpt #: 244 total cpu time spent up to now is 213.9 secs Computing kpt #: 245 total cpu time spent up to now is 214.9 secs Computing kpt #: 246 total cpu time spent up to now is 215.8 secs Computing kpt #: 247 total cpu time spent up to now is 216.7 secs Computing kpt #: 248 total cpu time spent up to now is 217.5 secs Computing kpt #: 249 total cpu time spent up to now is 218.3 secs Computing kpt #: 250 total cpu time spent up to now is 219.2 secs Computing kpt #: 251 total cpu time spent up to now is 220.1 secs Computing kpt #: 252 total cpu time spent up to now is 220.9 secs Computing kpt #: 253 total cpu time spent up to now is 221.6 secs Computing kpt #: 254 total cpu time spent up to now is 222.4 secs Computing kpt #: 255 total cpu time spent up to now is 223.2 secs Computing kpt #: 256 total cpu time spent up to now is 224.0 secs Computing kpt #: 257 total cpu time spent up to now is 224.8 secs Computing kpt #: 258 total cpu time spent up to now is 225.6 secs Computing kpt #: 259 total cpu time spent up to now is 226.4 secs Computing kpt #: 260 total cpu time spent up to now is 227.2 secs Computing kpt #: 261 total cpu time spent up to now is 227.9 secs Computing kpt #: 262 total cpu time spent up to now is 228.7 secs Computing kpt #: 263 total cpu time spent up to now is 229.5 secs Computing kpt #: 264 total cpu time spent up to now is 230.3 secs Computing kpt #: 265 total cpu time spent up to now is 231.2 secs Computing kpt #: 266 total cpu time spent up to now is 232.0 secs Computing kpt #: 267 total cpu time spent up to now is 232.8 secs Computing kpt #: 268 total cpu time spent up to now is 233.6 secs Computing kpt #: 269 total cpu time spent up to now is 234.4 secs Computing kpt #: 270 total cpu time spent up to now is 235.2 secs Computing kpt #: 271 total cpu time spent up to now is 236.0 secs ethr = 1.92E-08, avg # of iterations = 21.7 total cpu time spent up to now is 236.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.3262 -19.3262 -19.3211 -19.3211 -6.2126 -6.2126 -6.1774 -6.1774 -4.3730 -4.3730 -4.3503 -4.3503 -4.2489 -4.2489 -4.1174 -4.1174 -1.0560 -1.0560 -0.8512 -0.8512 3.6879 3.6879 3.7161 3.7161 3.7855 3.7855 3.8498 3.8498 4.1653 4.1653 4.2381 4.2381 4.2769 4.2769 4.3425 4.3425 4.3774 4.3774 4.4025 4.4025 5.1981 5.1981 5.8900 5.8900 6.2471 6.2471 6.5253 6.5253 6.5954 6.5954 6.9536 6.9536 7.3923 7.3923 10.3787 10.3787 11.0544 11.0544 11.1719 11.1719 11.2926 11.2926 k = 0.0132 0.0076-0.0000 ( 6551 PWs) bands (ev): -19.3262 -19.3262 -19.3210 -19.3210 -6.2131 -6.2131 -6.1779 -6.1779 -4.3744 -4.3744 -4.3518 -4.3518 -4.2491 -4.2491 -4.1178 -4.1178 -1.0527 -1.0527 -0.8482 -0.8482 3.6885 3.6885 3.7164 3.7164 3.7856 3.7856 3.8497 3.8497 4.1657 4.1657 4.2384 4.2384 4.2770 4.2770 4.3424 4.3424 4.3774 4.3774 4.4024 4.4024 5.1980 5.1980 5.8867 5.8867 6.2367 6.2367 6.5427 6.5427 6.5950 6.5950 6.9525 6.9525 7.3913 7.3913 10.3853 10.3853 11.0572 11.0572 11.1411 11.1411 11.2311 11.2311 k = 0.0263 0.0152-0.0000 ( 6559 PWs) bands (ev): -19.3260 -19.3260 -19.3208 -19.3208 -6.2145 -6.2145 -6.1795 -6.1795 -4.3786 -4.3786 -4.3562 -4.3562 -4.2497 -4.2497 -4.1189 -4.1189 -1.0428 -1.0428 -0.8394 -0.8394 3.6902 3.6902 3.7172 3.7172 3.7856 3.7856 3.8494 3.8494 4.1670 4.1670 4.2393 4.2393 4.2773 4.2773 4.3419 4.3419 4.3774 4.3774 4.4022 4.4022 5.1976 5.1976 5.8759 5.8759 6.2137 6.2137 6.5840 6.5840 6.5972 6.5972 6.9493 6.9493 7.3885 7.3885 10.4048 10.4048 11.0647 11.0647 11.0769 11.0769 11.1568 11.1568 k = 0.0395 0.0228-0.0000 ( 6567 PWs) bands (ev): -19.3257 -19.3257 -19.3206 -19.3206 -6.2168 -6.2168 -6.1822 -6.1822 -4.3855 -4.3855 -4.3636 -4.3636 -4.2507 -4.2507 -4.1206 -4.1206 -1.0265 -1.0265 -0.8249 -0.8249 3.6931 3.6931 3.7187 3.7187 3.7856 3.7856 3.8489 3.8489 4.1692 4.1692 4.2407 4.2407 4.2779 4.2779 4.3411 4.3411 4.3774 4.3774 4.4017 4.4017 5.1969 5.1969 5.8562 5.8562 6.1913 6.1913 6.5879 6.5879 6.6509 6.6509 6.9450 6.9450 7.3837 7.3837 10.4366 10.4366 10.9995 10.9995 11.0618 11.0618 11.0955 11.0955 k = 0.0526 0.0304-0.0000 ( 6567 PWs) bands (ev): -19.3253 -19.3253 -19.3202 -19.3202 -6.2201 -6.2201 -6.1860 -6.1860 -4.3952 -4.3952 -4.3739 -4.3739 -4.2519 -4.2519 -4.1229 -4.1229 -1.0040 -1.0040 -0.8049 -0.8049 3.6971 3.6971 3.7208 3.7208 3.7856 3.7856 3.8482 3.8482 4.1723 4.1723 4.2427 4.2427 4.2786 4.2786 4.3400 4.3400 4.3774 4.3774 4.4010 4.4010 5.1961 5.1961 5.8267 5.8267 6.1776 6.1776 6.5820 6.5820 6.7205 6.7205 6.9408 6.9408 7.3772 7.3772 10.4793 10.4793 10.9141 10.9141 10.9920 10.9920 11.1055 11.1055 k = 0.0658 0.0380-0.0000 ( 6571 PWs) bands (ev): -19.3248 -19.3248 -19.3197 -19.3197 -6.2243 -6.2243 -6.1908 -6.1908 -4.4075 -4.4075 -4.3869 -4.3869 -4.2531 -4.2531 -4.1256 -4.1256 -0.9755 -0.9755 -0.7796 -0.7796 3.7020 3.7020 3.7235 3.7235 3.7857 3.7857 3.8474 3.8474 4.1762 4.1762 4.2452 4.2452 4.2795 4.2795 4.3385 4.3385 4.3775 4.3775 4.4002 4.4002 5.1951 5.1951 5.7883 5.7883 6.1753 6.1753 6.5725 6.5725 6.7951 6.7951 6.9382 6.9382 7.3690 7.3690 10.5297 10.5297 10.8237 10.8237 10.9134 10.9134 11.1301 11.1301 k = 0.0789 0.0456-0.0000 ( 6569 PWs) bands (ev): -19.3241 -19.3241 -19.3191 -19.3191 -6.2293 -6.2293 -6.1967 -6.1967 -4.4225 -4.4225 -4.4026 -4.4026 -4.2543 -4.2543 -4.1285 -4.1285 -0.9415 -0.9415 -0.7492 -0.7492 3.7078 3.7078 3.7269 3.7269 3.7857 3.7857 3.8463 3.8463 4.1809 4.1809 4.2483 4.2483 4.2806 4.2806 4.3367 4.3367 4.3778 4.3778 4.3994 4.3994 5.1941 5.1941 5.7436 5.7436 6.1838 6.1838 6.5588 6.5588 6.8723 6.8723 6.9389 6.9389 7.3593 7.3593 10.5741 10.5741 10.7416 10.7416 10.8361 10.8361 11.1602 11.1602 k = 0.0921 0.0532-0.0000 ( 6567 PWs) bands (ev): -19.3234 -19.3234 -19.3184 -19.3184 -6.2353 -6.2353 -6.2035 -6.2035 -4.4399 -4.4399 -4.4206 -4.4206 -4.2554 -4.2554 -4.1317 -4.1317 -0.9023 -0.9023 -0.7143 -0.7143 3.7141 3.7141 3.7311 3.7311 3.7859 3.7859 3.8450 3.8450 4.1865 4.1865 4.2517 4.2517 4.2819 4.2819 4.3345 4.3345 4.3781 4.3781 4.3985 4.3985 5.1931 5.1931 5.6954 5.6954 6.2012 6.2012 6.5404 6.5404 6.9439 6.9439 6.9506 6.9506 7.3486 7.3486 10.5526 10.5526 10.7187 10.7187 10.7704 10.7704 11.1948 11.1948 k = 0.1053 0.0608-0.0000 ( 6589 PWs) bands (ev): -19.3226 -19.3226 -19.3177 -19.3177 -6.2421 -6.2421 -6.2113 -6.2113 -4.4594 -4.4594 -4.4409 -4.4409 -4.2563 -4.2563 -4.1349 -4.1349 -0.8583 -0.8583 -0.6750 -0.6750 3.7205 3.7205 3.7362 3.7362 3.7862 3.7862 3.8436 3.8436 4.1928 4.1928 4.2555 4.2555 4.2833 4.2833 4.3321 4.3321 4.3787 4.3787 4.3977 4.3977 5.1922 5.1922 5.6459 5.6459 6.2258 6.2258 6.5178 6.5178 6.9545 6.9545 7.0278 7.0278 7.3379 7.3379 10.4605 10.4605 10.6713 10.6713 10.8054 10.8054 11.2327 11.2327 k = 0.1184 0.0684-0.0000 ( 6595 PWs) bands (ev): -19.3216 -19.3216 -19.3168 -19.3168 -6.2497 -6.2497 -6.2200 -6.2200 -4.4808 -4.4808 -4.4631 -4.4631 -4.2570 -4.2570 -4.1382 -4.1382 -0.8100 -0.8100 -0.6320 -0.6320 3.7265 3.7265 3.7425 3.7425 3.7868 3.7868 3.8420 3.8420 4.1997 4.1997 4.2595 4.2595 4.2849 4.2849 4.3294 4.3294 4.3795 4.3795 4.3970 4.3970 5.1915 5.1915 5.5967 5.5967 6.2560 6.2560 6.4917 6.4917 6.9707 6.9707 7.1014 7.1014 7.3295 7.3295 10.3518 10.3518 10.5976 10.5976 10.8891 10.8891 11.2726 11.2726 k = 0.1316 0.0760-0.0000 ( 6591 PWs) bands (ev): -19.3206 -19.3206 -19.3159 -19.3159 -6.2581 -6.2581 -6.2296 -6.2296 -4.5037 -4.5037 -4.4868 -4.4868 -4.2575 -4.2575 -4.1414 -4.1414 -0.7580 -0.7580 -0.5856 -0.5856 3.7319 3.7319 3.7502 3.7502 3.7878 3.7878 3.8402 3.8402 4.2073 4.2073 4.2635 4.2635 4.2869 4.2869 4.3266 4.3266 4.3805 4.3805 4.3965 4.3965 5.1913 5.1913 5.5491 5.5491 6.2899 6.2899 6.4641 6.4641 6.9924 6.9924 7.1636 7.1636 7.3305 7.3305 10.2391 10.2391 10.5232 10.5232 10.9837 10.9837 11.3125 11.3125 k = 0.1447 0.0836-0.0000 ( 6597 PWs) bands (ev): -19.3195 -19.3195 -19.3149 -19.3149 -6.2673 -6.2673 -6.2401 -6.2401 -4.5279 -4.5279 -4.5119 -4.5119 -4.2578 -4.2578 -4.1445 -4.1445 -0.7026 -0.7026 -0.5363 -0.5363 3.7365 3.7365 3.7584 3.7584 3.7896 3.7896 3.8383 3.8383 4.2153 4.2153 4.2672 4.2672 4.2894 4.2894 4.3239 4.3239 4.3817 4.3817 4.3963 4.3963 5.1915 5.1915 5.5039 5.5039 6.3234 6.3234 6.4395 6.4395 7.0194 7.0194 7.1988 7.1988 7.3566 7.3566 10.1257 10.1257 10.4495 10.4495 11.0835 11.0835 11.3494 11.3494 k = 0.1579 0.0912-0.0000 ( 6607 PWs) bands (ev): -19.3183 -19.3183 -19.3138 -19.3138 -6.2771 -6.2771 -6.2513 -6.2513 -4.5531 -4.5531 -4.5379 -4.5379 -4.2579 -4.2579 -4.1476 -4.1476 -0.6445 -0.6445 -0.4845 -0.4845 3.7404 3.7404 3.7665 3.7665 3.7929 3.7929 3.8363 3.8363 4.2235 4.2235 4.2703 4.2703 4.2923 4.2923 4.3217 4.3217 4.3832 4.3832 4.3964 4.3964 5.1923 5.1923 5.4616 5.4616 6.3423 6.3423 6.4326 6.4326 7.0513 7.0513 7.2020 7.2020 7.4123 7.4123 10.0135 10.0135 10.3770 10.3770 11.1856 11.1856 11.3795 11.3795 k = 0.1711 0.0988-0.0000 ( 6595 PWs) bands (ev): -19.3171 -19.3171 -19.3127 -19.3127 -6.2876 -6.2876 -6.2632 -6.2632 -4.5790 -4.5790 -4.5646 -4.5646 -4.2579 -4.2579 -4.1506 -4.1506 -0.5840 -0.5840 -0.4307 -0.4307 3.7437 3.7437 3.7734 3.7734 3.7985 3.7985 3.8341 3.8341 4.2315 4.2315 4.2727 4.2727 4.2955 4.2955 4.3208 4.3208 4.3850 4.3850 4.3969 4.3969 5.1939 5.1939 5.4227 5.4227 6.3306 6.3306 6.4598 6.4598 7.0878 7.0878 7.1883 7.1883 7.4825 7.4825 9.9036 9.9036 10.3060 10.3060 11.2866 11.2866 11.3976 11.3976 k = 0.1842 0.1064-0.0000 ( 6595 PWs) bands (ev): -19.3158 -19.3158 -19.3115 -19.3115 -6.2987 -6.2987 -6.2757 -6.2757 -4.6052 -4.6052 -4.5917 -4.5917 -4.2576 -4.2576 -4.1536 -4.1536 -0.5217 -0.5217 -0.3754 -0.3754 3.7462 3.7462 3.7788 3.7788 3.8066 3.8066 3.8319 3.8319 4.2389 4.2389 4.2743 4.2743 4.2984 4.2984 4.3219 4.3219 4.3871 4.3871 4.3979 4.3979 5.1962 5.1962 5.3876 5.3876 6.3043 6.3043 6.5054 6.5054 7.1284 7.1284 7.1674 7.1674 7.5576 7.5576 9.7968 9.7968 10.2366 10.2366 11.3792 11.3792 11.3999 11.3999 k = 0.1974 0.1140-0.0000 ( 6605 PWs) bands (ev): -19.3144 -19.3144 -19.3102 -19.3102 -6.3103 -6.3103 -6.2888 -6.2888 -4.6316 -4.6316 -4.6189 -4.6189 -4.2573 -4.2573 -4.1565 -4.1565 -0.4581 -0.4581 -0.3190 -0.3190 3.7480 3.7480 3.7833 3.7833 3.8163 3.8163 3.8296 3.8296 4.2450 4.2450 4.2753 4.2753 4.3007 4.3007 4.3259 4.3259 4.3894 4.3894 4.3994 4.3994 5.1994 5.1994 5.3565 5.3565 6.2753 6.2753 6.5576 6.5576 7.1429 7.1429 7.1730 7.1730 7.6342 7.6342 9.6939 9.6939 10.1689 10.1689 11.3714 11.3714 11.4543 11.4543 k = 0.2105 0.1215-0.0000 ( 6609 PWs) bands (ev): -19.3130 -19.3130 -19.3090 -19.3090 -6.3224 -6.3224 -6.3024 -6.3024 -4.6579 -4.6579 -4.6460 -4.6460 -4.2567 -4.2567 -4.1593 -4.1593 -0.3937 -0.3937 -0.2620 -0.2620 3.7490 3.7490 3.7874 3.7874 3.8255 3.8255 3.8287 3.8287 4.2490 4.2490 4.2758 4.2758 4.3031 4.3031 4.3323 4.3323 4.3921 4.3921 4.4014 4.4014 5.2036 5.2036 5.3298 5.3298 6.2470 6.2470 6.6124 6.6124 7.1171 7.1171 7.2213 7.2213 7.7110 7.7110 9.5954 9.5954 10.1032 10.1032 11.3192 11.3192 11.4794 11.4794 k = 0.2237 0.1291-0.0000 ( 6605 PWs) bands (ev): -19.3116 -19.3116 -19.3077 -19.3077 -6.3349 -6.3349 -6.3163 -6.3163 -4.6839 -4.6839 -4.6728 -4.6728 -4.2560 -4.2560 -4.1621 -4.1621 -0.3289 -0.3289 -0.2049 -0.2049 3.7494 3.7494 3.7915 3.7915 3.8246 3.8246 3.8385 3.8385 4.2504 4.2504 4.2762 4.2762 4.3066 4.3066 4.3402 4.3402 4.3953 4.3953 4.4040 4.4040 5.2085 5.2085 5.3077 5.3077 6.2209 6.2209 6.6670 6.6670 7.0920 7.0920 7.2729 7.2729 7.7874 7.7874 9.5019 9.5019 10.0396 10.0396 11.2406 11.2406 11.4877 11.4877 k = 0.2368 0.1367-0.0000 ( 6615 PWs) bands (ev): -19.3101 -19.3101 -19.3063 -19.3063 -6.3476 -6.3476 -6.3306 -6.3306 -4.7094 -4.7094 -4.6990 -4.6990 -4.2552 -4.2552 -4.1647 -4.1647 -0.2641 -0.2641 -0.1479 -0.1479 3.7492 3.7492 3.7954 3.7954 3.8226 3.8226 3.8495 3.8495 4.2494 4.2494 4.2764 4.2764 4.3112 4.3112 4.3490 4.3490 4.3990 4.3990 4.4072 4.4072 5.2142 5.2142 5.2907 5.2907 6.1979 6.1979 6.7173 6.7173 7.0713 7.0713 7.3277 7.3277 7.8631 7.8631 9.4138 9.4138 9.9781 9.9781 11.1408 11.1408 11.4887 11.4887 k = 0.2500 0.1443-0.0000 ( 6615 PWs) bands (ev): -19.3087 -19.3087 -19.3050 -19.3050 -6.3606 -6.3606 -6.3450 -6.3450 -4.7343 -4.7343 -4.7246 -4.7246 -4.2543 -4.2543 -4.1674 -4.1674 -0.1999 -0.1999 -0.0916 -0.0916 3.7485 3.7485 3.7992 3.7992 3.8210 3.8210 3.8602 3.8602 4.2465 4.2465 4.2767 4.2767 4.3167 4.3167 4.3578 4.3578 4.4036 4.4036 4.4112 4.4112 5.2199 5.2199 5.2795 5.2795 6.1785 6.1785 6.7566 6.7566 7.0614 7.0614 7.3854 7.3854 7.9378 7.9378 9.3314 9.3314 9.9189 9.9189 11.0257 11.0257 11.4830 11.4830 k = 0.2632 0.1519-0.0000 ( 6615 PWs) bands (ev): -19.3072 -19.3072 -19.3037 -19.3037 -6.3737 -6.3737 -6.3595 -6.3595 -4.7584 -4.7584 -4.7494 -4.7494 -4.2532 -4.2532 -4.1700 -4.1700 -0.1365 -0.1365 -0.0364 -0.0364 3.7474 3.7474 3.8024 3.8024 3.8201 3.8201 3.8706 3.8706 4.2423 4.2423 4.2771 4.2771 4.3225 4.3225 4.3659 4.3659 4.4088 4.4088 4.4166 4.4166 5.2250 5.2250 5.2748 5.2748 6.1631 6.1631 6.7756 6.7756 7.0714 7.0714 7.4457 7.4457 8.0114 8.0114 9.2549 9.2549 9.8621 9.8621 10.9005 10.9005 11.4704 11.4704 k = 0.2763 0.1595-0.0000 ( 6617 PWs) bands (ev): -19.3058 -19.3058 -19.3024 -19.3024 -6.3868 -6.3868 -6.3740 -6.3740 -4.7816 -4.7816 -4.7732 -4.7732 -4.2521 -4.2521 -4.1725 -4.1725 -0.0744 -0.0744 0.0175 0.0175 3.7459 3.7459 3.8046 3.8046 3.8204 3.8204 3.8804 3.8804 4.2373 4.2373 4.2779 4.2779 4.3281 4.3281 4.3729 4.3729 4.4142 4.4142 4.4238 4.4238 5.2291 5.2291 5.2773 5.2773 6.1521 6.1521 6.7698 6.7698 7.1053 7.1053 7.5082 7.5082 8.0839 8.0839 9.1846 9.1846 9.8077 9.8077 10.7693 10.7693 11.4512 11.4512 k = 0.2895 0.1671-0.0000 ( 6617 PWs) bands (ev): -19.3043 -19.3043 -19.3011 -19.3011 -6.3999 -6.3999 -6.3884 -6.3884 -4.8038 -4.8038 -4.7959 -4.7959 -4.2508 -4.2508 -4.1749 -4.1749 -0.0140 -0.0140 0.0696 0.0696 3.7439 3.7439 3.8058 3.8058 3.8221 3.8221 3.8896 3.8896 4.2317 4.2317 4.2790 4.2790 4.3333 4.3333 4.3787 4.3787 4.4194 4.4194 4.4331 4.4331 5.2330 5.2330 5.2860 5.2860 6.1456 6.1456 6.7443 6.7443 7.1580 7.1580 7.5727 7.5727 8.1551 8.1551 9.1204 9.1204 9.7560 9.7560 10.6351 10.6351 11.4258 11.4258 k = 0.3026 0.1747-0.0000 ( 6613 PWs) bands (ev): -19.3029 -19.3029 -19.2998 -19.2998 -6.4128 -6.4128 -6.4025 -6.4025 -4.8249 -4.8249 -4.8176 -4.8176 -4.2494 -4.2494 -4.1774 -4.1774 0.0443 0.0443 0.1197 0.1197 3.7414 3.7414 3.8064 3.8064 3.8246 3.8246 3.8980 3.8980 4.2258 4.2258 4.2805 4.2805 4.3380 4.3380 4.3835 4.3835 4.4245 4.4245 4.4439 4.4439 5.2384 5.2384 5.2992 5.2992 6.1435 6.1435 6.7064 6.7064 7.2219 7.2219 7.6388 7.6388 8.2249 8.2249 9.0625 9.0625 9.7070 9.7070 10.5001 10.5001 11.3951 11.3951 k = 0.3158 0.1823-0.0000 ( 6617 PWs) bands (ev): -19.3015 -19.3015 -19.2986 -19.2986 -6.4255 -6.4255 -6.4163 -6.4163 -4.8448 -4.8448 -4.8380 -4.8380 -4.2479 -4.2479 -4.1797 -4.1797 0.1004 0.1004 0.1674 0.1674 3.7385 3.7385 3.8067 3.8067 3.8277 3.8277 3.9057 3.9057 4.2198 4.2198 4.2824 4.2824 4.3421 4.3421 4.3875 4.3875 4.4297 4.4297 4.4554 4.4554 5.2462 5.2462 5.3158 5.3158 6.1458 6.1458 6.6609 6.6609 7.2919 7.2919 7.7060 7.7060 8.2931 8.2931 9.0107 9.0107 9.6607 9.6607 10.3663 10.3663 11.3601 11.3601 k = 0.3289 0.1899-0.0000 ( 6623 PWs) bands (ev): -19.3002 -19.3002 -19.2974 -19.2974 -6.4378 -6.4378 -6.4296 -6.4296 -4.8635 -4.8635 -4.8571 -4.8571 -4.2464 -4.2464 -4.1820 -4.1820 0.1538 0.1538 0.2126 0.2126 3.7351 3.7351 3.8072 3.8072 3.8308 3.8308 3.9126 3.9126 4.2138 4.2138 4.2845 4.2845 4.3456 4.3456 4.3910 4.3910 4.4349 4.4349 4.4671 4.4671 5.2567 5.2567 5.3353 5.3353 6.1520 6.1520 6.6108 6.6108 7.3649 7.3649 7.7738 7.7738 8.3596 8.3596 8.9651 8.9651 9.6172 9.6172 10.2352 10.2352 11.3219 11.3219 k = 0.3421 0.1975-0.0000 ( 6615 PWs) bands (ev): -19.2989 -19.2989 -19.2963 -19.2963 -6.4497 -6.4497 -6.4424 -6.4424 -4.8810 -4.8810 -4.8750 -4.8750 -4.2448 -4.2448 -4.1843 -4.1843 0.2043 0.2043 0.2550 0.2550 3.7314 3.7314 3.8079 3.8079 3.8339 3.8339 3.9187 3.9187 4.2080 4.2080 4.2871 4.2871 4.3486 4.3486 4.3942 4.3942 4.4400 4.4400 4.4786 4.4786 5.2701 5.2701 5.3574 5.3574 6.1617 6.1617 6.5578 6.5578 7.4390 7.4390 7.8416 7.8416 8.4241 8.4241 8.9254 8.9254 9.5767 9.5767 10.1079 10.1079 11.2814 11.2814 k = 0.3553 0.2051-0.0000 ( 6611 PWs) bands (ev): -19.2977 -19.2977 -19.2952 -19.2952 -6.4611 -6.4611 -6.4545 -6.4545 -4.8971 -4.8971 -4.8915 -4.8915 -4.2432 -4.2432 -4.1864 -4.1864 0.2517 0.2517 0.2945 0.2945 3.7274 3.7274 3.8087 3.8087 3.8368 3.8368 3.9241 3.9241 4.2024 4.2024 4.2899 4.2899 4.3511 4.3511 4.3972 4.3972 4.4451 4.4451 4.4898 4.4898 5.2859 5.2859 5.3820 5.3820 6.1739 6.1739 6.5034 6.5034 7.5130 7.5130 7.9087 7.9087 8.4862 8.4862 8.8917 8.8917 9.5391 9.5391 9.9858 9.9858 11.2376 11.2376 k = 0.3684 0.2127-0.0000 ( 6615 PWs) bands (ev): -19.2965 -19.2965 -19.2943 -19.2943 -6.4718 -6.4718 -6.4658 -6.4658 -4.9118 -4.9118 -4.9066 -4.9066 -4.2415 -4.2415 -4.1885 -4.1885 0.2956 0.2956 0.3308 0.3308 3.7233 3.7233 3.8096 3.8096 3.8396 3.8396 3.9288 3.9288 4.1971 4.1971 4.2929 4.2929 4.3531 4.3531 4.4000 4.4000 4.4500 4.4500 4.5002 4.5002 5.3039 5.3039 5.4090 5.4090 6.1871 6.1871 6.4492 6.4492 7.5856 7.5856 7.9743 7.9743 8.5453 8.5453 8.8640 8.8640 9.5045 9.5045 9.8700 9.8700 11.1664 11.1664 k = 0.3816 0.2203-0.0000 ( 6615 PWs) bands (ev): -19.2955 -19.2955 -19.2933 -19.2933 -6.4819 -6.4819 -6.4763 -6.4763 -4.9252 -4.9252 -4.9203 -4.9203 -4.2399 -4.2399 -4.1906 -4.1906 0.3360 0.3360 0.3638 0.3638 3.7191 3.7191 3.8105 3.8105 3.8421 3.8421 3.9329 3.9329 4.1923 4.1923 4.2961 4.2961 4.3548 4.3548 4.4026 4.4026 4.4546 4.4546 4.5099 4.5099 5.3236 5.3236 5.4383 5.4383 6.1981 6.1981 6.3983 6.3983 7.6558 7.6558 8.0375 8.0375 8.6008 8.6008 8.8423 8.8423 9.4731 9.4731 9.7615 9.7615 11.0627 11.0627 k = 0.3947 0.2279-0.0000 ( 6615 PWs) bands (ev): -19.2945 -19.2945 -19.2925 -19.2925 -6.4912 -6.4912 -6.4858 -6.4858 -4.9372 -4.9372 -4.9326 -4.9326 -4.2382 -4.2382 -4.1925 -4.1925 0.3726 0.3726 0.3935 0.3935 3.7150 3.7150 3.8112 3.8112 3.8445 3.8445 3.9363 3.9363 4.1879 4.1879 4.2993 4.2993 4.3563 4.3563 4.4050 4.4050 4.4589 4.4589 4.5187 4.5187 5.3442 5.3442 5.4701 5.4701 6.2005 6.2005 6.3567 6.3567 7.7225 7.7225 8.0973 8.0973 8.6511 8.6511 8.8274 8.8274 9.4448 9.4448 9.6615 9.6615 10.9586 10.9586 k = 0.4079 0.2355-0.0000 ( 6615 PWs) bands (ev): -19.2936 -19.2936 -19.2918 -19.2918 -6.4996 -6.4996 -6.4944 -6.4944 -4.9478 -4.9478 -4.9435 -4.9435 -4.2366 -4.2366 -4.1944 -4.1944 0.4052 0.4052 0.4198 0.4198 3.7111 3.7111 3.8118 3.8118 3.8466 3.8466 3.9392 3.9392 4.1840 4.1840 4.3023 4.3023 4.3575 4.3575 4.4072 4.4072 4.4629 4.4629 4.5266 4.5266 5.3652 5.3652 5.5043 5.5043 6.1840 6.1840 6.3345 6.3345 7.7847 7.7847 8.1526 8.1526 8.6937 8.6937 8.8210 8.8210 9.4197 9.4197 9.5709 9.5709 10.8596 10.8596 k = 0.4211 0.2431-0.0000 ( 6623 PWs) bands (ev): -19.2928 -19.2928 -19.2911 -19.2911 -6.5071 -6.5071 -6.5019 -6.5019 -4.9570 -4.9570 -4.9530 -4.9530 -4.2350 -4.2350 -4.1961 -4.1961 0.4338 0.4338 0.4426 0.4426 3.7076 3.7076 3.8121 3.8121 3.8486 3.8486 3.9416 3.9416 4.1806 4.1806 4.3052 4.3052 4.3585 4.3585 4.4092 4.4092 4.4664 4.4664 4.5334 4.5334 5.3856 5.3856 5.5409 5.5409 6.1464 6.1464 6.3332 6.3332 7.8414 7.8414 8.2022 8.2022 8.7248 8.7248 8.8259 8.8259 9.3979 9.3979 9.4909 9.4909 10.7681 10.7681 k = 0.4342 0.2507-0.0000 ( 6617 PWs) bands (ev): -19.2921 -19.2921 -19.2905 -19.2905 -6.5136 -6.5136 -6.5083 -6.5083 -4.9648 -4.9648 -4.9610 -4.9610 -4.2336 -4.2336 -4.1977 -4.1977 0.4581 0.4581 0.4620 0.4620 3.7044 3.7044 3.8123 3.8123 3.8503 3.8503 3.9435 3.9435 4.1778 4.1778 4.3079 4.3079 4.3593 4.3593 4.4109 4.4109 4.4695 4.4695 4.5393 4.5393 5.4048 5.4048 5.5798 5.5798 6.0972 6.0972 6.3428 6.3428 7.8916 7.8916 8.2451 8.2451 8.7422 8.7422 8.8427 8.8427 9.3793 9.3793 9.4224 9.4224 10.6865 10.6865 k = 0.4474 0.2583-0.0000 ( 6619 PWs) bands (ev): -19.2916 -19.2916 -19.2901 -19.2901 -6.5190 -6.5190 -6.5136 -6.5136 -4.9711 -4.9711 -4.9675 -4.9675 -4.2323 -4.2323 -4.1991 -4.1991 0.4777 0.4777 0.4783 0.4783 3.7017 3.7017 3.8123 3.8123 3.8518 3.8518 3.9451 3.9451 4.1754 4.1754 4.3101 4.3101 4.3600 4.3600 4.4123 4.4123 4.4721 4.4721 4.5441 4.5441 5.4219 5.4219 5.6210 5.6210 6.0439 6.0439 6.3555 6.3555 7.9343 7.9343 8.2806 8.2806 8.7508 8.7508 8.8653 8.8653 9.3632 9.3632 9.3670 9.3670 10.6166 10.6166 k = 0.4605 0.2659-0.0000 ( 6620 PWs) bands (ev): -19.2911 -19.2911 -19.2897 -19.2897 -6.5232 -6.5232 -6.5178 -6.5178 -4.9761 -4.9761 -4.9726 -4.9726 -4.2312 -4.2312 -4.2003 -4.2003 0.4901 0.4901 0.4939 0.4939 3.6995 3.6995 3.8122 3.8122 3.8529 3.8529 3.9462 3.9462 4.1736 4.1736 4.3120 4.3120 4.3606 4.3606 4.4134 4.4134 4.4741 4.4741 4.5478 4.5478 5.4361 5.4361 5.6640 5.6640 5.9898 5.9898 6.3676 6.3676 7.9686 7.9686 8.3081 8.3081 8.7559 8.7559 8.8866 8.8866 9.3225 9.3225 9.3524 9.3524 10.5600 10.5600 k = 0.4737 0.2735-0.0000 ( 6630 PWs) bands (ev): -19.2908 -19.2908 -19.2895 -19.2895 -6.5263 -6.5263 -6.5208 -6.5208 -4.9796 -4.9796 -4.9763 -4.9763 -4.2304 -4.2304 -4.2011 -4.2011 0.4989 0.4989 0.5052 0.5052 3.6979 3.6979 3.8121 3.8121 3.8538 3.8538 3.9470 3.9470 4.1723 4.1723 4.3133 4.3133 4.3609 4.3609 4.4142 4.4142 4.4756 4.4756 4.5505 4.5505 5.4467 5.4467 5.7079 5.7079 5.9374 5.9374 6.3773 6.3773 7.9938 7.9938 8.3276 8.3276 8.7595 8.7595 8.9030 8.9030 9.2920 9.2920 9.3438 9.3438 10.5184 10.5184 k = 0.4868 0.2811-0.0000 ( 6644 PWs) bands (ev): -19.2906 -19.2906 -19.2893 -19.2893 -6.5281 -6.5281 -6.5226 -6.5226 -4.9817 -4.9817 -4.9785 -4.9785 -4.2298 -4.2298 -4.2017 -4.2017 0.5041 0.5041 0.5119 0.5119 3.6969 3.6969 3.8120 3.8120 3.8543 3.8543 3.9475 3.9475 4.1716 4.1716 4.3142 4.3142 4.3611 4.3611 4.4147 4.4147 4.4764 4.4764 4.5521 4.5521 5.4533 5.4533 5.7493 5.7493 5.8908 5.8908 6.3834 6.3834 8.0091 8.0091 8.3391 8.3391 8.7618 8.7618 8.9129 8.9129 9.2741 9.2741 9.3387 9.3387 10.4928 10.4928 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5288 -6.5288 -6.5232 -6.5232 -4.9824 -4.9824 -4.9792 -4.9792 -4.2296 -4.2296 -4.2019 -4.2019 0.5059 0.5059 0.5142 0.5142 3.6966 3.6966 3.8120 3.8120 3.8545 3.8545 3.9476 3.9476 4.1713 4.1713 4.3145 4.3145 4.3612 4.3612 4.4148 4.4148 4.4767 4.4767 4.5526 4.5526 5.4556 5.4556 5.7716 5.7716 5.8667 5.8667 6.3855 6.3855 8.0143 8.0143 8.3430 8.3430 8.7626 8.7626 8.9163 8.9163 9.2682 9.2682 9.3370 9.3370 10.4842 10.4842 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5288 -6.5288 -6.5232 -6.5232 -4.9824 -4.9824 -4.9792 -4.9792 -4.2296 -4.2296 -4.2019 -4.2019 0.5059 0.5059 0.5142 0.5142 3.6966 3.6966 3.8120 3.8120 3.8545 3.8545 3.9476 3.9476 4.1713 4.1713 4.3145 4.3145 4.3612 4.3612 4.4148 4.4148 4.4767 4.4767 4.5526 4.5526 5.4556 5.4556 5.7716 5.7716 5.8667 5.8667 6.3855 6.3855 8.0143 8.0143 8.3430 8.3430 8.7626 8.7626 8.9163 8.9163 9.2682 9.2682 9.3370 9.3370 10.4842 10.4842 k = 0.4924 0.3018-0.0000 ( 6640 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5375 -6.5375 -6.5143 -6.5143 -5.0035 -5.0035 -4.9589 -4.9589 -4.2308 -4.2308 -4.2015 -4.2015 0.4967 0.4967 0.5264 0.5264 3.6969 3.6969 3.8120 3.8120 3.8544 3.8544 3.9475 3.9475 4.1714 4.1714 4.3143 4.3143 4.3612 4.3612 4.4147 4.4147 4.4764 4.4764 4.5524 4.5524 5.4569 5.4569 5.7732 5.7732 5.8676 5.8676 6.3866 6.3866 8.0071 8.0071 8.3389 8.3389 8.7319 8.7319 8.9206 8.9206 9.2633 9.2633 9.3813 9.3813 10.4787 10.4787 k = 0.4848 0.3149-0.0000 ( 6638 PWs) bands (ev): -19.2905 -19.2905 -19.2892 -19.2892 -6.5484 -6.5484 -6.5031 -6.5031 -5.0267 -5.0267 -4.9379 -4.9379 -4.2340 -4.2340 -4.2004 -4.2004 0.4873 0.4873 0.5448 0.5448 3.6977 3.6977 3.8121 3.8121 3.8539 3.8539 3.9470 3.9470 4.1716 4.1716 4.3141 4.3141 4.3611 4.3611 4.4143 4.4143 4.4754 4.4754 4.5517 4.5517 5.4611 5.4611 5.7781 5.7781 5.8704 5.8704 6.3899 6.3899 7.9862 7.9862 8.3249 8.3249 8.6582 8.6582 8.9322 8.9322 9.2662 9.2662 9.4806 9.4806 10.4625 10.4625 k = 0.4773 0.3280-0.0000 ( 6646 PWs) bands (ev): -19.2904 -19.2904 -19.2891 -19.2891 -6.5592 -6.5592 -6.4918 -6.4918 -5.0504 -5.0504 -4.9176 -4.9176 -4.2388 -4.2388 -4.1991 -4.1991 0.4808 0.4808 0.5662 0.5662 3.6990 3.6990 3.8122 3.8122 3.8531 3.8531 3.9461 3.9461 4.1720 4.1720 4.3137 4.3137 4.3610 4.3610 4.4135 4.4135 4.4737 4.4737 4.5505 4.5505 5.4681 5.4681 5.7861 5.7861 5.8750 5.8750 6.3954 6.3954 7.9529 7.9529 8.2959 8.2959 8.5712 8.5712 8.9502 8.9502 9.2795 9.2795 9.6070 9.6070 10.4367 10.4367 k = 0.4697 0.3412-0.0000 ( 6646 PWs) bands (ev): -19.2902 -19.2902 -19.2890 -19.2890 -6.5698 -6.5698 -6.4804 -6.4804 -5.0746 -5.0746 -4.8983 -4.8983 -4.2449 -4.2449 -4.1978 -4.1978 0.4771 0.4771 0.5901 0.5901 3.7009 3.7009 3.8124 3.8124 3.8521 3.8521 3.9450 3.9450 4.1725 4.1725 4.3131 4.3131 4.3609 4.3609 4.4126 4.4126 4.4716 4.4716 4.5488 4.5488 5.4779 5.4779 5.7971 5.7971 5.8815 5.8815 6.4031 6.4031 7.9089 7.9089 8.2433 8.2433 8.4932 8.4932 8.9742 8.9742 9.2999 9.2999 9.7484 9.7484 10.4031 10.4031 k = 0.4621 0.3543-0.0000 ( 6646 PWs) bands (ev): -19.2901 -19.2901 -19.2888 -19.2888 -6.5801 -6.5801 -6.4692 -6.4692 -5.0991 -5.0991 -4.8799 -4.8799 -4.2519 -4.2519 -4.1967 -4.1967 0.4764 0.4764 0.6163 0.6163 3.7033 3.7033 3.8126 3.8126 3.8508 3.8508 3.9435 3.9435 4.1732 4.1732 4.3122 4.3122 4.3608 4.3608 4.4114 4.4114 4.4691 4.4691 4.5466 4.5466 5.4908 5.4908 5.8110 5.8110 5.8899 5.8899 6.4130 6.4130 7.8559 7.8559 8.1629 8.1629 8.4348 8.4348 9.0035 9.0035 9.3257 9.3257 9.8988 9.8988 10.3638 10.3638 k = 0.4545 0.3674-0.0000 ( 6628 PWs) bands (ev): -19.2899 -19.2899 -19.2886 -19.2886 -6.5902 -6.5902 -6.4580 -6.4580 -5.1238 -5.1238 -4.8625 -4.8625 -4.2597 -4.2597 -4.1959 -4.1959 0.4783 0.4783 0.6445 0.6445 3.7061 3.7061 3.8128 3.8128 3.8493 3.8493 3.9418 3.9418 4.1741 4.1741 4.3111 4.3111 4.3608 4.3608 4.4101 4.4101 4.4664 4.4664 4.5441 4.5441 5.5069 5.5069 5.8277 5.8277 5.9002 5.9002 6.4253 6.4253 7.7952 7.7952 8.0624 8.0624 8.3916 8.3916 9.0372 9.0372 9.3552 9.3552 10.0552 10.0552 10.3212 10.3212 k = 0.4470 0.3805-0.0000 ( 6618 PWs) bands (ev): -19.2896 -19.2896 -19.2884 -19.2884 -6.6000 -6.6000 -6.4471 -6.4471 -5.1484 -5.1484 -4.8460 -4.8460 -4.2682 -4.2682 -4.1953 -4.1953 0.4826 0.4826 0.6742 0.6742 3.7093 3.7093 3.8130 3.8130 3.8476 3.8476 3.9397 3.9397 4.1752 4.1752 4.3097 4.3097 4.3607 4.3607 4.4088 4.4088 4.4636 4.4636 4.5411 4.5411 5.5262 5.5262 5.8468 5.8468 5.9126 5.9126 6.4398 6.4398 7.7280 7.7280 7.9523 7.9523 8.3550 8.3550 9.0745 9.0745 9.3873 9.3873 10.2127 10.2127 10.2804 10.2804 k = 0.4394 0.3936-0.0000 ( 6618 PWs) bands (ev): -19.2894 -19.2894 -19.2882 -19.2882 -6.6094 -6.6094 -6.4363 -6.4363 -5.1728 -5.1728 -4.8306 -4.8306 -4.2771 -4.2771 -4.1951 -4.1951 0.4891 0.4891 0.7051 0.7051 3.7128 3.7128 3.8131 3.8131 3.8457 3.8457 3.9374 3.9374 4.1765 4.1765 4.3078 4.3078 4.3608 4.3608 4.4074 4.4074 4.4608 4.4608 4.5378 4.5378 5.5490 5.5490 5.8681 5.8681 5.9269 5.9269 6.4566 6.4566 7.6549 7.6549 7.8393 7.8393 8.3199 8.3199 9.1145 9.1145 9.4211 9.4211 10.2292 10.2292 10.3844 10.3844 k = 0.4318 0.4068-0.0000 ( 6620 PWs) bands (ev): -19.2891 -19.2891 -19.2879 -19.2879 -6.6184 -6.6184 -6.4260 -6.4260 -5.1969 -5.1969 -4.8162 -4.8162 -4.2863 -4.2863 -4.1950 -4.1950 0.4974 0.4974 0.7368 0.7368 3.7166 3.7166 3.8131 3.8131 3.8436 3.8436 3.9348 3.9348 4.1781 4.1781 4.3055 4.3055 4.3610 4.3610 4.4060 4.4060 4.4581 4.4581 4.5341 4.5341 5.5754 5.5754 5.8915 5.8915 5.9434 5.9434 6.4756 6.4756 7.5764 7.5764 7.7272 7.7272 8.2837 8.2837 9.1564 9.1564 9.4557 9.4557 10.1887 10.1887 10.5210 10.5210 k = 0.4242 0.4199-0.0000 ( 6624 PWs) bands (ev): -19.2888 -19.2888 -19.2876 -19.2876 -6.6270 -6.6270 -6.4160 -6.4160 -5.2204 -5.2204 -4.8028 -4.8028 -4.2957 -4.2957 -4.1952 -4.1952 0.5073 0.5073 0.7687 0.7687 3.7207 3.7207 3.8129 3.8129 3.8416 3.8416 3.9319 3.9319 4.1799 4.1799 4.3027 4.3027 4.3613 4.3613 4.4048 4.4048 4.4556 4.4556 4.5301 4.5301 5.6055 5.6055 5.9167 5.9167 5.9620 5.9620 6.4968 6.4968 7.4925 7.4925 7.6184 7.6184 8.2453 8.2453 9.1998 9.1998 9.4904 9.4904 10.1514 10.1514 10.4660 10.4660 k = 0.4167 0.4330-0.0000 ( 6636 PWs) bands (ev): -19.2885 -19.2885 -19.2873 -19.2873 -6.6352 -6.6352 -6.4065 -6.4065 -5.2431 -5.2430 -4.7906 -4.7906 -4.3050 -4.3050 -4.1954 -4.1954 0.5184 0.5184 0.8005 0.8005 3.7249 3.7249 3.8125 3.8125 3.8396 3.8396 3.9289 3.9289 4.1821 4.1821 4.2994 4.2994 4.3618 4.3618 4.4037 4.4037 4.4534 4.4534 4.5258 4.5258 5.6395 5.6395 5.9433 5.9433 5.9828 5.9828 6.5200 6.5200 7.4033 7.4033 7.5145 7.5145 8.2044 8.2044 9.2440 9.2440 9.5244 9.5244 10.1190 10.1190 10.4089 10.4089 k = 0.4091 0.4461-0.0000 ( 6632 PWs) bands (ev): -19.2882 -19.2882 -19.2871 -19.2871 -6.6428 -6.6428 -6.3976 -6.3976 -5.2647 -5.2647 -4.7794 -4.7794 -4.3142 -4.3142 -4.1958 -4.1958 0.5302 0.5302 0.8316 0.8316 3.7292 3.7292 3.8117 3.8117 3.8379 3.8379 3.9257 3.9257 4.1846 4.1846 4.2957 4.2957 4.3625 4.3625 4.4030 4.4030 4.4516 4.4516 4.5215 4.5215 5.6774 5.6774 5.9711 5.9711 6.0058 6.0058 6.5448 6.5448 7.3095 7.3095 7.4165 7.4165 8.1606 8.1606 9.2889 9.2889 9.5573 9.5573 10.0924 10.0924 10.3549 10.3549 k = 0.4015 0.4593-0.0000 ( 6628 PWs) bands (ev): -19.2879 -19.2879 -19.2868 -19.2868 -6.6500 -6.6500 -6.3893 -6.3893 -5.2851 -5.2851 -4.7694 -4.7694 -4.3231 -4.3231 -4.1963 -4.1963 0.5425 0.5425 0.8615 0.8615 3.7337 3.7337 3.8104 3.8104 3.8366 3.8366 3.9224 3.9224 4.1875 4.1875 4.2915 4.2915 4.3634 4.3634 4.4024 4.4024 4.4501 4.4501 4.5170 4.5170 5.7191 5.7191 5.9999 5.9999 6.0312 6.0312 6.5707 6.5707 7.2129 7.2129 7.3239 7.3239 8.1143 8.1143 9.3342 9.3342 9.5885 9.5885 10.0721 10.0721 10.3042 10.3042 k = 0.3939 0.4724-0.0000 ( 6628 PWs) bands (ev): -19.2876 -19.2876 -19.2865 -19.2865 -6.6565 -6.6565 -6.3818 -6.3818 -5.3040 -5.3040 -4.7605 -4.7605 -4.3314 -4.3314 -4.1968 -4.1968 0.5549 0.5549 0.8898 0.8898 3.7381 3.7381 3.8086 3.8086 3.8358 3.8358 3.9191 3.9191 4.1908 4.1908 4.2869 4.2869 4.3645 4.3645 4.4022 4.4022 4.4488 4.4488 4.5125 4.5125 5.7646 5.7646 6.0293 6.0293 6.0587 6.0587 6.5968 6.5968 7.1159 7.1159 7.2362 7.2362 8.0660 8.0660 9.3799 9.3799 9.6178 9.6178 10.0578 10.0578 10.2569 10.2569 k = 0.3864 0.4855-0.0000 ( 6624 PWs) bands (ev): -19.2873 -19.2873 -19.2862 -19.2862 -6.6625 -6.6625 -6.3751 -6.3751 -5.3213 -5.3213 -4.7529 -4.7529 -4.3390 -4.3390 -4.1972 -4.1972 0.5669 0.5669 0.9161 0.9161 3.7425 3.7425 3.8063 3.8063 3.8354 3.8354 3.9158 3.9158 4.1943 4.1943 4.2821 4.2821 4.3658 4.3658 4.4022 4.4022 4.4478 4.4478 4.5081 4.5081 5.8137 5.8137 6.0591 6.0591 6.0885 6.0885 6.6213 6.6213 7.0208 7.0208 7.1532 7.1532 8.0165 8.0165 9.4262 9.4262 9.6447 9.6447 10.0488 10.0488 10.2117 10.2117 k = 0.3788 0.4986-0.0000 ( 6610 PWs) bands (ev): -19.2870 -19.2870 -19.2860 -19.2860 -6.6678 -6.6678 -6.3692 -6.3692 -5.3367 -5.3367 -4.7463 -4.7463 -4.3459 -4.3459 -4.1977 -4.1977 0.5782 0.5782 0.9398 0.9398 3.7469 3.7469 3.8036 3.8036 3.8355 3.8355 3.9125 3.9125 4.1982 4.1982 4.2772 4.2772 4.3672 4.3672 4.4024 4.4024 4.4470 4.4470 4.5040 4.5040 5.8659 5.8659 6.0888 6.0888 6.1202 6.1202 6.6415 6.6415 6.9301 6.9301 7.0760 7.0760 7.9669 7.9669 9.4733 9.4733 9.6691 9.6691 10.0440 10.0440 10.1649 10.1649 k = 0.3712 0.5117-0.0000 ( 6614 PWs) bands (ev): -19.2868 -19.2868 -19.2857 -19.2857 -6.6724 -6.6724 -6.3642 -6.3642 -5.3500 -5.3500 -4.7410 -4.7410 -4.3518 -4.3518 -4.1981 -4.1981 0.5885 0.5885 0.9607 0.9607 3.7510 3.7510 3.8006 3.8006 3.8358 3.8358 3.9095 3.9095 4.2022 4.2022 4.2723 4.2723 4.3686 4.3686 4.4026 4.4026 4.4464 4.4464 4.5002 4.5002 5.9204 5.9204 6.1181 6.1181 6.1533 6.1533 6.6516 6.6516 6.8475 6.8475 7.0074 7.0074 7.9190 7.9190 9.5216 9.5216 9.6907 9.6907 10.0406 10.0406 10.1135 10.1135 k = 0.3636 0.5249-0.0000 ( 6614 PWs) bands (ev): -19.2866 -19.2866 -19.2856 -19.2856 -6.6762 -6.6762 -6.3602 -6.3602 -5.3612 -5.3612 -4.7368 -4.7368 -4.3567 -4.3567 -4.1985 -4.1985 0.5975 0.5975 0.9783 0.9783 3.7549 3.7549 3.7976 3.7976 3.8364 3.8364 3.9067 3.9067 4.2061 4.2061 4.2676 4.2676 4.3701 4.3701 4.4029 4.4029 4.4459 4.4459 4.4969 4.4969 5.9762 5.9762 6.1461 6.1461 6.1871 6.1871 6.6415 6.6415 6.7797 6.7797 6.9525 6.9525 7.8747 7.8747 9.5715 9.5715 9.7093 9.7093 10.0263 10.0263 10.0704 10.0704 k = 0.3561 0.5380-0.0000 ( 6622 PWs) bands (ev): -19.2864 -19.2864 -19.2854 -19.2854 -6.6793 -6.6793 -6.3571 -6.3571 -5.3699 -5.3699 -4.7337 -4.7337 -4.3605 -4.3605 -4.1988 -4.1988 0.6049 0.6049 0.9923 0.9923 3.7583 3.7583 3.7947 3.7947 3.8371 3.8371 3.9043 3.9043 4.2099 4.2099 4.2633 4.2633 4.3714 4.3714 4.4031 4.4031 4.4455 4.4455 4.4941 4.4941 6.0314 6.0314 6.1716 6.1716 6.2194 6.2194 6.6042 6.6042 6.7315 6.7315 6.9165 6.9165 7.8362 7.8362 9.6235 9.6235 9.7244 9.7244 9.9784 9.9784 10.0600 10.0600 k = 0.3485 0.5511-0.0000 ( 6628 PWs) bands (ev): -19.2863 -19.2863 -19.2853 -19.2853 -6.6815 -6.6815 -6.3550 -6.3550 -5.3763 -5.3763 -4.7316 -4.7316 -4.3632 -4.3632 -4.1990 -4.1990 0.6105 0.6105 1.0026 1.0026 3.7611 3.7611 3.7923 3.7923 3.8378 3.8378 3.9025 3.9025 4.2131 4.2131 4.2598 4.2598 4.3725 4.3725 4.4032 4.4032 4.4452 4.4452 4.4921 4.4921 6.0832 6.0832 6.1922 6.1922 6.2465 6.2465 6.5545 6.5545 6.6958 6.6958 6.8990 6.8990 7.8063 7.8063 9.6777 9.6777 9.7359 9.7359 9.9189 9.9189 10.0605 10.0605 k = 0.3409 0.5642-0.0000 ( 6616 PWs) bands (ev): -19.2862 -19.2862 -19.2852 -19.2852 -6.6829 -6.6829 -6.3538 -6.3538 -5.3801 -5.3801 -4.7305 -4.7305 -4.3648 -4.3648 -4.1991 -4.1991 0.6139 0.6139 1.0089 1.0089 3.7630 3.7630 3.7906 3.7906 3.8382 3.8382 3.9014 3.9014 4.2153 4.2153 4.2575 4.2575 4.3733 4.3733 4.4033 4.4033 4.4451 4.4451 4.4909 4.4909 6.1260 6.1260 6.2048 6.2048 6.2621 6.2621 6.5144 6.5144 6.6708 6.6708 6.8922 6.8922 7.7872 7.7872 9.7340 9.7340 9.7437 9.7437 9.8576 9.8576 10.0620 10.0620 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1991 -4.1991 0.6151 0.6151 1.0110 1.0110 3.7636 3.7636 3.7901 3.7901 3.8384 3.8384 3.9010 3.9010 4.2160 4.2160 4.2566 4.2566 4.3736 4.3736 4.4033 4.4033 4.4451 4.4451 4.4905 4.4905 6.1451 6.1451 6.2093 6.2093 6.2641 6.2641 6.4996 6.4996 6.6620 6.6620 6.8902 6.8902 7.7807 7.7807 9.7458 9.7458 9.7865 9.7865 9.8038 9.8038 10.0627 10.0627 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1991 -4.1991 0.6151 0.6151 1.0110 1.0110 3.7636 3.7636 3.7901 3.7901 3.8384 3.8384 3.9010 3.9010 4.2160 4.2160 4.2566 4.2566 4.3736 4.3736 4.4033 4.4033 4.4451 4.4451 4.4905 4.4905 6.1451 6.1451 6.2093 6.2093 6.2641 6.2641 6.4996 6.4996 6.6620 6.6620 6.8902 6.8902 7.7807 7.7807 9.7458 9.7458 9.7865 9.7865 9.8038 9.8038 10.0627 10.0627 k = 0.3258 0.5642-0.0000 ( 6620 PWs) bands (ev): -19.2862 -19.2862 -19.2852 -19.2852 -6.6829 -6.6829 -6.3537 -6.3537 -5.3801 -5.3801 -4.7304 -4.7304 -4.3648 -4.3648 -4.1991 -4.1991 0.6139 0.6139 1.0088 1.0088 3.7630 3.7630 3.7906 3.7906 3.8382 3.8382 3.9014 3.9014 4.2153 4.2153 4.2574 4.2574 4.3732 4.3732 4.4033 4.4033 4.4451 4.4451 4.4909 4.4909 6.1257 6.1257 6.1967 6.1967 6.2731 6.2731 6.5123 6.5123 6.6687 6.6687 6.8938 6.8938 7.7871 7.7871 9.7281 9.7281 9.7487 9.7487 9.8585 9.8585 10.0620 10.0620 k = 0.3182 0.5511-0.0000 ( 6632 PWs) bands (ev): -19.2863 -19.2863 -19.2853 -19.2853 -6.6814 -6.6814 -6.3547 -6.3547 -5.3763 -5.3763 -4.7312 -4.7312 -4.3634 -4.3634 -4.1990 -4.1990 0.6101 0.6101 1.0024 1.0024 3.7615 3.7615 3.7919 3.7919 3.8377 3.8377 3.9025 3.9025 4.2133 4.2133 4.2594 4.2594 4.3722 4.3722 4.4035 4.4035 4.4451 4.4451 4.4920 4.4920 6.0803 6.0803 6.1585 6.1585 6.2981 6.2981 6.5419 6.5419 6.6807 6.6807 6.9107 6.9107 7.8054 7.8054 9.6677 9.6677 9.7417 9.7417 9.9239 9.9239 10.0600 10.0600 k = 0.3106 0.5380-0.0000 ( 6632 PWs) bands (ev): -19.2864 -19.2864 -19.2854 -19.2854 -6.6790 -6.6790 -6.3562 -6.3562 -5.3701 -5.3701 -4.7324 -4.7324 -4.3612 -4.3612 -4.1988 -4.1988 0.6037 0.6037 0.9916 0.9916 3.7594 3.7594 3.7936 3.7936 3.8369 3.8369 3.9044 3.9044 4.2105 4.2105 4.2622 4.2622 4.3705 4.3705 4.4039 4.4039 4.4452 4.4452 4.4939 4.4939 6.0236 6.0236 6.1078 6.1078 6.3262 6.3262 6.5729 6.5729 6.6913 6.6913 6.9495 6.9495 7.8331 7.8331 9.6053 9.6053 9.7329 9.7329 9.9914 9.9914 10.0582 10.0582 k = 0.3030 0.5249-0.0000 ( 6626 PWs) bands (ev): -19.2867 -19.2867 -19.2856 -19.2856 -6.6754 -6.6754 -6.3581 -6.3581 -5.3615 -5.3615 -4.7339 -4.7339 -4.3582 -4.3582 -4.1985 -4.1985 0.5945 0.5945 0.9766 0.9766 3.7570 3.7570 3.7953 3.7953 3.8360 3.8360 3.9069 3.9069 4.2074 4.2074 4.2653 4.2653 4.3683 4.3683 4.4046 4.4046 4.4451 4.4451 4.4963 4.4963 5.9627 5.9627 6.0515 6.0515 6.3528 6.3528 6.5827 6.5827 6.7157 6.7157 7.0096 7.0096 7.8671 7.8671 9.5426 9.5426 9.7214 9.7214 10.0450 10.0450 10.0725 10.0725 k = 0.2955 0.5117-0.0000 ( 6624 PWs) bands (ev): -19.2870 -19.2870 -19.2859 -19.2859 -6.6708 -6.6708 -6.3602 -6.3602 -5.3506 -5.3506 -4.7354 -4.7354 -4.3546 -4.3546 -4.1981 -4.1981 0.5825 0.5825 0.9573 0.9573 3.7546 3.7546 3.7968 3.7968 3.8352 3.8352 3.9097 3.9097 4.2042 4.2042 4.2684 4.2684 4.3657 4.3657 4.4053 4.4053 4.4449 4.4449 4.4991 4.4991 5.9008 5.9008 5.9930 5.9930 6.3760 6.3760 6.5643 6.5643 6.7644 6.7644 7.0838 7.0838 7.9036 7.9036 9.4797 9.4797 9.7083 9.7083 10.0504 10.0504 10.1331 10.1331 k = 0.2879 0.4986-0.0000 ( 6620 PWs) bands (ev): -19.2874 -19.2874 -19.2863 -19.2863 -6.6652 -6.6652 -6.3624 -6.3624 -5.3376 -5.3376 -4.7369 -4.7369 -4.3505 -4.3505 -4.1976 -4.1976 0.5678 0.5678 0.9338 0.9338 3.7522 3.7522 3.7978 3.7978 3.8345 3.8345 3.9127 3.9127 4.2012 4.2012 4.2714 4.2714 4.3628 4.3628 4.4061 4.4061 4.4445 4.4445 4.5022 4.5022 5.8398 5.8398 5.9343 5.9343 6.3921 6.3921 6.5350 6.5350 6.8278 6.8278 7.1655 7.1655 7.9390 7.9390 9.4163 9.4163 9.6951 9.6951 10.0545 10.0545 10.1792 10.1792 k = 0.2803 0.4855-0.0000 ( 6612 PWs) bands (ev): -19.2879 -19.2879 -19.2867 -19.2867 -6.6584 -6.6584 -6.3645 -6.3645 -5.3226 -5.3226 -4.7381 -4.7381 -4.3460 -4.3460 -4.1971 -4.1971 0.5502 0.5502 0.9064 0.9064 3.7500 3.7500 3.7984 3.7984 3.8342 3.8342 3.9157 3.9157 4.1985 4.1985 4.2740 4.2740 4.3599 4.3599 4.4069 4.4069 4.4439 4.4439 4.5055 4.5055 5.7806 5.7806 5.8764 5.8764 6.3916 6.3916 6.5137 6.5137 6.8991 6.8991 7.2498 7.2498 7.9698 7.9698 9.3520 9.3520 9.6838 9.6838 10.0647 10.0647 10.2162 10.2162 k = 0.2727 0.4724-0.0000 ( 6616 PWs) bands (ev): -19.2885 -19.2885 -19.2872 -19.2872 -6.6506 -6.6506 -6.3665 -6.3665 -5.3055 -5.3055 -4.7391 -4.7391 -4.3412 -4.3412 -4.1965 -4.1965 0.5298 0.5298 0.8750 0.8750 3.7478 3.7478 3.7984 3.7984 3.8341 3.8341 3.9185 3.9185 4.1962 4.1962 4.2763 4.2763 4.3569 4.3569 4.4075 4.4075 4.4430 4.4430 4.5087 4.5087 5.7236 5.7236 5.8201 5.8201 6.3664 6.3664 6.5135 6.5135 6.9760 6.9760 7.3330 7.3330 7.9927 7.9927 9.2862 9.2862 9.6769 9.6769 10.0840 10.0840 10.2544 10.2544 k = 0.2652 0.4593-0.0000 ( 6614 PWs) bands (ev): -19.2892 -19.2892 -19.2877 -19.2877 -6.6416 -6.6416 -6.3681 -6.3681 -5.2867 -5.2867 -4.7397 -4.7397 -4.3361 -4.3361 -4.1958 -4.1958 0.5066 0.5066 0.8399 0.8399 3.7458 3.7458 3.7981 3.7981 3.8344 3.8344 3.9209 3.9209 4.1945 4.1945 4.2782 4.2782 4.3540 4.3540 4.4079 4.4079 4.4418 4.4418 4.5116 4.5116 5.6693 5.6693 5.7658 5.7658 6.3251 6.3251 6.5284 6.5284 7.0574 7.0574 7.4119 7.4119 8.0053 8.0053 9.2186 9.2186 9.6769 9.6769 10.1147 10.1147 10.2954 10.2954 k = 0.2576 0.4461-0.0000 ( 6606 PWs) bands (ev): -19.2899 -19.2899 -19.2884 -19.2884 -6.6316 -6.6316 -6.3693 -6.3693 -5.2662 -5.2662 -4.7397 -4.7397 -4.3309 -4.3309 -4.1950 -4.1950 0.4805 0.4805 0.8012 0.8012 3.7440 3.7440 3.7976 3.7976 3.8348 3.8348 3.9228 3.9228 4.1934 4.1934 4.2798 4.2798 4.3511 4.3511 4.4081 4.4081 4.4403 4.4403 4.5141 4.5141 5.6179 5.6179 5.7140 5.7140 6.2783 6.2783 6.5495 6.5495 7.1426 7.1426 7.4837 7.4837 8.0057 8.0057 9.1487 9.1487 9.6866 9.6866 10.1588 10.1588 10.3389 10.3389 k = 0.2500 0.4330-0.0000 ( 6618 PWs) bands (ev): -19.2907 -19.2907 -19.2891 -19.2891 -6.6205 -6.6205 -6.3700 -6.3700 -5.2441 -5.2441 -4.7392 -4.7392 -4.3256 -4.3256 -4.1942 -4.1942 0.4518 0.4518 0.7591 0.7591 3.7424 3.7424 3.7970 3.7970 3.8353 3.8353 3.9241 3.9241 4.1929 4.1929 4.2810 4.2810 4.3483 4.3483 4.4079 4.4079 4.4385 4.4385 4.5159 4.5159 5.5696 5.5696 5.6647 5.6647 6.2311 6.2311 6.5733 6.5733 7.2312 7.2312 7.5459 7.5459 7.9933 7.9933 9.0761 9.0761 9.7083 9.7083 10.2170 10.2170 10.3845 10.3845 k = 0.2424 0.4199-0.0000 ( 6616 PWs) bands (ev): -19.2917 -19.2917 -19.2899 -19.2899 -6.6084 -6.6084 -6.3701 -6.3701 -5.2204 -5.2204 -4.7380 -4.7380 -4.3203 -4.3203 -4.1932 -4.1932 0.4202 0.4202 0.7137 0.7137 3.7408 3.7408 3.7964 3.7964 3.8358 3.8358 3.9247 3.9247 4.1931 4.1931 4.2821 4.2821 4.3457 4.3457 4.4074 4.4074 4.4363 4.4363 4.5169 4.5169 5.5245 5.5245 5.6181 5.6181 6.1857 6.1857 6.5984 6.5984 7.3226 7.3226 7.5965 7.5965 7.9687 7.9687 9.0010 9.0010 9.7442 9.7442 10.2891 10.2891 10.4316 10.4316 k = 0.2348 0.4068-0.0000 ( 6620 PWs) bands (ev): -19.2926 -19.2926 -19.2907 -19.2907 -6.5953 -6.5953 -6.3696 -6.3696 -5.1954 -5.1954 -4.7361 -4.7361 -4.3151 -4.3151 -4.1921 -4.1921 0.3860 0.3860 0.6653 0.6653 3.7395 3.7395 3.7961 3.7961 3.8360 3.8360 3.9245 3.9245 4.1939 4.1939 4.2831 4.2831 4.3430 4.3430 4.4064 4.4064 4.4339 4.4339 4.5167 4.5167 5.4827 5.4827 5.5745 5.5745 6.1436 6.1436 6.6244 6.6244 7.4156 7.4156 7.6345 7.6345 7.9334 7.9334 8.9235 8.9235 9.7955 9.7955 10.3736 10.3736 10.4800 10.4800 k = 0.2273 0.3936-0.0000 ( 6620 PWs) bands (ev): -19.2937 -19.2937 -19.2916 -19.2916 -6.5813 -6.5813 -6.3684 -6.3684 -5.1691 -5.1691 -4.7334 -4.7334 -4.3100 -4.3100 -4.1910 -4.1910 0.3492 0.3492 0.6141 0.6141 3.7383 3.7383 3.7961 3.7961 3.8360 3.8360 3.9236 3.9236 4.1955 4.1955 4.2840 4.2840 4.3404 4.3404 4.4049 4.4049 4.4311 4.4311 4.5153 4.5153 5.4444 5.4444 5.5337 5.5337 6.1056 6.1056 6.6510 6.6510 7.5069 7.5069 7.6607 7.6607 7.8906 7.8906 8.8441 8.8441 9.8624 9.8624 10.4650 10.4650 10.5322 10.5322 k = 0.2197 0.3805-0.0000 ( 6620 PWs) bands (ev): -19.2948 -19.2948 -19.2926 -19.2926 -6.5664 -6.5664 -6.3664 -6.3664 -5.1415 -5.1415 -4.7298 -4.7298 -4.3050 -4.3050 -4.1897 -4.1897 0.3098 0.3098 0.5603 0.5603 3.7373 3.7373 3.7964 3.7964 3.8356 3.8356 3.9218 3.9218 4.1976 4.1976 4.2849 4.2849 4.3378 4.3378 4.4027 4.4027 4.4282 4.4282 4.5124 4.5124 5.4094 5.4094 5.4960 5.4960 6.0726 6.0726 6.6780 6.6780 7.5837 7.5837 7.6823 7.6823 7.8478 7.8478 8.7631 8.7631 9.9443 9.9443 10.5418 10.5418 10.6066 10.6066 k = 0.2121 0.3674-0.0000 ( 6616 PWs) bands (ev): -19.2960 -19.2960 -19.2937 -19.2937 -6.5506 -6.5506 -6.3638 -6.3638 -5.1128 -5.1128 -4.7253 -4.7253 -4.3002 -4.3002 -4.1883 -4.1883 0.2678 0.2678 0.5041 0.5041 3.7365 3.7365 3.7970 3.7970 3.8349 3.8349 3.9192 3.9192 4.2004 4.2004 4.2859 4.2859 4.3352 4.3352 4.3999 4.3999 4.4250 4.4250 4.5081 4.5081 5.3779 5.3779 5.4614 5.4614 6.0451 6.0451 6.7053 6.7053 7.6114 7.6114 7.7077 7.7077 7.8339 7.8339 8.6812 8.6812 10.0399 10.0399 10.5894 10.5894 10.7143 10.7143 k = 0.2045 0.3543-0.0000 ( 6608 PWs) bands (ev): -19.2973 -19.2973 -19.2948 -19.2948 -6.5342 -6.5342 -6.3603 -6.3603 -5.0830 -5.0830 -4.7198 -4.7198 -4.2957 -4.2957 -4.1867 -4.1867 0.2233 0.2233 0.4458 0.4458 3.7360 3.7360 3.7980 3.7980 3.8338 3.8338 3.9158 3.9158 4.2037 4.2037 4.2870 4.2870 4.3325 4.3325 4.3963 4.3963 4.4218 4.4218 4.5023 4.5023 5.3498 5.3498 5.4300 5.4300 6.0233 6.0233 6.7328 6.7328 7.5895 7.5895 7.6936 7.6936 7.8957 7.8957 8.5988 8.5988 10.1473 10.1473 10.6242 10.6242 10.8351 10.8351 k = 0.1970 0.3412-0.0000 ( 6610 PWs) bands (ev): -19.2986 -19.2986 -19.2960 -19.2960 -6.5171 -6.5171 -6.3562 -6.3562 -5.0522 -5.0522 -4.7133 -4.7133 -4.2914 -4.2914 -4.1850 -4.1850 0.1764 0.1764 0.3856 0.3856 3.7358 3.7358 3.7992 3.7992 3.8323 3.8323 3.9114 3.9114 4.2074 4.2074 4.2882 4.2882 4.3297 4.3297 4.3919 4.3919 4.4185 4.4185 4.4952 4.4952 5.3251 5.3251 5.4018 5.4018 6.0077 6.0077 6.7602 6.7602 7.5399 7.5399 7.6592 7.6592 7.9953 7.9953 8.5163 8.5163 10.2642 10.2642 10.6505 10.6505 10.9617 10.9617 k = 0.1894 0.3280-0.0000 ( 6602 PWs) bands (ev): -19.3000 -19.3000 -19.2972 -19.2972 -6.4996 -6.4996 -6.3514 -6.3514 -5.0205 -5.0205 -4.7058 -4.7058 -4.2874 -4.2874 -4.1832 -4.1832 0.1272 0.1272 0.3238 0.3238 3.7358 3.7358 3.8007 3.8007 3.8305 3.8305 3.9062 3.9062 4.2116 4.2116 4.2895 4.2895 4.3267 4.3267 4.3864 4.3864 4.4153 4.4153 4.4868 4.4868 5.3036 5.3036 5.3770 5.3770 5.9981 5.9981 6.7870 6.7870 7.4753 7.4753 7.6214 7.6214 8.1064 8.1064 8.4341 8.4341 10.3881 10.3881 10.6689 10.6689 11.0909 11.0909 k = 0.1818 0.3149-0.0000 ( 6598 PWs) bands (ev): -19.3014 -19.3014 -19.2984 -19.2984 -6.4815 -6.4815 -6.3459 -6.3459 -4.9880 -4.9880 -4.6971 -4.6971 -4.2837 -4.2837 -4.1812 -4.1812 0.0757 0.0757 0.2607 0.2607 3.7361 3.7361 3.8024 3.8024 3.8283 3.8283 3.9002 3.9002 4.2162 4.2162 4.2909 4.2909 4.3237 4.3237 4.3800 4.3800 4.4121 4.4121 4.4775 4.4775 5.2851 5.2851 5.3558 5.3558 5.9948 5.9948 6.8128 6.8128 7.4042 7.4042 7.5806 7.5806 8.2230 8.2230 8.3525 8.3525 10.5160 10.5160 10.6804 10.6804 11.2195 11.2195 k = 0.1742 0.3018-0.0000 ( 6592 PWs) bands (ev): -19.3028 -19.3028 -19.2997 -19.2997 -6.4632 -6.4632 -6.3398 -6.3398 -4.9547 -4.9547 -4.6873 -4.6873 -4.2804 -4.2804 -4.1790 -4.1790 0.0220 0.0220 0.1967 0.1967 3.7367 3.7367 3.8040 3.8040 3.8260 3.8260 3.8932 3.8932 4.2210 4.2210 4.2923 4.2923 4.3206 4.3206 4.3727 4.3727 4.4090 4.4090 4.4676 4.4676 5.2693 5.2693 5.3385 5.3385 5.9973 5.9973 6.8364 6.8364 7.3317 7.3317 7.5367 7.5367 8.2698 8.2698 8.3454 8.3454 10.6385 10.6385 10.6930 10.6930 11.3415 11.3415 k = 0.1667 0.2887-0.0000 ( 6596 PWs) bands (ev): -19.3043 -19.3043 -19.3010 -19.3010 -6.4448 -6.4448 -6.3331 -6.3331 -4.9208 -4.9208 -4.6764 -4.6764 -4.2773 -4.2773 -4.1767 -4.1767 -0.0337 -0.0337 0.1320 0.1320 3.7375 3.7375 3.8054 3.8054 3.8236 3.8236 3.8854 3.8854 4.2260 4.2260 4.2938 4.2938 4.3173 4.3173 4.3643 4.3643 4.4060 4.4060 4.4575 4.4575 5.2559 5.2559 5.3254 5.3254 6.0056 6.0056 6.8561 6.8561 7.2620 7.2620 7.4902 7.4902 8.1896 8.1896 8.4692 8.4692 10.6744 10.6744 10.7869 10.7869 11.4329 11.4329 k = 0.1591 0.2756-0.0000 ( 6592 PWs) bands (ev): -19.3057 -19.3057 -19.3023 -19.3023 -6.4262 -6.4262 -6.3258 -6.3258 -4.8863 -4.8863 -4.6643 -4.6643 -4.2746 -4.2746 -4.1743 -4.1743 -0.0914 -0.0914 0.0670 0.0670 3.7384 3.7384 3.8063 3.8063 3.8217 3.8217 3.8769 3.8769 4.2309 4.2309 4.2952 4.2952 4.3139 4.3139 4.3551 4.3551 4.4031 4.4031 4.4477 4.4477 5.2443 5.2443 5.3172 5.3172 6.0192 6.0192 6.8684 6.8684 7.1996 7.1996 7.4419 7.4419 8.1094 8.1094 8.5965 8.5965 10.6721 10.6721 10.9125 10.9125 11.4506 11.4506 k = 0.1515 0.2624-0.0000 ( 6592 PWs) bands (ev): -19.3072 -19.3072 -19.3037 -19.3037 -6.4078 -6.4078 -6.3182 -6.3182 -4.8514 -4.8514 -4.6511 -4.6511 -4.2722 -4.2722 -4.1718 -4.1718 -0.1508 -0.1508 0.0021 0.0021 3.7394 3.7394 3.8060 3.8060 3.8207 3.8207 3.8675 3.8675 4.2357 4.2357 4.2963 4.2963 4.3107 4.3107 4.3453 4.3453 4.4003 4.4003 4.4383 4.4383 5.2341 5.2341 5.3141 5.3141 6.0376 6.0376 6.8675 6.8675 7.1511 7.1511 7.3927 7.3927 8.0296 8.0296 8.7266 8.7266 10.6662 10.6662 11.0337 11.0337 11.4348 11.4348 k = 0.1439 0.2493-0.0000 ( 6600 PWs) bands (ev): -19.3087 -19.3087 -19.3050 -19.3050 -6.3896 -6.3896 -6.3101 -6.3101 -4.8162 -4.8162 -4.6368 -4.6368 -4.2701 -4.2701 -4.1691 -4.1691 -0.2117 -0.2117 -0.0625 -0.0625 3.7404 3.7404 3.8044 3.8044 3.8208 3.8208 3.8576 3.8576 4.2399 4.2399 4.2969 4.2969 4.3078 4.3078 4.3351 4.3351 4.3977 4.3977 4.4296 4.4296 5.2251 5.2251 5.3162 5.3162 6.0603 6.0603 6.8475 6.8475 7.1232 7.1232 7.3434 7.3434 7.9501 7.9501 8.8591 8.8591 10.6598 10.6598 11.1453 11.1453 11.4141 11.4141 k = 0.1364 0.2362-0.0000 ( 6596 PWs) bands (ev): -19.3102 -19.3102 -19.3064 -19.3064 -6.3718 -6.3718 -6.3016 -6.3016 -4.7808 -4.7808 -4.6214 -4.6214 -4.2682 -4.2682 -4.1663 -4.1663 -0.2737 -0.2737 -0.1266 -0.1266 3.7413 3.7413 3.8018 3.8018 3.8217 3.8217 3.8473 3.8473 4.2433 4.2433 4.2964 4.2964 4.3059 4.3059 4.3250 4.3250 4.3953 4.3953 4.4219 4.4219 5.2172 5.2172 5.3238 5.3238 6.0865 6.0865 6.8086 6.8086 7.1161 7.1161 7.2950 7.2950 7.8709 7.8709 8.9939 8.9939 10.6541 10.6541 11.2426 11.2426 11.3938 11.3938 k = 0.1288 0.2231-0.0000 ( 6592 PWs) bands (ev): -19.3116 -19.3116 -19.3077 -19.3077 -6.3545 -6.3545 -6.2929 -6.2929 -4.7454 -4.7454 -4.6051 -4.6051 -4.2665 -4.2665 -4.1634 -4.1634 -0.3366 -0.3366 -0.1897 -0.1897 3.7419 3.7419 3.7987 3.7987 3.8221 3.8221 3.8376 3.8376 4.2451 4.2451 4.2946 4.2946 4.3052 4.3052 4.3158 4.3158 4.3931 4.3931 4.4151 4.4151 5.2105 5.2105 5.3365 5.3365 6.1156 6.1156 6.7579 6.7579 7.1228 7.1228 7.2483 7.2483 7.7918 7.7918 9.1307 9.1307 10.6505 10.6505 11.3206 11.3206 11.3759 11.3759 k = 0.1212 0.2099-0.0000 ( 6600 PWs) bands (ev): -19.3131 -19.3131 -19.3090 -19.3090 -6.3379 -6.3379 -6.2839 -6.2839 -4.7102 -4.7102 -4.5878 -4.5878 -4.2651 -4.2651 -4.1605 -4.1605 -0.3999 -0.3999 -0.2517 -0.2517 3.7421 3.7421 3.7954 3.7954 3.8186 3.8186 3.8317 3.8317 4.2449 4.2449 4.2920 4.2920 4.3029 4.3029 4.3102 4.3102 4.3911 4.3911 4.4094 4.4094 5.2048 5.2048 5.3544 5.3544 6.1465 6.1465 6.7026 6.7026 7.1348 7.1348 7.2056 7.2056 7.7129 7.7129 9.2691 9.2691 10.6497 10.6497 11.3536 11.3536 11.3819 11.3819 k = 0.1136 0.1968-0.0000 ( 6600 PWs) bands (ev): -19.3145 -19.3145 -19.3103 -19.3103 -6.3221 -6.3221 -6.2747 -6.2747 -4.6753 -4.6753 -4.5697 -4.5697 -4.2638 -4.2638 -4.1574 -4.1574 -0.4631 -0.4631 -0.3124 -0.3124 3.7418 3.7418 3.7920 3.7920 3.8097 3.8097 3.8314 3.8314 4.2423 4.2423 4.2894 4.2894 4.2968 4.2968 4.3106 4.3106 4.3893 4.3893 4.4048 4.4048 5.2002 5.2002 5.3771 5.3771 6.1781 6.1781 6.6476 6.6476 7.1364 7.1364 7.1787 7.1787 7.6343 7.6343 9.4090 9.4090 10.6525 10.6525 11.3380 11.3380 11.4117 11.4117 k = 0.1061 0.1837-0.0000 ( 6600 PWs) bands (ev): -19.3158 -19.3158 -19.3115 -19.3115 -6.3072 -6.3072 -6.2653 -6.2653 -4.6410 -4.6410 -4.5509 -4.5509 -4.2627 -4.2627 -4.1544 -4.1544 -0.5257 -0.5257 -0.3714 -0.3714 3.7408 3.7408 3.7879 3.7879 3.8001 3.8001 3.8329 3.8329 4.2372 4.2372 4.2859 4.2859 4.2918 4.2918 4.3128 4.3128 4.3876 4.3876 4.4012 4.4012 5.1967 5.1967 5.4045 5.4045 6.2084 6.2084 6.5965 6.5965 7.1079 7.1079 7.1852 7.1852 7.5566 7.5566 9.5500 9.5500 10.6593 10.6593 11.3127 11.3127 11.4138 11.4138 k = 0.0985 0.1706-0.0000 ( 6594 PWs) bands (ev): -19.3171 -19.3171 -19.3127 -19.3127 -6.2935 -6.2935 -6.2559 -6.2559 -4.6076 -4.6076 -4.5317 -4.5317 -4.2616 -4.2616 -4.1512 -4.1512 -0.5872 -0.5872 -0.4286 -0.4286 3.7392 3.7392 3.7813 3.7813 3.7932 3.7932 3.8348 3.8348 4.2305 4.2305 4.2808 4.2808 4.2894 4.2894 4.3156 4.3156 4.3859 4.3859 4.3988 4.3988 5.1942 5.1942 5.4364 5.4364 6.2348 6.2348 6.5526 6.5526 7.0729 7.0729 7.1993 7.1993 7.4809 7.4809 9.6917 9.6917 10.6706 10.6706 11.2577 11.2577 11.3722 11.3722 k = 0.0909 0.1575-0.0000 ( 6600 PWs) bands (ev): -19.3184 -19.3184 -19.3138 -19.3138 -6.2809 -6.2809 -6.2464 -6.2464 -4.5752 -4.5752 -4.5121 -4.5121 -4.2607 -4.2607 -4.1480 -4.1480 -0.6470 -0.6470 -0.4837 -0.4837 3.7368 3.7368 3.7718 3.7718 3.7898 3.7898 3.8367 3.8367 4.2229 4.2229 4.2753 4.2753 4.2879 4.2879 4.3189 4.3189 4.3842 4.3842 4.3973 4.3973 5.1926 5.1926 5.4724 5.4724 6.2534 6.2534 6.5198 6.5198 7.0399 7.0399 7.2088 7.2088 7.4108 7.4108 9.8335 9.8335 10.6865 10.6865 11.1718 11.1718 11.3534 11.3534 k = 0.0833 0.1443-0.0000 ( 6596 PWs) bands (ev): -19.3195 -19.3195 -19.3149 -19.3149 -6.2695 -6.2695 -6.2369 -6.2369 -4.5443 -4.5443 -4.4925 -4.4925 -4.2597 -4.2597 -4.1448 -4.1448 -0.7047 -0.7047 -0.5362 -0.5362 3.7337 3.7337 3.7617 3.7617 3.7881 3.7881 3.8386 3.8386 4.2149 4.2149 4.2700 4.2700 4.2867 4.2867 4.3223 4.3223 4.3825 4.3825 4.3967 4.3967 5.1917 5.1917 5.5123 5.5123 6.2597 6.2597 6.5025 6.5025 7.0105 7.0105 7.2021 7.2021 7.3560 7.3560 9.9748 9.9748 10.7072 10.7072 11.0760 11.0760 11.3408 11.3408 k = 0.0758 0.1312-0.0000 ( 6588 PWs) bands (ev): -19.3206 -19.3206 -19.3159 -19.3159 -6.2593 -6.2593 -6.2277 -6.2277 -4.5152 -4.5152 -4.4729 -4.4729 -4.2588 -4.2588 -4.1415 -4.1415 -0.7597 -0.7597 -0.5860 -0.5860 3.7299 3.7299 3.7522 3.7522 3.7871 3.7871 3.8404 3.8404 4.2070 4.2070 4.2649 4.2649 4.2855 4.2855 4.3257 4.3257 4.3811 4.3811 4.3967 4.3967 5.1914 5.1914 5.5555 5.5555 6.2523 6.2523 6.5016 6.5016 6.9854 6.9854 7.1645 7.1645 7.3311 7.3311 10.1148 10.1148 10.7319 10.7319 10.9804 10.9804 11.3104 11.3104 k = 0.0682 0.1181-0.0000 ( 6578 PWs) bands (ev): -19.3217 -19.3217 -19.3168 -19.3168 -6.2503 -6.2503 -6.2189 -6.2189 -4.4882 -4.4882 -4.4538 -4.4538 -4.2578 -4.2578 -4.1382 -4.1382 -0.8114 -0.8114 -0.6326 -0.6326 3.7253 3.7253 3.7437 3.7437 3.7864 3.7864 3.8421 3.8421 4.1996 4.1996 4.2602 4.2602 4.2842 4.2842 4.3289 4.3289 4.3799 4.3799 4.3971 4.3971 5.1916 5.1916 5.6014 5.6014 6.2353 6.2353 6.5126 6.5126 6.9649 6.9649 7.1015 7.1015 7.3303 7.3303 10.2524 10.2524 10.7577 10.7577 10.8922 10.8922 11.2713 11.2713 k = 0.0606 0.1050-0.0000 ( 6595 PWs) bands (ev): -19.3226 -19.3226 -19.3177 -19.3177 -6.2423 -6.2423 -6.2107 -6.2107 -4.4637 -4.4637 -4.4352 -4.4352 -4.2568 -4.2568 -4.1349 -4.1349 -0.8594 -0.8594 -0.6757 -0.6757 3.7198 3.7198 3.7367 3.7367 3.7860 3.7860 3.8436 3.8436 4.1926 4.1926 4.2558 4.2558 4.2829 4.2829 4.3318 4.3318 4.3789 4.3789 4.3977 4.3977 5.1922 5.1922 5.6492 5.6492 6.2148 6.2148 6.5292 6.5292 6.9490 6.9490 7.0288 7.0288 7.3385 7.3385 10.3851 10.3851 10.7591 10.7591 10.8408 10.8408 11.2317 11.2317 k = 0.0530 0.0919-0.0000 ( 6583 PWs) bands (ev): -19.3234 -19.3234 -19.3185 -19.3185 -6.2353 -6.2353 -6.2032 -6.2032 -4.4420 -4.4420 -4.4176 -4.4176 -4.2556 -4.2556 -4.1317 -4.1317 -0.9031 -0.9031 -0.7149 -0.7149 3.7137 3.7137 3.7312 3.7312 3.7858 3.7858 3.8451 3.8451 4.1863 4.1863 4.2518 4.2518 4.2817 4.2817 4.3344 4.3344 4.3782 4.3782 4.3985 4.3985 5.1931 5.1931 5.6977 5.6977 6.1956 6.1956 6.5465 6.5465 6.9317 6.9317 6.9593 6.9593 7.3490 7.3490 10.5055 10.5055 10.7078 10.7078 10.8625 10.8625 11.1940 11.1940 k = 0.0455 0.0787-0.0000 ( 6569 PWs) bands (ev): -19.3241 -19.3241 -19.3191 -19.3191 -6.2293 -6.2293 -6.1965 -6.1965 -4.4233 -4.4233 -4.4011 -4.4011 -4.2544 -4.2544 -4.1285 -4.1285 -0.9421 -0.9421 -0.7497 -0.7497 3.7076 3.7076 3.7269 3.7269 3.7857 3.7857 3.8463 3.8463 4.1808 4.1808 4.2483 4.2483 4.2806 4.2806 4.3367 4.3367 4.3778 4.3778 4.3994 4.3994 5.1941 5.1941 5.7451 5.7451 6.1811 6.1811 6.5618 6.5618 6.8688 6.8688 6.9399 6.9399 7.3596 7.3596 10.5651 10.5651 10.7030 10.7030 10.9064 10.9064 11.1596 11.1596 k = 0.0379 0.0656-0.0000 ( 6577 PWs) bands (ev): -19.3248 -19.3248 -19.3197 -19.3197 -6.2242 -6.2242 -6.1907 -6.1907 -4.4077 -4.4077 -4.3863 -4.3863 -4.2532 -4.2532 -4.1255 -4.1255 -0.9760 -0.9760 -0.7799 -0.7799 3.7019 3.7019 3.7235 3.7235 3.7856 3.7856 3.8474 3.8474 4.1761 4.1761 4.2452 4.2452 4.2795 4.2795 4.3385 4.3385 4.3775 4.3775 4.4002 4.4002 5.1951 5.1951 5.7892 5.7892 6.1743 6.1743 6.5740 6.5740 6.7932 6.7932 6.9384 6.9384 7.3692 7.3692 10.5284 10.5284 10.7941 10.7941 10.9583 10.9583 11.1297 11.1297 k = 0.0303 0.0525-0.0000 ( 6565 PWs) bands (ev): -19.3253 -19.3253 -19.3202 -19.3202 -6.2200 -6.2200 -6.1860 -6.1860 -4.3951 -4.3951 -4.3736 -4.3736 -4.2519 -4.2519 -4.1229 -4.1229 -1.0043 -1.0043 -0.8051 -0.8051 3.6970 3.6970 3.7208 3.7208 3.7856 3.7856 3.8483 3.8483 4.1722 4.1722 4.2427 4.2427 4.2786 4.2786 4.3400 4.3400 4.3774 4.3774 4.4010 4.4010 5.1961 5.1961 5.8272 5.8272 6.1774 6.1774 6.5827 6.5827 6.7193 6.7193 6.9408 6.9408 7.3773 7.3773 10.4787 10.4787 10.8981 10.8981 11.0160 11.0160 11.1055 11.1055 k = 0.0227 0.0394-0.0000 ( 6573 PWs) bands (ev): -19.3257 -19.3257 -19.3206 -19.3206 -6.2168 -6.2168 -6.1822 -6.1822 -4.3854 -4.3854 -4.3635 -4.3635 -4.2507 -4.2507 -4.1206 -4.1206 -1.0267 -1.0267 -0.8251 -0.8251 3.6931 3.6931 3.7187 3.7187 3.7856 3.7856 3.8489 3.8489 4.1691 4.1691 4.2407 4.2407 4.2779 4.2779 4.3411 4.3411 4.3774 4.3774 4.4017 4.4017 5.1969 5.1969 5.8565 5.8565 6.1914 6.1914 6.5882 6.5882 6.6502 6.6502 6.9450 6.9450 7.3838 7.3838 10.4363 10.4363 10.9938 10.9938 11.0679 11.0679 11.0990 11.0990 k = 0.0152 0.0262-0.0000 ( 6557 PWs) bands (ev): -19.3260 -19.3260 -19.3208 -19.3208 -6.2145 -6.2145 -6.1795 -6.1795 -4.3785 -4.3785 -4.3562 -4.3562 -4.2497 -4.2497 -4.1188 -4.1188 -1.0429 -1.0429 -0.8395 -0.8395 3.6902 3.6902 3.7172 3.7172 3.7856 3.7856 3.8494 3.8494 4.1670 4.1670 4.2393 4.2393 4.2773 4.2773 4.3419 4.3419 4.3774 4.3774 4.4022 4.4022 5.1976 5.1976 5.8760 5.8760 6.2138 6.2138 6.5839 6.5839 6.5970 6.5970 6.9493 6.9493 7.3885 7.3885 10.4046 10.4046 11.0643 11.0643 11.0766 11.0766 11.1589 11.1589 k = 0.0076 0.0131-0.0000 ( 6551 PWs) bands (ev): -19.3262 -19.3262 -19.3210 -19.3210 -6.2131 -6.2131 -6.1779 -6.1779 -4.3744 -4.3744 -4.3518 -4.3518 -4.2491 -4.2491 -4.1178 -4.1178 -1.0527 -1.0527 -0.8482 -0.8482 3.6885 3.6885 3.7163 3.7163 3.7856 3.7856 3.8497 3.8497 4.1657 4.1657 4.2384 4.2384 4.2770 4.2770 4.3424 4.3424 4.3774 4.3774 4.4024 4.4024 5.1980 5.1980 5.8867 5.8867 6.2368 6.2368 6.5427 6.5427 6.5950 6.5950 6.9525 6.9525 7.3913 7.3913 10.3852 10.3852 11.0571 11.0571 11.1413 11.1413 11.2314 11.2314 k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.3262 -19.3262 -19.3211 -19.3211 -6.2126 -6.2126 -6.1774 -6.1774 -4.3730 -4.3730 -4.3503 -4.3503 -4.2489 -4.2489 -4.1174 -4.1174 -1.0560 -1.0560 -0.8512 -0.8512 3.6879 3.6879 3.7161 3.7161 3.7855 3.7855 3.8498 3.8498 4.1653 4.1653 4.2381 4.2381 4.2769 4.2769 4.3425 4.3425 4.3774 4.3774 4.4025 4.4025 5.1981 5.1981 5.8900 5.8900 6.2471 6.2471 6.5253 6.5253 6.5954 6.5954 6.9536 6.9536 7.3923 7.3923 10.3787 10.3787 11.0544 11.0544 11.1719 11.1719 11.2926 11.2926 k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.3262 -19.3262 -19.3211 -19.3211 -6.2126 -6.2126 -6.1774 -6.1774 -4.3730 -4.3730 -4.3503 -4.3503 -4.2489 -4.2489 -4.1174 -4.1174 -1.0560 -1.0560 -0.8512 -0.8512 3.6879 3.6879 3.7161 3.7161 3.7855 3.7855 3.8498 3.8498 4.1653 4.1653 4.2381 4.2381 4.2769 4.2769 4.3425 4.3425 4.3774 4.3774 4.4025 4.4025 5.1981 5.1981 5.8900 5.8900 6.2471 6.2471 6.5253 6.5253 6.5954 6.5954 6.9536 6.9536 7.3923 7.3923 10.3787 10.3787 11.0544 11.0544 11.1719 11.1719 11.2926 11.2926 k = 0.0000 0.0000 0.0146 ( 6553 PWs) bands (ev): -19.3262 -19.3262 -19.3211 -19.3211 -6.2125 -6.2125 -6.1774 -6.1774 -4.3730 -4.3730 -4.3503 -4.3503 -4.2486 -4.2486 -4.1177 -4.1177 -1.0555 -1.0555 -0.8515 -0.8515 3.6882 3.6882 3.7163 3.7163 3.7855 3.7855 3.8496 3.8496 4.1656 4.1656 4.2381 4.2381 4.2771 4.2771 4.3421 4.3421 4.3772 4.3772 4.4019 4.4019 5.1989 5.1989 5.8912 5.8912 6.2485 6.2485 6.5141 6.5141 6.5940 6.5940 6.9522 6.9522 7.4065 7.4065 10.3735 10.3735 11.0559 11.0559 11.1731 11.1731 11.2941 11.2941 k = 0.0000 0.0000 0.0293 ( 6559 PWs) bands (ev): -19.3262 -19.3262 -19.3211 -19.3211 -6.2123 -6.2123 -6.1776 -6.1776 -4.3729 -4.3729 -4.3505 -4.3505 -4.2479 -4.2479 -4.1185 -4.1185 -1.0542 -1.0542 -0.8525 -0.8525 3.6890 3.6890 3.7171 3.7171 3.7854 3.7854 3.8489 3.8489 4.1665 4.1665 4.2379 4.2379 4.2775 4.2775 4.3407 4.3407 4.3768 4.3768 4.4001 4.4001 5.2013 5.2013 5.8948 5.8948 6.2526 6.2526 6.4826 6.4826 6.5901 6.5901 6.9479 6.9479 7.4471 7.4471 10.3580 10.3580 11.0602 11.0602 11.1767 11.1767 11.2988 11.2988 k = 0.0000 0.0000 0.0439 ( 6571 PWs) bands (ev): -19.3261 -19.3261 -19.3212 -19.3212 -6.2120 -6.2120 -6.1780 -6.1780 -4.3727 -4.3727 -4.3507 -4.3507 -4.2468 -4.2468 -4.1198 -4.1198 -1.0520 -1.0520 -0.8542 -0.8542 3.6904 3.6904 3.7184 3.7184 3.7852 3.7852 3.8478 3.8478 4.1681 4.1681 4.2378 4.2378 4.2782 4.2782 4.3384 4.3384 4.3760 4.3760 4.3971 4.3971 5.2052 5.2052 5.9006 5.9006 6.2593 6.2593 6.4357 6.4357 6.5837 6.5837 6.9409 6.9409 7.5092 7.5092 10.3328 10.3328 11.0674 11.0674 11.1829 11.1829 11.3064 11.3064 k = 0.0000 0.0000 0.0586 ( 6559 PWs) bands (ev): -19.3261 -19.3261 -19.3212 -19.3212 -6.2115 -6.2115 -6.1784 -6.1784 -4.3724 -4.3724 -4.3510 -4.3510 -4.2452 -4.2452 -4.1217 -4.1217 -1.0489 -1.0489 -0.8565 -0.8565 3.6924 3.6924 3.7203 3.7203 3.7849 3.7849 3.8463 3.8463 4.1704 4.1704 4.2376 4.2376 4.2792 4.2792 4.3354 4.3354 4.3749 4.3749 4.3929 4.3929 5.2108 5.2108 5.9083 5.9083 6.2687 6.2687 6.3790 6.3790 6.5747 6.5747 6.9312 6.9312 7.5874 7.5874 10.2983 10.2983 11.0776 11.0776 11.1917 11.1917 11.3167 11.3167 k = 0.0000 0.0000 0.0732 ( 6553 PWs) bands (ev): -19.3260 -19.3260 -19.3213 -19.3213 -6.2109 -6.2109 -6.1790 -6.1790 -4.3720 -4.3720 -4.3514 -4.3514 -4.2432 -4.2432 -4.1241 -4.1241 -1.0451 -1.0451 -0.8595 -0.8595 3.6949 3.6949 3.7226 3.7226 3.7844 3.7844 3.8442 3.8442 4.1733 4.1733 4.2374 4.2374 4.2804 4.2804 4.3317 4.3317 4.3735 4.3735 4.3877 4.3877 5.2181 5.2181 5.9176 5.9176 6.2805 6.2805 6.3169 6.3169 6.5633 6.5633 6.9188 6.9188 7.6773 7.6773 10.2552 10.2552 11.0907 11.0907 11.2033 11.2033 11.3295 11.3295 k = 0.0000 0.0000 0.0878 ( 6547 PWs) bands (ev): -19.3259 -19.3259 -19.3214 -19.3214 -6.2102 -6.2102 -6.1797 -6.1797 -4.3715 -4.3715 -4.3518 -4.3518 -4.2407 -4.2407 -4.1269 -4.1269 -1.0404 -1.0404 -0.8631 -0.8631 3.6979 3.6979 3.7255 3.7255 3.7837 3.7837 3.8418 3.8418 4.1769 4.1769 4.2372 4.2372 4.2816 4.2816 4.3277 4.3277 4.3718 4.3718 4.3814 4.3814 5.2272 5.2272 5.9275 5.9275 6.2534 6.2534 6.2948 6.2948 6.5496 6.5496 6.9040 6.9040 7.7757 7.7757 10.2044 10.2044 11.1067 11.1067 11.2175 11.2175 11.3390 11.3390 k = 0.0000 0.0000 0.1025 ( 6541 PWs) bands (ev): -19.3258 -19.3258 -19.3215 -19.3215 -6.2094 -6.2094 -6.1805 -6.1805 -4.3710 -4.3710 -4.3524 -4.3524 -4.2379 -4.2379 -4.1303 -4.1303 -1.0350 -1.0350 -0.8673 -0.8673 3.7014 3.7014 3.7288 3.7288 3.7829 3.7829 3.8390 3.8390 4.1811 4.1811 4.2371 4.2371 4.2827 4.2827 4.3234 4.3234 4.3698 4.3698 4.3742 4.3742 5.2382 5.2382 5.9362 5.9362 6.1921 6.1921 6.3114 6.3114 6.5337 6.5337 6.8868 6.8868 7.8805 7.8805 10.1464 10.1464 11.1257 11.1257 11.2339 11.2339 11.3471 11.3471 k = 0.0000 0.0000 0.1171 ( 6547 PWs) bands (ev): -19.3256 -19.3256 -19.3217 -19.3217 -6.2085 -6.2085 -6.1815 -6.1815 -4.3704 -4.3704 -4.3530 -4.3530 -4.2346 -4.2346 -4.1340 -4.1340 -1.0290 -1.0290 -0.8721 -0.8721 3.7052 3.7052 3.7326 3.7326 3.7818 3.7818 3.8357 3.8357 4.1859 4.1859 4.2370 4.2370 4.2835 4.2835 4.3194 4.3194 4.3662 4.3662 4.3676 4.3676 5.2512 5.2512 5.9399 5.9399 6.1381 6.1381 6.3301 6.3301 6.5157 6.5157 6.8675 6.8675 7.9899 7.9899 10.0818 10.0818 11.1476 11.1476 11.2521 11.2521 11.3560 11.3560 k = 0.0000 0.0000 0.1318 ( 6571 PWs) bands (ev): -19.3255 -19.3255 -19.3218 -19.3218 -6.2074 -6.2074 -6.1825 -6.1825 -4.3697 -4.3697 -4.3536 -4.3536 -4.2310 -4.2310 -4.1381 -4.1381 -1.0223 -1.0223 -0.8775 -0.8775 3.7094 3.7094 3.7367 3.7367 3.7805 3.7805 3.8320 3.8320 4.1913 4.1913 4.2370 4.2370 4.2835 4.2835 4.3161 4.3161 4.3575 4.3575 4.3651 4.3651 5.2663 5.2663 5.9306 5.9306 6.1002 6.1002 6.3508 6.3508 6.4959 6.4959 6.8461 6.8461 8.1029 8.1029 10.0111 10.0111 11.1726 11.1726 11.2718 11.2718 11.3653 11.3653 k = 0.0000 0.0000 0.1464 ( 6577 PWs) bands (ev): -19.3253 -19.3253 -19.3220 -19.3220 -6.2063 -6.2063 -6.1836 -6.1836 -4.3690 -4.3690 -4.3544 -4.3544 -4.2270 -4.2270 -4.1426 -4.1426 -1.0151 -1.0151 -0.8835 -0.8835 3.7138 3.7138 3.7411 3.7411 3.7789 3.7789 3.8280 3.8280 4.1973 4.1973 4.2373 4.2373 4.2824 4.2824 4.3140 4.3140 4.3482 4.3482 4.3624 4.3624 5.2836 5.2836 5.9012 5.9012 6.0860 6.0860 6.3733 6.3733 6.4742 6.4742 6.8229 6.8229 8.2184 8.2184 9.9346 9.9346 11.2005 11.2005 11.2921 11.2921 11.3749 11.3749 k = 0.0000 0.0000 0.1611 ( 6590 PWs) bands (ev): -19.3251 -19.3251 -19.3222 -19.3222 -6.2051 -6.2051 -6.1849 -6.1849 -4.3682 -4.3682 -4.3552 -4.3552 -4.2227 -4.2227 -4.1474 -4.1474 -1.0074 -1.0074 -0.8899 -0.8899 3.7186 3.7186 3.7460 3.7460 3.7770 3.7770 3.8236 3.8236 4.2040 4.2040 4.2377 4.2377 4.2798 4.2798 4.3136 4.3136 4.3384 4.3384 4.3594 4.3594 5.3033 5.3033 5.8563 5.8563 6.0911 6.0911 6.3975 6.3975 6.4510 6.4510 6.7981 6.7981 8.3357 8.3357 9.8528 9.8528 11.2313 11.2313 11.3127 11.3127 11.3842 11.3842 k = 0.0000 0.0000 0.1757 ( 6578 PWs) bands (ev): -19.3249 -19.3249 -19.3224 -19.3224 -6.2038 -6.2038 -6.1862 -6.1862 -4.3674 -4.3674 -4.3560 -4.3560 -4.2181 -4.2181 -4.1524 -4.1524 -0.9993 -0.9993 -0.8969 -0.8969 3.7236 3.7236 3.7511 3.7511 3.7747 3.7747 3.8188 3.8188 4.2113 4.2113 4.2384 4.2384 4.2762 4.2762 4.3146 4.3146 4.3283 4.3283 4.3561 4.3561 5.3254 5.3254 5.8048 5.8048 6.1067 6.1067 6.4231 6.4231 6.4265 6.4265 6.7719 6.7719 8.4541 8.4541 9.7660 9.7660 11.2650 11.2650 11.3327 11.3327 11.3931 11.3931 k = 0.0000 0.0000 0.1903 ( 6578 PWs) bands (ev): -19.3247 -19.3247 -19.3226 -19.3226 -6.2024 -6.2024 -6.1875 -6.1875 -4.3665 -4.3665 -4.3569 -4.3569 -4.2132 -4.2132 -4.1577 -4.1577 -0.9909 -0.9909 -0.9043 -0.9043 3.7286 3.7286 3.7565 3.7565 3.7721 3.7721 3.8138 3.8138 4.2191 4.2191 4.2394 4.2394 4.2719 4.2719 4.3167 4.3167 4.3179 4.3179 4.3527 4.3527 5.3501 5.3501 5.7519 5.7519 6.1277 6.1277 6.4007 6.4007 6.4500 6.4500 6.7444 6.7444 8.5730 8.5730 9.6743 9.6743 11.3014 11.3014 11.3515 11.3515 11.4010 11.4010 k = 0.0000 0.0000 0.2050 ( 6566 PWs) bands (ev): -19.3245 -19.3245 -19.3228 -19.3228 -6.2010 -6.2010 -6.1889 -6.1889 -4.3656 -4.3656 -4.3578 -4.3578 -4.2081 -4.2081 -4.1632 -4.1632 -0.9822 -0.9822 -0.9121 -0.9121 3.7338 3.7338 3.7622 3.7622 3.7691 3.7691 3.8086 3.8086 4.2275 4.2275 4.2408 4.2408 4.2672 4.2672 4.3073 4.3073 4.3196 4.3196 4.3492 4.3492 5.3775 5.3775 5.7000 5.7000 6.1518 6.1518 6.3740 6.3740 6.4779 6.4779 6.7160 6.7160 8.6919 8.6919 9.5782 9.5782 11.3403 11.3403 11.3686 11.3686 11.4077 11.4077 k = 0.0000 0.0000 0.2196 ( 6584 PWs) bands (ev): -19.3243 -19.3243 -19.3230 -19.3230 -6.1995 -6.1995 -6.1904 -6.1904 -4.3646 -4.3646 -4.3588 -4.3588 -4.2027 -4.2027 -4.1688 -4.1688 -0.9733 -0.9733 -0.9203 -0.9203 3.7389 3.7389 3.7657 3.7657 3.7679 3.7679 3.8030 3.8030 4.2363 4.2363 4.2425 4.2425 4.2626 4.2626 4.2967 4.2967 4.3228 4.3228 4.3454 4.3454 5.4077 5.4077 5.6499 5.6499 6.1777 6.1777 6.3464 6.3464 6.5068 6.5068 6.6868 6.6868 8.8101 8.8101 9.4779 9.4779 11.3808 11.3808 11.3833 11.3833 11.4133 11.4133 k = 0.0000 0.0000 0.2343 ( 6590 PWs) bands (ev): -19.3241 -19.3241 -19.3232 -19.3232 -6.1980 -6.1980 -6.1919 -6.1919 -4.3637 -4.3637 -4.3597 -4.3597 -4.1973 -4.1973 -4.1745 -4.1745 -0.9643 -0.9643 -0.9287 -0.9287 3.7439 3.7439 3.7619 3.7619 3.7738 3.7738 3.7973 3.7973 4.2448 4.2448 4.2456 4.2456 4.2583 4.2583 4.2861 4.2861 4.3263 4.3263 4.3416 4.3416 5.4407 5.4407 5.6024 5.6024 6.2049 6.2049 6.3183 6.3183 6.5363 6.5363 6.6570 6.6570 8.9271 8.9271 9.3738 9.3738 11.3954 11.3954 11.4107 11.4107 11.4292 11.4292 k = 0.0000 0.0000 0.2489 ( 6602 PWs) bands (ev): -19.3239 -19.3239 -19.3234 -19.3234 -6.1965 -6.1965 -6.1934 -6.1934 -4.3627 -4.3627 -4.3607 -4.3607 -4.1917 -4.1917 -4.1802 -4.1802 -0.9553 -0.9553 -0.9374 -0.9374 3.7487 3.7487 3.7578 3.7578 3.7797 3.7797 3.7915 3.7915 4.2474 4.2474 4.2542 4.2542 4.2553 4.2553 4.2756 4.2756 4.3301 4.3301 4.3378 4.3378 5.4767 5.4767 5.5576 5.5576 6.2329 6.2329 6.2899 6.2899 6.5663 6.5663 6.6268 6.6268 9.0425 9.0425 9.2663 9.2663 11.4045 11.4045 11.4130 11.4130 11.4715 11.4715 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.3237 -19.3237 -19.3237 -19.3237 -6.1950 -6.1950 -6.1950 -6.1950 -4.3617 -4.3617 -4.3617 -4.3617 -4.1860 -4.1860 -4.1860 -4.1860 -0.9463 -0.9463 -0.9463 -0.9463 3.7534 3.7534 3.7534 3.7534 3.7856 3.7856 3.7856 3.7856 4.2506 4.2506 4.2506 4.2506 4.2653 4.2653 4.2653 4.2653 4.3339 4.3339 4.3339 4.3339 5.5157 5.5157 5.5157 5.5157 6.2613 6.2613 6.2613 6.2613 6.5965 6.5965 6.5965 6.5965 9.1557 9.1557 9.1557 9.1557 11.4104 11.4104 11.4104 11.4104 11.4845 11.4845 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.3237 -19.3237 -19.3237 -19.3237 -6.1950 -6.1950 -6.1950 -6.1950 -4.3617 -4.3617 -4.3617 -4.3617 -4.1860 -4.1860 -4.1860 -4.1860 -0.9463 -0.9463 -0.9463 -0.9463 3.7534 3.7534 3.7534 3.7534 3.7856 3.7856 3.7856 3.7856 4.2506 4.2506 4.2506 4.2506 4.2653 4.2653 4.2653 4.2653 4.3339 4.3339 4.3339 4.3339 5.5157 5.5157 5.5157 5.5157 6.2613 6.2613 6.2613 6.2613 6.5965 6.5965 6.5965 6.5965 9.1557 9.1557 9.1557 9.1557 11.4104 11.4104 11.4104 11.4104 11.4845 11.4845 k = 0.0132 0.0076 0.2635 ( 6614 PWs) bands (ev): -19.3236 -19.3236 -19.3236 -19.3236 -6.1955 -6.1955 -6.1955 -6.1955 -4.3632 -4.3632 -4.3632 -4.3632 -4.1862 -4.1862 -4.1862 -4.1862 -0.9432 -0.9432 -0.9432 -0.9432 3.7534 3.7534 3.7534 3.7534 3.7858 3.7858 3.7858 3.7858 4.2504 4.2504 4.2504 4.2504 4.2657 4.2657 4.2657 4.2657 4.3340 4.3340 4.3340 4.3340 5.5148 5.5148 5.5148 5.5148 6.2619 6.2619 6.2619 6.2619 6.5967 6.5967 6.5967 6.5967 9.1579 9.1579 9.1579 9.1579 11.4058 11.4058 11.4058 11.4058 11.4776 11.4776 k = 0.0263 0.0152 0.2635 ( 6612 PWs) bands (ev): -19.3234 -19.3234 -19.3234 -19.3234 -6.1970 -6.1970 -6.1970 -6.1970 -4.3675 -4.3675 -4.3675 -4.3675 -4.1870 -4.1870 -4.1870 -4.1870 -0.9339 -0.9339 -0.9339 -0.9339 3.7535 3.7535 3.7535 3.7535 3.7865 3.7865 3.7865 3.7865 4.2499 4.2499 4.2499 4.2499 4.2668 4.2668 4.2668 4.2668 4.3344 4.3344 4.3344 4.3344 5.5123 5.5123 5.5123 5.5123 6.2638 6.2638 6.2638 6.2638 6.5972 6.5972 6.5972 6.5972 9.1646 9.1646 9.1646 9.1646 11.3932 11.3932 11.3932 11.3932 11.4634 11.4634 k = 0.0395 0.0228 0.2635 ( 6608 PWs) bands (ev): -19.3231 -19.3231 -19.3231 -19.3231 -6.1995 -6.1995 -6.1995 -6.1995 -4.3748 -4.3748 -4.3748 -4.3748 -4.1881 -4.1881 -4.1881 -4.1881 -0.9185 -0.9185 -0.9185 -0.9185 3.7536 3.7536 3.7536 3.7536 3.7875 3.7875 3.7875 3.7875 4.2491 4.2491 4.2491 4.2491 4.2686 4.2686 4.2686 4.2686 4.3350 4.3350 4.3350 4.3350 5.5082 5.5082 5.5082 5.5082 6.2666 6.2666 6.2666 6.2666 6.5985 6.5985 6.5985 6.5985 9.1753 9.1753 9.1753 9.1753 11.3739 11.3739 11.3739 11.3739 11.4451 11.4451 k = 0.0526 0.0304 0.2635 ( 6612 PWs) bands (ev): -19.3227 -19.3227 -19.3227 -19.3227 -6.2030 -6.2030 -6.2030 -6.2030 -4.3849 -4.3849 -4.3849 -4.3849 -4.1896 -4.1896 -4.1896 -4.1896 -0.8973 -0.8973 -0.8973 -0.8973 3.7537 3.7537 3.7537 3.7537 3.7890 3.7890 3.7890 3.7890 4.2482 4.2482 4.2482 4.2482 4.2709 4.2709 4.2709 4.2709 4.3359 4.3359 4.3359 4.3359 5.5024 5.5024 5.5024 5.5024 6.2702 6.2702 6.2702 6.2702 6.6011 6.6011 6.6011 6.6011 9.1896 9.1896 9.1896 9.1896 11.3488 11.3488 11.3488 11.3488 11.4226 11.4226 k = 0.0658 0.0380 0.2635 ( 6616 PWs) bands (ev): -19.3222 -19.3222 -19.3222 -19.3222 -6.2075 -6.2075 -6.2075 -6.2075 -4.3978 -4.3978 -4.3978 -4.3978 -4.1913 -4.1913 -4.1913 -4.1913 -0.8705 -0.8705 -0.8705 -0.8705 3.7539 3.7539 3.7539 3.7539 3.7909 3.7909 3.7909 3.7909 4.2472 4.2472 4.2472 4.2472 4.2736 4.2736 4.2736 4.2736 4.3371 4.3371 4.3371 4.3371 5.4950 5.4950 5.4950 5.4950 6.2741 6.2741 6.2741 6.2741 6.6058 6.6058 6.6058 6.6058 9.2068 9.2068 9.2068 9.2068 11.3176 11.3176 11.3176 11.3176 11.3954 11.3954 k = 0.0789 0.0456 0.2635 ( 6610 PWs) bands (ev): -19.3216 -19.3216 -19.3216 -19.3216 -6.2130 -6.2130 -6.2130 -6.2130 -4.4132 -4.4132 -4.4132 -4.4132 -4.1931 -4.1931 -4.1931 -4.1931 -0.8384 -0.8384 -0.8384 -0.8384 3.7541 3.7541 3.7541 3.7541 3.7931 3.7931 3.7931 3.7931 4.2461 4.2461 4.2461 4.2461 4.2768 4.2768 4.2768 4.2768 4.3386 4.3386 4.3386 4.3386 5.4862 5.4862 5.4862 5.4862 6.2779 6.2779 6.2779 6.2779 6.6133 6.6133 6.6133 6.6133 9.2261 9.2261 9.2261 9.2261 11.2803 11.2803 11.2803 11.2803 11.3629 11.3629 k = 0.0921 0.0532 0.2635 ( 6604 PWs) bands (ev): -19.3209 -19.3209 -19.3209 -19.3209 -6.2194 -6.2194 -6.2194 -6.2194 -4.4311 -4.4311 -4.4311 -4.4311 -4.1949 -4.1949 -4.1949 -4.1949 -0.8013 -0.8013 -0.8013 -0.8013 3.7544 3.7544 3.7544 3.7544 3.7957 3.7957 3.7957 3.7957 4.2450 4.2450 4.2450 4.2450 4.2804 4.2804 4.2804 4.2804 4.3405 4.3405 4.3405 4.3405 5.4759 5.4759 5.4759 5.4759 6.2812 6.2812 6.2812 6.2812 6.6244 6.6244 6.6244 6.6244 9.2464 9.2464 9.2464 9.2464 11.2368 11.2368 11.2368 11.2368 11.3245 11.3245 k = 0.1053 0.0608 0.2635 ( 6596 PWs) bands (ev): -19.3201 -19.3201 -19.3201 -19.3201 -6.2267 -6.2267 -6.2267 -6.2267 -4.4511 -4.4511 -4.4511 -4.4511 -4.1967 -4.1967 -4.1967 -4.1967 -0.7598 -0.7598 -0.7598 -0.7598 3.7546 3.7546 3.7546 3.7546 3.7987 3.7987 3.7987 3.7987 4.2438 4.2438 4.2438 4.2438 4.2843 4.2843 4.2843 4.2843 4.3427 4.3427 4.3427 4.3427 5.4643 5.4643 5.4643 5.4643 6.2837 6.2837 6.2837 6.2837 6.6399 6.6399 6.6399 6.6399 9.2667 9.2667 9.2667 9.2667 11.1876 11.1876 11.1876 11.1876 11.2803 11.2803 k = 0.1184 0.0684 0.2635 ( 6592 PWs) bands (ev): -19.3192 -19.3192 -19.3192 -19.3192 -6.2349 -6.2349 -6.2349 -6.2349 -4.4729 -4.4729 -4.4729 -4.4729 -4.1984 -4.1984 -4.1984 -4.1984 -0.7143 -0.7143 -0.7143 -0.7143 3.7549 3.7549 3.7549 3.7549 3.8019 3.8019 3.8019 3.8019 4.2427 4.2427 4.2427 4.2427 4.2885 4.2885 4.2885 4.2885 4.3453 4.3453 4.3453 4.3453 5.4515 5.4515 5.4515 5.4515 6.2854 6.2854 6.2854 6.2854 6.6602 6.6602 6.6602 6.6602 9.2858 9.2858 9.2858 9.2858 11.1330 11.1330 11.1330 11.1330 11.2313 11.2313 k = 0.1316 0.0760 0.2635 ( 6588 PWs) bands (ev): -19.3182 -19.3182 -19.3182 -19.3182 -6.2439 -6.2439 -6.2439 -6.2439 -4.4963 -4.4963 -4.4963 -4.4963 -4.2000 -4.2000 -4.2000 -4.2000 -0.6651 -0.6651 -0.6651 -0.6651 3.7553 3.7553 3.7553 3.7553 3.8054 3.8054 3.8054 3.8054 4.2416 4.2416 4.2416 4.2416 4.2931 4.2931 4.2931 4.2931 4.3482 4.3482 4.3482 4.3482 5.4378 5.4378 5.4378 5.4378 6.2864 6.2864 6.2864 6.2864 6.6856 6.6856 6.6856 6.6856 9.3026 9.3026 9.3026 9.3026 11.0740 11.0740 11.0740 11.0740 11.1791 11.1791 k = 0.1447 0.0836 0.2635 ( 6600 PWs) bands (ev): -19.3172 -19.3172 -19.3172 -19.3172 -6.2537 -6.2537 -6.2537 -6.2537 -4.5210 -4.5210 -4.5210 -4.5210 -4.2015 -4.2015 -4.2015 -4.2015 -0.6128 -0.6128 -0.6128 -0.6128 3.7556 3.7556 3.7556 3.7556 3.8090 3.8090 3.8090 3.8090 4.2405 4.2405 4.2405 4.2405 4.2978 4.2978 4.2978 4.2978 4.3514 4.3514 4.3514 4.3514 5.4232 5.4232 5.4232 5.4232 6.2869 6.2869 6.2869 6.2869 6.7161 6.7161 6.7161 6.7161 9.3157 9.3157 9.3157 9.3157 11.0121 11.0121 11.0121 11.0121 11.1252 11.1252 k = 0.1579 0.0912 0.2635 ( 6588 PWs) bands (ev): -19.3161 -19.3161 -19.3161 -19.3161 -6.2643 -6.2643 -6.2643 -6.2643 -4.5466 -4.5466 -4.5466 -4.5466 -4.2029 -4.2029 -4.2029 -4.2029 -0.5579 -0.5579 -0.5579 -0.5579 3.7561 3.7561 3.7561 3.7561 3.8129 3.8129 3.8129 3.8129 4.2396 4.2396 4.2396 4.2396 4.3028 4.3028 4.3028 4.3028 4.3548 4.3548 4.3548 4.3548 5.4081 5.4081 5.4081 5.4081 6.2873 6.2873 6.2873 6.2873 6.7515 6.7515 6.7515 6.7515 9.3241 9.3241 9.3241 9.3241 10.9492 10.9492 10.9492 10.9492 11.0708 11.0708 k = 0.1711 0.0988 0.2635 ( 6588 PWs) bands (ev): -19.3149 -19.3149 -19.3149 -19.3149 -6.2755 -6.2755 -6.2755 -6.2755 -4.5729 -4.5729 -4.5729 -4.5729 -4.2042 -4.2042 -4.2042 -4.2042 -0.5008 -0.5008 -0.5008 -0.5008 3.7567 3.7567 3.7567 3.7567 3.8168 3.8168 3.8168 3.8168 4.2389 4.2389 4.2389 4.2389 4.3080 4.3080 4.3080 4.3080 4.3584 4.3584 4.3584 4.3584 5.3926 5.3926 5.3926 5.3926 6.2879 6.2879 6.2879 6.2879 6.7917 6.7917 6.7917 6.7917 9.3264 9.3264 9.3264 9.3264 10.8876 10.8876 10.8876 10.8876 11.0167 11.0167 k = 0.1842 0.1064 0.2635 ( 6596 PWs) bands (ev): -19.3136 -19.3136 -19.3136 -19.3136 -6.2873 -6.2873 -6.2873 -6.2873 -4.5995 -4.5995 -4.5995 -4.5995 -4.2054 -4.2054 -4.2054 -4.2054 -0.4421 -0.4421 -0.4421 -0.4421 3.7573 3.7573 3.7573 3.7573 3.8208 3.8208 3.8208 3.8208 4.2385 4.2385 4.2385 4.2385 4.3133 4.3133 4.3133 4.3133 4.3622 4.3622 4.3622 4.3622 5.3772 5.3772 5.3772 5.3772 6.2891 6.2891 6.2891 6.2891 6.8364 6.8364 6.8364 6.8364 9.3217 9.3217 9.3217 9.3217 10.8295 10.8295 10.8295 10.8295 10.9632 10.9632 k = 0.1974 0.1140 0.2635 ( 6604 PWs) bands (ev): -19.3123 -19.3123 -19.3123 -19.3123 -6.2997 -6.2997 -6.2997 -6.2997 -4.6263 -4.6263 -4.6263 -4.6263 -4.2065 -4.2065 -4.2065 -4.2065 -0.3821 -0.3821 -0.3821 -0.3821 3.7581 3.7581 3.7581 3.7581 3.8248 3.8248 3.8248 3.8248 4.2383 4.2383 4.2383 4.2383 4.3188 4.3188 4.3188 4.3188 4.3660 4.3660 4.3660 4.3660 5.3619 5.3619 5.3619 5.3619 6.2913 6.2913 6.2913 6.2913 6.8853 6.8853 6.8853 6.8853 9.3092 9.3092 9.3092 9.3092 10.7769 10.7769 10.7769 10.7769 10.9108 10.9108 k = 0.2105 0.1215 0.2635 ( 6618 PWs) bands (ev): -19.3110 -19.3110 -19.3110 -19.3110 -6.3126 -6.3126 -6.3126 -6.3126 -4.6530 -4.6530 -4.6530 -4.6530 -4.2075 -4.2075 -4.2075 -4.2075 -0.3214 -0.3214 -0.3214 -0.3214 3.7591 3.7591 3.7591 3.7591 3.8287 3.8287 3.8287 3.8287 4.2385 4.2385 4.2385 4.2385 4.3243 4.3243 4.3243 4.3243 4.3698 4.3698 4.3698 4.3698 5.3473 5.3473 5.3473 5.3473 6.2946 6.2946 6.2946 6.2946 6.9381 6.9381 6.9381 6.9381 9.2884 9.2884 9.2884 9.2884 10.7309 10.7309 10.7309 10.7309 10.8599 10.8599 k = 0.2237 0.1291 0.2635 ( 6626 PWs) bands (ev): -19.3096 -19.3096 -19.3096 -19.3096 -6.3258 -6.3258 -6.3258 -6.3258 -4.6794 -4.6794 -4.6794 -4.6794 -4.2084 -4.2084 -4.2084 -4.2084 -0.2604 -0.2604 -0.2604 -0.2604 3.7603 3.7603 3.7603 3.7603 3.8325 3.8325 3.8325 3.8325 4.2390 4.2390 4.2390 4.2390 4.3298 4.3298 4.3298 4.3298 4.3735 4.3735 4.3735 4.3735 5.3335 5.3335 5.3335 5.3335 6.2992 6.2992 6.2992 6.2992 6.9945 6.9945 6.9945 6.9945 9.2593 9.2593 9.2593 9.2593 10.6922 10.6922 10.6922 10.6922 10.8109 10.8109 k = 0.2368 0.1367 0.2635 ( 6622 PWs) bands (ev): -19.3082 -19.3082 -19.3082 -19.3082 -6.3393 -6.3393 -6.3393 -6.3393 -4.7052 -4.7052 -4.7052 -4.7052 -4.2092 -4.2092 -4.2092 -4.2092 -0.1996 -0.1996 -0.1996 -0.1996 3.7618 3.7618 3.7618 3.7618 3.8362 3.8362 3.8362 3.8362 4.2399 4.2399 4.2399 4.2399 4.3353 4.3353 4.3353 4.3353 4.3771 4.3771 4.3771 4.3771 5.3209 5.3209 5.3209 5.3209 6.3052 6.3052 6.3052 6.3052 7.0541 7.0541 7.0541 7.0541 9.2223 9.2223 9.2223 9.2223 10.6602 10.6602 10.6603 10.6603 10.7648 10.7648 k = 0.2500 0.1443 0.2635 ( 6610 PWs) bands (ev): -19.3069 -19.3069 -19.3069 -19.3069 -6.3530 -6.3530 -6.3530 -6.3530 -4.7304 -4.7304 -4.7304 -4.7304 -4.2100 -4.2100 -4.2100 -4.2100 -0.1393 -0.1393 -0.1393 -0.1393 3.7635 3.7635 3.7635 3.7635 3.8397 3.8397 3.8397 3.8397 4.2413 4.2413 4.2413 4.2413 4.3408 4.3408 4.3408 4.3408 4.3805 4.3805 4.3805 4.3805 5.3097 5.3097 5.3097 5.3097 6.3127 6.3127 6.3127 6.3127 7.1167 7.1167 7.1167 7.1167 9.1782 9.1782 9.1782 9.1782 10.6332 10.6332 10.6332 10.6332 10.7234 10.7234 k = 0.2632 0.1519 0.2635 ( 6628 PWs) bands (ev): -19.3055 -19.3055 -19.3055 -19.3055 -6.3668 -6.3668 -6.3668 -6.3668 -4.7548 -4.7548 -4.7548 -4.7548 -4.2107 -4.2107 -4.2107 -4.2107 -0.0800 -0.0800 -0.0800 -0.0800 3.7655 3.7655 3.7655 3.7655 3.8429 3.8429 3.8429 3.8429 4.2430 4.2430 4.2430 4.2430 4.3461 4.3461 4.3461 4.3461 4.3836 4.3836 4.3836 4.3836 5.3002 5.3002 5.3002 5.3002 6.3216 6.3216 6.3216 6.3216 7.1819 7.1819 7.1819 7.1819 9.1284 9.1284 9.1284 9.1284 10.6070 10.6070 10.6070 10.6070 10.6902 10.6902 k = 0.2763 0.1595 0.2635 ( 6636 PWs) bands (ev): -19.3041 -19.3041 -19.3041 -19.3041 -6.3807 -6.3807 -6.3807 -6.3807 -4.7783 -4.7783 -4.7783 -4.7783 -4.2112 -4.2112 -4.2112 -4.2112 -0.0221 -0.0221 -0.0221 -0.0221 3.7677 3.7677 3.7677 3.7677 3.8459 3.8459 3.8459 3.8459 4.2451 4.2451 4.2451 4.2451 4.3512 4.3512 4.3512 4.3512 4.3865 4.3865 4.3865 4.3865 5.2925 5.2925 5.2925 5.2925 6.3318 6.3318 6.3318 6.3318 7.2494 7.2494 7.2494 7.2494 9.0740 9.0740 9.0740 9.0740 10.5770 10.5770 10.5770 10.5770 10.6691 10.6691 k = 0.2895 0.1671 0.2635 ( 6632 PWs) bands (ev): -19.3027 -19.3027 -19.3027 -19.3027 -6.3944 -6.3944 -6.3944 -6.3944 -4.8007 -4.8007 -4.8007 -4.8007 -4.2118 -4.2118 -4.2118 -4.2118 0.0342 0.0342 0.0342 0.0342 3.7702 3.7702 3.7702 3.7702 3.8487 3.8487 3.8487 3.8487 4.2476 4.2476 4.2476 4.2476 4.3561 4.3561 4.3561 4.3561 4.3891 4.3891 4.3891 4.3891 5.2869 5.2869 5.2869 5.2869 6.3432 6.3432 6.3432 6.3432 7.3187 7.3187 7.3187 7.3187 9.0167 9.0167 9.0167 9.0167 10.5421 10.5421 10.5421 10.5421 10.6601 10.6601 k = 0.3026 0.1747 0.2635 ( 6622 PWs) bands (ev): -19.3014 -19.3014 -19.3014 -19.3014 -6.4079 -6.4079 -6.4079 -6.4079 -4.8221 -4.8221 -4.8221 -4.8221 -4.2122 -4.2122 -4.2122 -4.2122 0.0884 0.0884 0.0884 0.0884 3.7729 3.7729 3.7729 3.7729 3.8511 3.8511 3.8511 3.8511 4.2503 4.2503 4.2503 4.2503 4.3608 4.3608 4.3608 4.3608 4.3915 4.3915 4.3915 4.3915 5.2833 5.2833 5.2833 5.2833 6.3557 6.3557 6.3557 6.3557 7.3894 7.3894 7.3894 7.3894 8.9577 8.9577 8.9577 8.9577 10.5050 10.5050 10.5050 10.5050 10.6596 10.6596 k = 0.3158 0.1823 0.2635 ( 6616 PWs) bands (ev): -19.3001 -19.3001 -19.3001 -19.3001 -6.4212 -6.4212 -6.4212 -6.4212 -4.8422 -4.8422 -4.8422 -4.8422 -4.2126 -4.2126 -4.2126 -4.2126 0.1403 0.1403 0.1403 0.1403 3.7759 3.7759 3.7759 3.7759 3.8533 3.8533 3.8533 3.8533 4.2533 4.2533 4.2533 4.2533 4.3651 4.3651 4.3651 4.3651 4.3936 4.3936 4.3936 4.3936 5.2820 5.2820 5.2820 5.2820 6.3691 6.3691 6.3691 6.3691 7.4610 7.4610 7.4610 7.4610 8.8984 8.8984 8.8984 8.8984 10.4677 10.4677 10.4677 10.4677 10.6644 10.6644 k = 0.3289 0.1899 0.2635 ( 6616 PWs) bands (ev): -19.2988 -19.2988 -19.2988 -19.2988 -6.4340 -6.4340 -6.4340 -6.4340 -4.8611 -4.8611 -4.8611 -4.8611 -4.2129 -4.2129 -4.2129 -4.2129 0.1896 0.1896 0.1896 0.1896 3.7789 3.7789 3.7789 3.7789 3.8551 3.8551 3.8551 3.8551 4.2565 4.2565 4.2565 4.2565 4.3691 4.3691 4.3691 4.3691 4.3955 4.3955 4.3955 4.3955 5.2827 5.2827 5.2827 5.2827 6.3831 6.3831 6.3831 6.3831 7.5330 7.5330 7.5330 7.5330 8.8401 8.8401 8.8401 8.8401 10.4312 10.4312 10.4312 10.4312 10.6724 10.6724 k = 0.3421 0.1975 0.2635 ( 6616 PWs) bands (ev): -19.2976 -19.2976 -19.2976 -19.2976 -6.4463 -6.4463 -6.4463 -6.4463 -4.8787 -4.8787 -4.8787 -4.8787 -4.2132 -4.2132 -4.2132 -4.2132 0.2360 0.2360 0.2360 0.2360 3.7821 3.7821 3.7821 3.7821 3.8566 3.8566 3.8566 3.8566 4.2598 4.2598 4.2598 4.2598 4.3727 4.3727 4.3727 4.3727 4.3972 4.3972 4.3972 4.3972 5.2855 5.2855 5.2855 5.2855 6.3974 6.3974 6.3974 6.3974 7.6047 7.6047 7.6047 7.6047 8.7837 8.7837 8.7837 8.7837 10.3961 10.3961 10.3961 10.3961 10.6818 10.6818 k = 0.3553 0.2051 0.2635 ( 6632 PWs) bands (ev): -19.2965 -19.2965 -19.2965 -19.2965 -6.4581 -6.4581 -6.4581 -6.4581 -4.8950 -4.8950 -4.8950 -4.8950 -4.2135 -4.2135 -4.2135 -4.2135 0.2793 0.2793 0.2793 0.2793 3.7854 3.7854 3.7854 3.7854 3.8578 3.8578 3.8578 3.8578 4.2630 4.2630 4.2630 4.2630 4.3757 4.3757 4.3757 4.3757 4.3988 4.3988 4.3988 4.3988 5.2902 5.2902 5.2902 5.2902 6.4117 6.4117 6.4117 6.4117 7.6755 7.6755 7.6755 7.6755 8.7303 8.7303 8.7303 8.7303 10.3628 10.3628 10.3628 10.3628 10.6910 10.6910 k = 0.3684 0.2127 0.2635 ( 6624 PWs) bands (ev): -19.2954 -19.2954 -19.2954 -19.2954 -6.4691 -6.4691 -6.4691 -6.4691 -4.9099 -4.9099 -4.9099 -4.9099 -4.2137 -4.2137 -4.2137 -4.2137 0.3194 0.3194 0.3194 0.3194 3.7886 3.7886 3.7886 3.7886 3.8587 3.8587 3.8587 3.8587 4.2663 4.2663 4.2663 4.2663 4.3784 4.3784 4.3784 4.3784 4.4004 4.4004 4.4004 4.4004 5.2964 5.2964 5.2964 5.2964 6.4259 6.4259 6.4259 6.4259 7.7447 7.7447 7.7447 7.7447 8.6806 8.6806 8.6806 8.6806 10.3315 10.3315 10.3315 10.3315 10.6984 10.6984 k = 0.3816 0.2203 0.2635 ( 6624 PWs) bands (ev): -19.2944 -19.2944 -19.2944 -19.2944 -6.4794 -6.4794 -6.4794 -6.4794 -4.9234 -4.9234 -4.9234 -4.9234 -4.2138 -4.2138 -4.2138 -4.2138 0.3560 0.3560 0.3560 0.3560 3.7918 3.7918 3.7918 3.7918 3.8595 3.8595 3.8595 3.8595 4.2694 4.2694 4.2694 4.2694 4.3805 4.3805 4.3805 4.3805 4.4020 4.4020 4.4020 4.4020 5.3039 5.3039 5.3039 5.3039 6.4394 6.4394 6.4394 6.4394 7.8113 7.8113 7.8113 7.8113 8.6353 8.6353 8.6353 8.6353 10.3023 10.3023 10.3023 10.3023 10.7024 10.7024 k = 0.3947 0.2279 0.2635 ( 6628 PWs) bands (ev): -19.2935 -19.2935 -19.2935 -19.2935 -6.4888 -6.4888 -6.4888 -6.4888 -4.9355 -4.9355 -4.9355 -4.9355 -4.2139 -4.2139 -4.2139 -4.2139 0.3891 0.3891 0.3891 0.3891 3.7948 3.7948 3.7948 3.7948 3.8600 3.8600 3.8600 3.8600 4.2723 4.2723 4.2723 4.2723 4.3822 4.3822 4.3822 4.3822 4.4035 4.4035 4.4035 4.4035 5.3124 5.3124 5.3124 5.3124 6.4521 6.4521 6.4521 6.4521 7.8746 7.8746 7.8746 7.8746 8.5949 8.5949 8.5949 8.5949 10.2754 10.2754 10.2754 10.2754 10.7012 10.7012 k = 0.4079 0.2355 0.2635 ( 6622 PWs) bands (ev): -19.2927 -19.2927 -19.2927 -19.2927 -6.4973 -6.4973 -6.4973 -6.4973 -4.9463 -4.9463 -4.9463 -4.9463 -4.2140 -4.2140 -4.2140 -4.2140 0.4184 0.4184 0.4184 0.4184 3.7977 3.7977 3.7977 3.7977 3.8603 3.8603 3.8603 3.8603 4.2750 4.2750 4.2750 4.2750 4.3836 4.3836 4.3836 4.3836 4.4050 4.4050 4.4050 4.4050 5.3214 5.3214 5.3214 5.3214 6.4638 6.4638 6.4638 6.4638 7.9334 7.9334 7.9334 7.9334 8.5598 8.5598 8.5598 8.5598 10.2509 10.2509 10.2509 10.2509 10.6932 10.6932 k = 0.4211 0.2431 0.2635 ( 6618 PWs) bands (ev): -19.2920 -19.2920 -19.2920 -19.2920 -6.5048 -6.5048 -6.5048 -6.5048 -4.9556 -4.9556 -4.9556 -4.9556 -4.2141 -4.2141 -4.2141 -4.2141 0.4441 0.4441 0.4441 0.4441 3.8002 3.8002 3.8002 3.8002 3.8606 3.8606 3.8606 3.8606 4.2774 4.2774 4.2774 4.2774 4.3846 4.3846 4.3846 4.3846 4.4064 4.4064 4.4064 4.4064 5.3304 5.3304 5.3304 5.3304 6.4741 6.4741 6.4741 6.4741 7.9868 7.9868 7.9868 7.9868 8.5301 8.5301 8.5301 8.5301 10.2291 10.2291 10.2291 10.2291 10.6780 10.6780 k = 0.4342 0.2507 0.2635 ( 6610 PWs) bands (ev): -19.2913 -19.2913 -19.2913 -19.2913 -6.5113 -6.5113 -6.5113 -6.5113 -4.9635 -4.9635 -4.9635 -4.9635 -4.2142 -4.2142 -4.2142 -4.2142 0.4658 0.4658 0.4658 0.4658 3.8025 3.8025 3.8025 3.8025 3.8607 3.8607 3.8607 3.8607 4.2795 4.2795 4.2795 4.2795 4.3854 4.3854 4.3854 4.3854 4.4077 4.4077 4.4077 4.4077 5.3391 5.3391 5.3391 5.3391 6.4829 6.4829 6.4829 6.4829 8.0338 8.0338 8.0338 8.0338 8.5060 8.5060 8.5060 8.5060 10.2102 10.2102 10.2102 10.2102 10.6567 10.6567 k = 0.4474 0.2583 0.2635 ( 6618 PWs) bands (ev): -19.2908 -19.2908 -19.2908 -19.2908 -6.5166 -6.5166 -6.5166 -6.5166 -4.9699 -4.9699 -4.9699 -4.9699 -4.2142 -4.2142 -4.2142 -4.2142 0.4837 0.4837 0.4837 0.4837 3.8044 3.8044 3.8044 3.8044 3.8608 3.8608 3.8608 3.8608 4.2812 4.2812 4.2812 4.2812 4.3860 4.3860 4.3860 4.3860 4.4088 4.4088 4.4088 4.4088 5.3469 5.3469 5.3469 5.3469 6.4902 6.4902 6.4902 6.4902 8.0733 8.0733 8.0733 8.0733 8.4873 8.4873 8.4873 8.4873 10.1943 10.1943 10.1943 10.1943 10.6321 10.6321 k = 0.4605 0.2659 0.2635 ( 6612 PWs) bands (ev): -19.2904 -19.2904 -19.2904 -19.2904 -6.5208 -6.5208 -6.5208 -6.5208 -4.9749 -4.9749 -4.9749 -4.9749 -4.2142 -4.2142 -4.2142 -4.2142 0.4976 0.4976 0.4976 0.4976 3.8059 3.8059 3.8059 3.8059 3.8608 3.8608 3.8608 3.8608 4.2825 4.2825 4.2825 4.2825 4.3865 4.3865 4.3865 4.3865 4.4097 4.4097 4.4097 4.4097 5.3535 5.3535 5.3535 5.3535 6.4959 6.4959 6.4959 6.4959 8.1047 8.1047 8.1047 8.1047 8.4736 8.4736 8.4736 8.4736 10.1817 10.1817 10.1817 10.1817 10.6080 10.6080 k = 0.4737 0.2735 0.2635 ( 6606 PWs) bands (ev): -19.2901 -19.2901 -19.2901 -19.2901 -6.5239 -6.5239 -6.5239 -6.5239 -4.9785 -4.9785 -4.9785 -4.9785 -4.2142 -4.2142 -4.2142 -4.2142 0.5076 0.5076 0.5076 0.5076 3.8070 3.8070 3.8070 3.8070 3.8608 3.8608 3.8608 3.8608 4.2835 4.2835 4.2835 4.2835 4.3868 4.3868 4.3868 4.3868 4.4103 4.4103 4.4103 4.4103 5.3585 5.3585 5.3585 5.3585 6.4999 6.4999 6.4999 6.4999 8.1273 8.1273 8.1273 8.1273 8.4645 8.4645 8.4645 8.4645 10.1725 10.1725 10.1725 10.1725 10.5879 10.5879 k = 0.4868 0.2811 0.2635 ( 6608 PWs) bands (ev): -19.2900 -19.2900 -19.2900 -19.2900 -6.5257 -6.5257 -6.5257 -6.5257 -4.9807 -4.9807 -4.9807 -4.9807 -4.2142 -4.2142 -4.2142 -4.2142 0.5136 0.5136 0.5136 0.5136 3.8077 3.8077 3.8077 3.8077 3.8608 3.8608 3.8608 3.8608 4.2840 4.2840 4.2840 4.2840 4.3870 4.3870 4.3870 4.3870 4.4107 4.4107 4.4107 4.4107 5.3616 5.3616 5.3616 5.3616 6.5023 6.5023 6.5023 6.5023 8.1409 8.1409 8.1409 8.1409 8.4593 8.4593 8.4593 8.4593 10.1669 10.1669 10.1669 10.1669 10.5748 10.5748 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.2899 -19.2899 -19.2899 -19.2899 -6.5263 -6.5263 -6.5263 -6.5263 -4.9814 -4.9814 -4.9814 -4.9814 -4.2142 -4.2142 -4.2142 -4.2142 0.5156 0.5156 0.5156 0.5156 3.8079 3.8079 3.8079 3.8079 3.8608 3.8608 3.8608 3.8608 4.2843 4.2843 4.2843 4.2843 4.3871 4.3871 4.3871 4.3871 4.4109 4.4109 4.4109 4.4109 5.3627 5.3627 5.3627 5.3627 6.5031 6.5031 6.5031 6.5031 8.1455 8.1455 8.1455 8.1455 8.4577 8.4577 8.4577 8.4577 10.1650 10.1650 10.1650 10.1650 10.5702 10.5702 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.2899 -19.2899 -19.2899 -19.2899 -6.5263 -6.5263 -6.5263 -6.5263 -4.9814 -4.9814 -4.9814 -4.9814 -4.2142 -4.2142 -4.2142 -4.2142 0.5156 0.5156 0.5156 0.5156 3.8079 3.8079 3.8079 3.8079 3.8608 3.8608 3.8608 3.8608 4.2843 4.2843 4.2843 4.2843 4.3871 4.3871 4.3871 4.3871 4.4109 4.4109 4.4109 4.4109 5.3627 5.3627 5.3627 5.3627 6.5031 6.5031 6.5031 6.5031 8.1455 8.1455 8.1455 8.1455 8.4577 8.4577 8.4577 8.4577 10.1650 10.1650 10.1650 10.1650 10.5702 10.5702 k = 0.4924 0.3018 0.2635 ( 6608 PWs) bands (ev): -19.2899 -19.2899 -19.2899 -19.2899 -6.5375 -6.5375 -6.5150 -6.5150 -5.0040 -5.0040 -4.9595 -4.9595 -4.2194 -4.2194 -4.2098 -4.2098 0.5028 0.5028 0.5314 0.5314 3.8045 3.8045 3.8108 3.8108 3.8574 3.8574 3.8646 3.8646 4.2822 4.2822 4.2855 4.2855 4.3845 4.3845 4.3894 4.3894 4.4095 4.4095 4.4133 4.4133 5.3605 5.3605 5.3666 5.3666 6.5013 6.5013 6.5070 6.5070 8.0819 8.0819 8.1774 8.1774 8.4261 8.4261 8.5146 8.5146 10.1565 10.1565 10.1750 10.1750 10.5615 10.5615 k = 0.4848 0.3149 0.2635 ( 6620 PWs) bands (ev): -19.2899 -19.2899 -19.2898 -19.2898 -6.5485 -6.5485 -6.5036 -6.5036 -5.0272 -5.0272 -4.9384 -4.9384 -4.2252 -4.2252 -4.2061 -4.2061 0.4932 0.4932 0.5501 0.5501 3.8009 3.8009 3.8127 3.8127 3.8549 3.8549 3.8685 3.8685 4.2792 4.2792 4.2861 4.2861 4.3821 4.3821 4.3915 4.3915 4.4096 4.4096 4.4166 4.4166 5.3600 5.3600 5.3722 5.3722 6.5013 6.5013 6.5127 6.5127 8.0048 8.0048 8.1568 8.1568 8.4408 8.4408 8.5784 8.5784 10.1497 10.1497 10.1858 10.1858 10.5424 10.5424 k = 0.4773 0.3280 0.2635 ( 6626 PWs) bands (ev): -19.2898 -19.2898 -19.2896 -19.2896 -6.5594 -6.5594 -6.4922 -6.4922 -5.0510 -5.0510 -4.9182 -4.9182 -4.2318 -4.2318 -4.2030 -4.2030 0.4866 0.4866 0.5715 0.5715 3.7973 3.7973 3.8130 3.8130 3.8539 3.8539 3.8724 3.8724 4.2752 4.2752 4.2862 4.2862 4.3798 4.3798 4.3934 4.3934 4.4112 4.4112 4.4205 4.4205 5.3612 5.3612 5.3795 5.3795 6.5033 6.5033 6.5202 6.5202 7.9212 7.9212 8.0977 8.0977 8.4882 8.4882 8.6419 8.6419 10.1444 10.1444 10.1966 10.1966 10.5137 10.5137 k = 0.4697 0.3412 0.2635 ( 6622 PWs) bands (ev): -19.2897 -19.2897 -19.2895 -19.2895 -6.5700 -6.5700 -6.4808 -6.4808 -5.0752 -5.0752 -4.8988 -4.8988 -4.2391 -4.2391 -4.2006 -4.2006 0.4830 0.4830 0.5956 0.5956 3.7938 3.7938 3.8113 3.8113 3.8549 3.8549 3.8761 3.8761 4.2703 4.2703 4.2859 4.2859 4.3777 4.3777 4.3951 4.3951 4.4143 4.4143 4.4247 4.4247 5.3642 5.3642 5.3888 5.3888 6.5070 6.5070 6.5292 6.5292 7.8343 7.8343 8.0224 8.0224 8.5462 8.5462 8.7018 8.7018 10.1404 10.1404 10.2058 10.2058 10.4776 10.4776 k = 0.4621 0.3543 0.2635 ( 6630 PWs) bands (ev): -19.2896 -19.2896 -19.2893 -19.2893 -6.5804 -6.5804 -6.4695 -6.4695 -5.0997 -5.0997 -4.8804 -4.8804 -4.2470 -4.2470 -4.1986 -4.1986 0.4822 0.4822 0.6218 0.6218 3.7902 3.7902 3.8076 3.8076 3.8578 3.8578 3.8795 3.8795 4.2644 4.2644 4.2854 4.2854 4.3760 4.3760 4.3970 4.3970 4.4185 4.4185 4.4290 4.4290 5.3691 5.3691 5.4000 5.4000 6.5122 6.5122 6.5395 6.5395 7.7455 7.7455 7.9408 7.9408 8.6054 8.6054 8.7563 8.7563 10.1371 10.1371 10.2103 10.2103 10.4386 10.4386 k = 0.4545 0.3674 0.2635 ( 6618 PWs) bands (ev): -19.2895 -19.2895 -19.2890 -19.2890 -6.5905 -6.5905 -6.4583 -6.4583 -5.1244 -5.1244 -4.8629 -4.8629 -4.2555 -4.2555 -4.1972 -4.1972 0.4842 0.4842 0.6501 0.6501 3.7868 3.7868 3.8026 3.8026 3.8621 3.8621 3.8828 3.8828 4.2578 4.2578 4.2847 4.2847 4.3745 4.3745 4.3992 4.3992 4.4236 4.4236 4.4334 4.4334 5.3760 5.3760 5.4133 5.4133 6.5186 6.5186 6.5507 6.5507 7.6562 7.6562 7.8569 7.8569 8.6620 8.6620 8.8044 8.8044 10.1335 10.1335 10.2043 10.2043 10.4044 10.4044 k = 0.4470 0.3805 0.2635 ( 6626 PWs) bands (ev): -19.2893 -19.2893 -19.2888 -19.2888 -6.6003 -6.6003 -6.4474 -6.4474 -5.1491 -5.1491 -4.8465 -4.8465 -4.2644 -4.2644 -4.1962 -4.1962 0.4886 0.4886 0.6799 0.6799 3.7835 3.7835 3.7965 3.7965 3.8673 3.8673 3.8857 3.8857 4.2506 4.2506 4.2839 4.2839 4.3734 4.3734 4.4016 4.4016 4.4295 4.4295 4.4378 4.4378 5.3851 5.3851 5.4288 5.4288 6.5257 6.5257 6.5622 6.5622 7.5673 7.5673 7.7729 7.7729 8.7141 8.7141 8.8449 8.8449 10.1281 10.1281 10.1811 10.1811 10.3842 10.3842 k = 0.4394 0.3936 0.2635 ( 6622 PWs) bands (ev): -19.2890 -19.2890 -19.2885 -19.2885 -6.6097 -6.6097 -6.4366 -6.4366 -5.1735 -5.1735 -4.8310 -4.8310 -4.2738 -4.2738 -4.1955 -4.1955 0.4951 0.4951 0.7109 0.7109 3.7802 3.7802 3.7898 3.7898 3.8731 3.8731 3.8884 3.8884 4.2430 4.2430 4.2831 4.2831 4.3725 4.3725 4.4043 4.4043 4.4361 4.4361 4.4421 4.4421 5.3965 5.3965 5.4467 5.4467 6.5328 6.5328 6.5732 6.5732 7.4801 7.4801 7.6904 7.6904 8.7605 8.7605 8.8773 8.8773 10.1197 10.1197 10.1407 10.1407 10.3806 10.3806 k = 0.4318 0.4068 0.2635 ( 6618 PWs) bands (ev): -19.2888 -19.2888 -19.2882 -19.2882 -6.6188 -6.6188 -6.4262 -6.4262 -5.1976 -5.1976 -4.8166 -4.8166 -4.2833 -4.2833 -4.1952 -4.1952 0.5036 0.5036 0.7427 0.7427 3.7770 3.7770 3.7828 3.7828 3.8793 3.8793 3.8909 3.8909 4.2351 4.2351 4.2822 4.2822 4.3719 4.3719 4.4070 4.4070 4.4433 4.4433 4.4463 4.4463 5.4104 5.4104 5.4671 5.4671 6.5391 6.5391 6.5829 6.5829 7.3956 7.3956 7.6110 7.6110 8.8002 8.8002 8.9008 8.9008 10.0902 10.0902 10.1075 10.1075 10.3777 10.3777 k = 0.4242 0.4199 0.2635 ( 6602 PWs) bands (ev): -19.2885 -19.2885 -19.2879 -19.2879 -6.6274 -6.6274 -6.4163 -6.4163 -5.2211 -5.2211 -4.8032 -4.8032 -4.2930 -4.2930 -4.1951 -4.1951 0.5136 0.5136 0.7747 0.7747 3.7738 3.7738 3.7756 3.7756 3.8857 3.8857 3.8931 3.8931 4.2273 4.2273 4.2815 4.2815 4.3716 4.3716 4.4098 4.4098 4.4503 4.4503 4.4509 4.4509 5.4271 5.4271 5.4902 5.4902 6.5432 6.5432 6.5901 6.5901 7.3154 7.3154 7.5363 7.5363 8.8323 8.8323 8.9153 8.9153 10.0371 10.0371 10.0921 10.0921 10.3706 10.3706 k = 0.4167 0.4330 0.2635 ( 6608 PWs) bands (ev): -19.2883 -19.2883 -19.2876 -19.2876 -6.6355 -6.6355 -6.4068 -6.4068 -5.2438 -5.2438 -4.7909 -4.7909 -4.3027 -4.3027 -4.1951 -4.1951 0.5247 0.5247 0.8066 0.8066 3.7684 3.7684 3.7707 3.7707 3.8920 3.8920 3.8950 3.8950 4.2195 4.2195 4.2808 4.2808 4.3714 4.3714 4.4125 4.4125 4.4541 4.4541 4.4588 4.4588 5.4468 5.4468 5.5161 5.5161 6.5435 6.5435 6.5933 6.5933 7.2414 7.2414 7.4679 7.4679 8.8560 8.8560 8.9208 8.9208 9.9862 9.9862 10.0755 10.0755 10.3718 10.3718 k = 0.4091 0.4461 0.2635 ( 6600 PWs) bands (ev): -19.2880 -19.2880 -19.2873 -19.2873 -6.6432 -6.6432 -6.3978 -6.3978 -5.2654 -5.2654 -4.7797 -4.7797 -4.3121 -4.3121 -4.1953 -4.1953 0.5367 0.5367 0.8377 0.8377 3.7613 3.7613 3.7677 3.7677 3.8968 3.8968 3.8982 3.8982 4.2121 4.2121 4.2803 4.2803 4.3714 4.3714 4.4151 4.4151 4.4576 4.4576 4.4669 4.4669 5.4695 5.4695 5.5449 5.5449 6.5381 6.5381 6.5909 6.5909 7.1756 7.1756 7.4077 7.4077 8.8707 8.8707 8.9178 8.9178 9.9406 9.9406 10.0600 10.0600 10.3792 10.3792 k = 0.4015 0.4593 0.2635 ( 6596 PWs) bands (ev): -19.2877 -19.2877 -19.2869 -19.2869 -6.6503 -6.6503 -6.3895 -6.3895 -5.2858 -5.2858 -4.7697 -4.7697 -4.3212 -4.3212 -4.1956 -4.1956 0.5491 0.5491 0.8678 0.8678 3.7545 3.7545 3.7647 3.7647 3.8984 3.8984 3.9042 3.9042 4.2051 4.2051 4.2798 4.2798 4.3716 4.3716 4.4175 4.4175 4.4610 4.4610 4.4750 4.4750 5.4954 5.4954 5.5765 5.5765 6.5247 6.5247 6.5813 6.5813 7.1203 7.1203 7.3573 7.3573 8.8763 8.8763 8.9073 8.9073 9.9023 9.9023 10.0471 10.0471 10.3909 10.3909 k = 0.3939 0.4724 0.2635 ( 6594 PWs) bands (ev): -19.2875 -19.2875 -19.2866 -19.2866 -6.6569 -6.6569 -6.3820 -6.3820 -5.3048 -5.3048 -4.7608 -4.7608 -4.3297 -4.3297 -4.1959 -4.1959 0.5615 0.5615 0.8962 0.8962 3.7481 3.7481 3.7619 3.7619 3.8997 3.8997 3.9099 3.9099 4.1987 4.1987 4.2795 4.2795 4.3718 4.3718 4.4198 4.4198 4.4640 4.4640 4.4828 4.4828 5.5246 5.5246 5.6109 5.6109 6.5015 6.5015 6.5632 6.5632 7.0774 7.0774 7.3179 7.3179 8.8732 8.8732 8.8906 8.8906 9.8721 9.8721 10.0377 10.0377 10.4054 10.4054 k = 0.3864 0.4855 0.2635 ( 6594 PWs) bands (ev): -19.2872 -19.2872 -19.2863 -19.2863 -6.6628 -6.6628 -6.3752 -6.3752 -5.3221 -5.3221 -4.7530 -4.7530 -4.3376 -4.3376 -4.1962 -4.1962 0.5736 0.5736 0.9225 0.9225 3.7422 3.7422 3.7592 3.7592 3.9009 3.9009 3.9151 3.9151 4.1929 4.1929 4.2792 4.2792 4.3721 4.3721 4.4218 4.4218 4.4667 4.4667 4.4902 4.4902 5.5570 5.5570 5.6479 5.6479 6.4681 6.4681 6.5364 6.5364 7.0474 7.0474 7.2898 7.2898 8.8626 8.8626 8.8695 8.8695 9.8500 9.8500 10.0319 10.0319 10.4211 10.4211 k = 0.3788 0.4986 0.2635 ( 6598 PWs) bands (ev): -19.2869 -19.2869 -19.2861 -19.2861 -6.6681 -6.6681 -6.3694 -6.3694 -5.3375 -5.3375 -4.7465 -4.7465 -4.3446 -4.3446 -4.1966 -4.1966 0.5850 0.5850 0.9463 0.9463 3.7368 3.7368 3.7568 3.7568 3.9019 3.9019 3.9197 3.9197 4.1878 4.1878 4.2791 4.2791 4.3724 4.3724 4.4236 4.4236 4.4691 4.4691 4.4970 4.4970 5.5922 5.5922 5.6870 5.6870 6.4258 6.4258 6.5017 6.5017 7.0290 7.0290 7.2723 7.2723 8.8460 8.8460 8.8463 8.8463 9.8352 9.8352 10.0292 10.0292 10.4370 10.4370 k = 0.3712 0.5117 0.2635 ( 6592 PWs) bands (ev): -19.2867 -19.2867 -19.2858 -19.2858 -6.6727 -6.6727 -6.3644 -6.3644 -5.3508 -5.3508 -4.7411 -4.7411 -4.3507 -4.3507 -4.1969 -4.1969 0.5954 0.5954 0.9672 0.9672 3.7322 3.7322 3.7547 3.7547 3.9028 3.9028 3.9238 3.9238 4.1835 4.1835 4.2791 4.2791 4.3728 4.3728 4.4252 4.4252 4.4712 4.4712 4.5030 4.5030 5.6297 5.6297 5.7276 5.7276 6.3773 6.3773 6.4611 6.4611 7.0199 7.0199 7.2634 7.2634 8.8218 8.8218 8.8267 8.8267 9.8264 9.8264 10.0290 10.0290 10.4521 10.4521 k = 0.3636 0.5249 0.2635 ( 6604 PWs) bands (ev): -19.2865 -19.2865 -19.2856 -19.2856 -6.6766 -6.6766 -6.3603 -6.3603 -5.3619 -5.3619 -4.7369 -4.7369 -4.3557 -4.3557 -4.1972 -4.1972 0.6045 0.6045 0.9849 0.9849 3.7283 3.7283 3.7528 3.7528 3.9034 3.9034 3.9273 3.9273 4.1799 4.1799 4.2791 4.2791 4.3731 4.3731 4.4266 4.4266 4.4729 4.4729 4.5080 4.5080 5.6684 5.6684 5.7683 5.7683 6.3263 6.3263 6.4176 6.4176 7.0172 7.0172 7.2608 7.2608 8.7990 8.7990 8.8062 8.8062 9.8220 9.8220 10.0303 10.0303 10.4655 10.4655 k = 0.3561 0.5380 0.2635 ( 6608 PWs) bands (ev): -19.2864 -19.2864 -19.2854 -19.2854 -6.6796 -6.6796 -6.3573 -6.3573 -5.3707 -5.3707 -4.7337 -4.7337 -4.3597 -4.3597 -4.1974 -4.1974 0.6119 0.6119 0.9990 0.9990 3.7252 3.7252 3.7514 3.7514 3.9040 3.9040 3.9300 3.9300 4.1771 4.1771 4.2791 4.2791 4.3734 4.3734 4.4277 4.4277 4.4742 4.4742 4.5120 4.5120 5.7062 5.7062 5.8073 5.8073 6.2769 6.2769 6.3747 6.3747 7.0181 7.0181 7.2621 7.2621 8.7793 8.7793 8.7872 8.7872 9.8204 9.8204 10.0323 10.0323 10.4767 10.4767 k = 0.3485 0.5511 0.2635 ( 6608 PWs) bands (ev): -19.2862 -19.2862 -19.2853 -19.2853 -6.6819 -6.6819 -6.3551 -6.3551 -5.3771 -5.3771 -4.7316 -4.7316 -4.3624 -4.3624 -4.1975 -4.1975 0.6175 0.6175 1.0093 1.0093 3.7229 3.7229 3.7503 3.7503 3.9044 3.9044 3.9319 3.9319 4.1751 4.1751 4.2792 4.2792 4.3736 4.3736 4.4285 4.4285 4.4751 4.4751 4.5150 4.5150 5.7398 5.7398 5.8412 5.8412 6.2340 6.2340 6.3371 6.3371 7.0204 7.0204 7.2649 7.2649 8.7640 8.7640 8.7719 8.7719 9.8203 9.8203 10.0344 10.0344 10.4851 10.4851 k = 0.3409 0.5642 0.2635 ( 6608 PWs) bands (ev): -19.2862 -19.2862 -19.2852 -19.2852 -6.6833 -6.6833 -6.3539 -6.3539 -5.3809 -5.3809 -4.7304 -4.7304 -4.3641 -4.3641 -4.1976 -4.1976 0.6210 0.6210 1.0156 1.0156 3.7216 3.7216 3.7497 3.7497 3.9046 3.9046 3.9331 3.9331 4.1739 4.1739 4.2793 4.2793 4.3738 4.3738 4.4290 4.4290 4.4757 4.4757 4.5167 4.5167 5.7642 5.7642 5.8652 5.8652 6.2037 6.2037 6.3105 6.3105 7.0226 7.0226 7.2675 7.2675 8.7544 8.7544 8.7620 8.7620 9.8207 9.8207 10.0358 10.0358 10.4902 10.4902 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3646 -4.3646 -4.1977 -4.1977 0.6221 0.6221 1.0177 1.0177 3.7212 3.7212 3.7495 3.7495 3.9047 3.9047 3.9335 3.9335 4.1735 4.1735 4.2793 4.2793 4.3739 4.3739 4.4292 4.4292 4.4759 4.4759 4.5173 4.5173 5.7734 5.7734 5.8741 5.8741 6.1925 6.1925 6.3007 6.3007 7.0235 7.0235 7.2685 7.2685 8.7511 8.7511 8.7586 8.7586 9.8209 9.8209 10.0364 10.0364 10.4919 10.4919 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3646 -4.3646 -4.1977 -4.1977 0.6221 0.6221 1.0177 1.0177 3.7212 3.7212 3.7495 3.7495 3.9047 3.9047 3.9335 3.9335 4.1735 4.1735 4.2793 4.2793 4.3739 4.3739 4.4292 4.4292 4.4759 4.4759 4.5173 4.5173 5.7734 5.7734 5.8741 5.8741 6.1925 6.1925 6.3007 6.3007 7.0235 7.0235 7.2685 7.2685 8.7511 8.7511 8.7586 8.7586 9.8209 9.8209 10.0364 10.0364 10.4919 10.4919 k = 0.3258 0.5642 0.2635 ( 6612 PWs) bands (ev): -19.2862 -19.2862 -19.2852 -19.2852 -6.6832 -6.6832 -6.3539 -6.3539 -5.3809 -5.3809 -4.7304 -4.7304 -4.3641 -4.3641 -4.1976 -4.1976 0.6209 0.6209 1.0156 1.0156 3.7216 3.7216 3.7497 3.7497 3.9046 3.9046 3.9331 3.9331 4.1739 4.1739 4.2792 4.2792 4.3738 4.3738 4.4290 4.4290 4.4757 4.4757 4.5167 4.5167 5.7641 5.7641 5.8651 5.8651 6.2038 6.2038 6.3106 6.3106 7.0225 7.0225 7.2674 7.2674 8.7544 8.7544 8.7620 8.7620 9.8207 9.8207 10.0359 10.0359 10.4902 10.4902 k = 0.3182 0.5511 0.2635 ( 6596 PWs) bands (ev): -19.2863 -19.2863 -19.2853 -19.2853 -6.6818 -6.6818 -6.3549 -6.3549 -5.3771 -5.3771 -4.7312 -4.7312 -4.3626 -4.3626 -4.1975 -4.1975 0.6171 0.6171 1.0091 1.0091 3.7229 3.7229 3.7503 3.7503 3.9044 3.9044 3.9320 3.9320 4.1751 4.1751 4.2792 4.2792 4.3736 4.3736 4.4284 4.4284 4.4752 4.4752 4.5150 4.5150 5.7387 5.7387 5.8402 5.8402 6.2348 6.2348 6.3378 6.3378 7.0195 7.0195 7.2640 7.2640 8.7640 8.7640 8.7718 8.7718 9.8205 9.8205 10.0346 10.0346 10.4854 10.4854 k = 0.3106 0.5380 0.2635 ( 6608 PWs) bands (ev): -19.2864 -19.2864 -19.2855 -19.2855 -6.6793 -6.6793 -6.3564 -6.3564 -5.3709 -5.3709 -4.7325 -4.7325 -4.3603 -4.3603 -4.1974 -4.1974 0.6106 0.6106 0.9983 0.9983 3.7250 3.7250 3.7512 3.7512 3.9039 3.9039 3.9299 3.9299 4.1770 4.1770 4.2790 4.2790 4.3732 4.3732 4.4273 4.4273 4.4743 4.4743 4.5122 4.5122 5.7029 5.7029 5.8046 5.8046 6.2793 6.2793 6.3767 6.3767 7.0151 7.0151 7.2591 7.2591 8.7791 8.7791 8.7865 8.7865 9.8214 9.8214 10.0331 10.0331 10.4779 10.4779 k = 0.3030 0.5249 0.2635 ( 6616 PWs) bands (ev): -19.2866 -19.2866 -19.2857 -19.2857 -6.6758 -6.6758 -6.3583 -6.3583 -5.3623 -5.3623 -4.7339 -4.7339 -4.3572 -4.3572 -4.1972 -4.1972 0.6014 0.6014 0.9832 0.9832 3.7279 3.7279 3.7523 3.7523 3.9032 3.9032 3.9272 3.9272 4.1796 4.1796 4.2787 4.2787 4.3726 4.3726 4.4257 4.4257 4.4731 4.4731 4.5085 4.5085 5.6618 5.6618 5.7628 5.7628 6.3310 6.3310 6.4214 6.4214 7.0102 7.0102 7.2541 7.2541 8.7983 8.7983 8.8040 8.8040 9.8248 9.8248 10.0326 10.0326 10.4685 10.4685 k = 0.2955 0.5117 0.2635 ( 6608 PWs) bands (ev): -19.2869 -19.2869 -19.2860 -19.2860 -6.6712 -6.6712 -6.3604 -6.3604 -5.3514 -5.3514 -4.7355 -4.7355 -4.3534 -4.3534 -4.1970 -4.1970 0.5895 0.5895 0.9639 0.9639 3.7315 3.7315 3.7537 3.7537 3.9022 3.9022 3.9237 3.9237 4.1830 4.1830 4.2783 4.2783 4.3717 4.3717 4.4236 4.4236 4.4717 4.4717 4.5039 4.5039 5.6187 5.6187 5.7183 5.7183 6.3847 6.3847 6.4669 6.4669 7.0065 7.0065 7.2507 7.2507 8.8196 8.8196 8.8213 8.8213 9.8329 9.8329 10.0344 10.0344 10.4580 10.4580 k = 0.2879 0.4986 0.2635 ( 6604 PWs) bands (ev): -19.2873 -19.2873 -19.2864 -19.2864 -6.6655 -6.6655 -6.3626 -6.3626 -5.3384 -5.3384 -4.7370 -4.7370 -4.3490 -4.3490 -4.1968 -4.1968 0.5747 0.5747 0.9404 0.9404 3.7357 3.7357 3.7552 3.7552 3.9010 3.9010 3.9195 3.9195 4.1871 4.1871 4.2778 4.2778 4.3707 4.3707 4.4207 4.4207 4.4701 4.4701 4.4986 4.4986 5.5758 5.5758 5.6731 5.6731 6.4360 6.4360 6.5094 6.5094 7.0064 7.0064 7.2514 7.2514 8.8354 8.8354 8.8408 8.8408 9.8479 9.8479 10.0400 10.0400 10.4479 10.4479 k = 0.2803 0.4855 0.2635 ( 6594 PWs) bands (ev): -19.2877 -19.2877 -19.2869 -19.2869 -6.6588 -6.6588 -6.3647 -6.3647 -5.3233 -5.3233 -4.7383 -4.7383 -4.3442 -4.3442 -4.1965 -4.1965 0.5571 0.5571 0.9128 0.9128 3.7404 3.7404 3.7568 3.7568 3.8996 3.8996 3.9147 3.9147 4.1918 4.1918 4.2772 4.2772 4.3693 4.3693 4.4171 4.4171 4.4682 4.4682 4.4928 4.4928 5.5343 5.5343 5.6286 5.6286 6.4807 6.4807 6.5452 6.5452 7.0127 7.0127 7.2585 7.2585 8.8431 8.8431 8.8594 8.8594 9.8716 9.8716 10.0506 10.0506 10.4402 10.4402 k = 0.2727 0.4724 0.2635 ( 6598 PWs) bands (ev): -19.2883 -19.2883 -19.2874 -19.2874 -6.6509 -6.6509 -6.3666 -6.3666 -5.3063 -5.3063 -4.7393 -4.7393 -4.3390 -4.3390 -4.1962 -4.1962 0.5367 0.5367 0.8814 0.8814 3.7455 3.7455 3.7583 3.7583 3.8978 3.8978 3.9093 3.9093 4.1970 4.1970 4.2764 4.2764 4.3677 4.3677 4.4127 4.4127 4.4661 4.4661 4.4866 4.4866 5.4952 5.4952 5.5856 5.5856 6.5150 6.5150 6.5719 6.5719 7.0279 7.0279 7.2739 7.2739 8.8424 8.8424 8.8735 8.8735 9.9043 9.9043 10.0661 10.0661 10.4379 10.4379 k = 0.2652 0.4593 0.2635 ( 6602 PWs) bands (ev): -19.2889 -19.2889 -19.2880 -19.2880 -6.6420 -6.6420 -6.3683 -6.3683 -5.2875 -5.2875 -4.7400 -4.7400 -4.3335 -4.3335 -4.1959 -4.1959 0.5135 0.5135 0.8462 0.8462 3.7508 3.7508 3.7599 3.7599 3.8957 3.8957 3.9034 3.9034 4.2028 4.2028 4.2755 4.2755 4.3658 4.3658 4.4073 4.4073 4.4638 4.4638 4.4803 4.4803 5.4588 5.4588 5.5449 5.5449 6.5369 6.5369 6.5879 6.5879 7.0534 7.0534 7.2982 7.2982 8.8328 8.8328 8.8816 8.8816 9.9441 9.9441 10.0846 10.0846 10.4456 10.4456 k = 0.2576 0.4461 0.2635 ( 6606 PWs) bands (ev): -19.2895 -19.2895 -19.2888 -19.2888 -6.6319 -6.6319 -6.3695 -6.3695 -5.2670 -5.2670 -4.7401 -4.7401 -4.3277 -4.3277 -4.1956 -4.1956 0.4876 0.4876 0.8073 0.8073 3.7562 3.7562 3.7614 3.7614 3.8932 3.8932 3.8972 3.8972 4.2090 4.2090 4.2745 4.2745 4.3635 4.3635 4.4010 4.4010 4.4614 4.4614 4.4740 4.4740 5.4255 5.4255 5.5067 5.5067 6.5461 6.5461 6.5932 6.5932 7.0884 7.0884 7.3306 7.3306 8.8154 8.8154 8.8837 8.8837 9.9865 9.9865 10.1017 10.1017 10.4691 10.4691 k = 0.2500 0.4330 0.2635 ( 6632 PWs) bands (ev): -19.2903 -19.2903 -19.2895 -19.2895 -6.6209 -6.6209 -6.3702 -6.3702 -5.2448 -5.2448 -4.7396 -4.7396 -4.3218 -4.3218 -4.1954 -4.1954 0.4589 0.4589 0.7650 0.7650 3.7615 3.7615 3.7627 3.7627 3.8904 3.8904 3.8907 3.8907 4.2154 4.2154 4.2732 4.2732 4.3611 4.3611 4.3938 4.3938 4.4588 4.4588 4.4678 4.4678 5.3955 5.3955 5.4715 5.4715 6.5446 6.5446 6.5892 6.5892 7.1297 7.1297 7.3684 7.3684 8.7924 8.7924 8.8807 8.8807 10.0251 10.0251 10.1129 10.1129 10.5135 10.5135 k = 0.2424 0.4199 0.2635 ( 6612 PWs) bands (ev): -19.2911 -19.2911 -19.2904 -19.2904 -6.6087 -6.6087 -6.3703 -6.3703 -5.2212 -5.2212 -4.7385 -4.7385 -4.3158 -4.3158 -4.1951 -4.1951 0.4276 0.4276 0.7195 0.7195 3.7639 3.7639 3.7667 3.7667 3.8842 3.8842 3.8874 3.8874 4.2222 4.2222 4.2719 4.2719 4.3584 4.3584 4.3859 4.3859 4.4561 4.4561 4.4619 4.4619 5.3690 5.3690 5.4393 5.4393 6.5351 6.5351 6.5778 6.5778 7.1735 7.1735 7.4084 7.4084 8.7673 8.7673 8.8747 8.8747 10.0545 10.0545 10.1158 10.1158 10.5807 10.5807 k = 0.2348 0.4068 0.2635 ( 6616 PWs) bands (ev): -19.2920 -19.2920 -19.2913 -19.2913 -6.5956 -6.5956 -6.3698 -6.3698 -5.1962 -5.1962 -4.7366 -4.7366 -4.3097 -4.3097 -4.1949 -4.1949 0.3936 0.3936 0.6708 0.6708 3.7650 3.7650 3.7715 3.7715 3.8778 3.8778 3.8839 3.8839 4.2289 4.2289 4.2704 4.2704 4.3556 4.3556 4.3774 4.3774 4.4531 4.4531 4.4562 4.4562 5.3458 5.3458 5.4105 5.4105 6.5202 6.5202 6.5608 6.5608 7.2156 7.2156 7.4464 7.4464 8.7439 8.7439 8.8685 8.8685 10.0723 10.0723 10.1114 10.1114 10.6684 10.6684 k = 0.2273 0.3936 0.2635 ( 6618 PWs) bands (ev): -19.2930 -19.2930 -19.2924 -19.2924 -6.5816 -6.5816 -6.3686 -6.3686 -5.1699 -5.1699 -4.7340 -4.7340 -4.3036 -4.3036 -4.1947 -4.1947 0.3571 0.3571 0.6192 0.6192 3.7659 3.7659 3.7756 3.7756 3.8716 3.8716 3.8802 3.8802 4.2355 4.2355 4.2687 4.2687 4.3527 4.3527 4.3686 4.3686 4.4500 4.4500 4.4507 4.4507 5.3262 5.3262 5.3849 5.3849 6.5019 6.5019 6.5402 6.5402 7.2526 7.2526 7.4784 7.4784 8.7263 8.7263 8.8652 8.8652 10.0798 10.0798 10.1022 10.1022 10.7725 10.7725 k = 0.2197 0.3805 0.2635 ( 6610 PWs) bands (ev): -19.2940 -19.2940 -19.2934 -19.2934 -6.5667 -6.5667 -6.3667 -6.3667 -5.1423 -5.1423 -4.7304 -4.7304 -4.2975 -4.2975 -4.1945 -4.1945 0.3181 0.3181 0.5649 0.5649 3.7667 3.7667 3.7788 3.7788 3.8660 3.8660 3.8762 3.8762 4.2418 4.2418 4.2668 4.2668 4.3498 4.3498 4.3597 4.3597 4.4453 4.4453 4.4466 4.4466 5.3099 5.3099 5.3629 5.3629 6.4818 6.4818 6.5173 6.5173 7.2815 7.2815 7.5006 7.5006 8.7184 8.7184 8.8676 8.8676 10.0803 10.0803 10.0905 10.0905 10.8881 10.8881 k = 0.2121 0.3674 0.2635 ( 6622 PWs) bands (ev): -19.2951 -19.2951 -19.2946 -19.2946 -6.5509 -6.5509 -6.3640 -6.3640 -5.1136 -5.1136 -4.7260 -4.7260 -4.2914 -4.2914 -4.1943 -4.1943 0.2768 0.2768 0.5080 0.5080 3.7674 3.7674 3.7810 3.7810 3.8610 3.8610 3.8719 3.8719 4.2475 4.2475 4.2646 4.2646 4.3469 4.3469 4.3510 4.3510 4.4400 4.4400 4.4429 4.4429 5.2969 5.2969 5.3442 5.3442 6.4608 6.4608 6.4932 6.4932 7.3001 7.3001 7.5102 7.5102 8.7231 8.7231 8.8781 8.8781 10.0766 10.0766 10.0781 10.0781 11.0097 11.0097 k = 0.2045 0.3543 0.2635 ( 6628 PWs) bands (ev): -19.2963 -19.2963 -19.2958 -19.2958 -6.5345 -6.5345 -6.3606 -6.3606 -5.0838 -5.0838 -4.7206 -4.7206 -4.2855 -4.2855 -4.1942 -4.1942 0.2332 0.2332 0.4488 0.4488 3.7679 3.7679 3.7821 3.7821 3.8570 3.8570 3.8674 3.8674 4.2526 4.2526 4.2622 4.2622 4.3428 4.3428 4.3441 4.3441 4.4348 4.4348 4.4389 4.4389 5.2872 5.2872 5.3290 5.3290 6.4399 6.4399 6.4688 6.4688 7.3072 7.3072 7.5057 7.5057 8.7421 8.7421 8.8984 8.8984 10.0666 10.0666 10.0712 10.0712 11.1306 11.1306 k = 0.1970 0.3412 0.2635 ( 6632 PWs) bands (ev): -19.2975 -19.2975 -19.2970 -19.2970 -6.5174 -6.5174 -6.3565 -6.3565 -5.0531 -5.0531 -4.7141 -4.7141 -4.2797 -4.2797 -4.1941 -4.1941 0.1874 0.1874 0.3875 0.3875 3.7684 3.7684 3.7818 3.7818 3.8538 3.8538 3.8627 3.8627 4.2567 4.2567 4.2596 4.2596 4.3353 4.3353 4.3414 4.3414 4.4296 4.4296 4.4346 4.4346 5.2805 5.2805 5.3171 5.3171 6.4196 6.4196 6.4448 6.4448 7.3025 7.3025 7.4871 7.4871 8.7751 8.7751 8.9287 8.9287 10.0571 10.0571 10.0660 10.0660 11.2407 11.2407 k = 0.1894 0.3280 0.2635 ( 6632 PWs) bands (ev): -19.2988 -19.2988 -19.2984 -19.2984 -6.4998 -6.4998 -6.3517 -6.3517 -5.0214 -5.0214 -4.7066 -4.7066 -4.2740 -4.2740 -4.1941 -4.1941 0.1395 0.1395 0.3243 0.3243 3.7687 3.7687 3.7804 3.7804 3.8516 3.8516 3.8578 3.8578 4.2568 4.2568 4.2597 4.2597 4.3288 4.3288 4.3390 4.3390 4.4244 4.4244 4.4299 4.4299 5.2768 5.2768 5.3086 5.3086 6.4003 6.4003 6.4217 6.4217 7.2865 7.2865 7.4560 7.4560 8.8206 8.8206 8.9685 8.9685 10.0508 10.0508 10.0627 10.0627 11.3278 11.3278 k = 0.1818 0.3149 0.2635 ( 6624 PWs) bands (ev): -19.3001 -19.3001 -19.2997 -19.2997 -6.4817 -6.4817 -6.3463 -6.3463 -4.9889 -4.9889 -4.6980 -4.6980 -4.2684 -4.2684 -4.1940 -4.1940 0.0898 0.0898 0.2595 0.2595 3.7690 3.7690 3.7781 3.7781 3.8500 3.8500 3.8528 3.8528 4.2539 4.2539 4.2616 4.2616 4.3233 4.3233 4.3367 4.3367 4.4193 4.4193 4.4249 4.4249 5.2759 5.2759 5.3032 5.3032 6.3824 6.3824 6.3998 6.3998 7.2605 7.2605 7.4146 7.4146 8.8757 8.8757 9.0160 9.0160 10.0489 10.0489 10.0625 10.0625 11.3844 11.3844 k = 0.1742 0.3018 0.2635 ( 6624 PWs) bands (ev): -19.3014 -19.3014 -19.3011 -19.3011 -6.4633 -6.4633 -6.3402 -6.3402 -4.9556 -4.9556 -4.6882 -4.6882 -4.2630 -4.2630 -4.1940 -4.1940 0.0384 0.0384 0.1932 0.1932 3.7693 3.7693 3.7752 3.7752 3.8478 3.8478 3.8488 3.8488 4.2510 4.2510 4.2622 4.2622 4.3188 4.3188 4.3347 4.3347 4.4142 4.4142 4.4195 4.4195 5.2776 5.2776 5.3009 5.3009 6.3661 6.3661 6.3794 6.3794 7.2263 7.2263 7.3655 7.3655 8.9373 8.9373 9.0689 9.0689 10.0527 10.0527 10.0669 10.0669 11.4144 11.4144 k = 0.1667 0.2887 0.2635 ( 6612 PWs) bands (ev): -19.3028 -19.3028 -19.3025 -19.3025 -6.4447 -6.4447 -6.3336 -6.3336 -4.9217 -4.9217 -4.6774 -4.6774 -4.2577 -4.2577 -4.1941 -4.1941 -0.0147 -0.0147 0.1258 0.1258 3.7695 3.7695 3.7719 3.7719 3.8428 3.8428 3.8478 3.8478 4.2480 4.2480 4.2618 4.2618 4.3151 4.3151 4.3330 4.3330 4.4091 4.4091 4.4137 4.4137 5.2818 5.2818 5.3015 5.3015 6.3515 6.3515 6.3607 6.3607 7.1857 7.1857 7.3109 7.3109 9.0021 9.0021 9.1243 9.1243 10.0638 10.0638 10.0774 10.0774 11.4263 11.4263 k = 0.1591 0.2756 0.2635 ( 6624 PWs) bands (ev): -19.3042 -19.3042 -19.3039 -19.3039 -6.4261 -6.4261 -6.3265 -6.3265 -4.8873 -4.8873 -4.6654 -4.6654 -4.2526 -4.2526 -4.1941 -4.1941 -0.0690 -0.0690 0.0575 0.0575 3.7684 3.7684 3.7696 3.7696 3.8377 3.8377 3.8466 3.8466 4.2451 4.2451 4.2607 4.2607 4.3120 4.3120 4.3313 4.3313 4.4040 4.4040 4.4075 4.4075 5.2883 5.2883 5.3047 5.3047 6.3388 6.3388 6.3438 6.3438 7.1404 7.1404 7.2530 7.2530 9.0667 9.0667 9.1790 9.1790 10.0838 10.0838 10.0954 10.0954 11.4272 11.4272 k = 0.1515 0.2624 0.2635 ( 6622 PWs) bands (ev): -19.3056 -19.3056 -19.3053 -19.3053 -6.4075 -6.4075 -6.3189 -6.3189 -4.8524 -4.8524 -4.6522 -4.6522 -4.2477 -4.2477 -4.1942 -4.1942 -0.1245 -0.1245 -0.0114 -0.0114 3.7651 3.7651 3.7696 3.7696 3.8328 3.8328 3.8452 3.8452 4.2423 4.2423 4.2593 4.2593 4.3091 4.3091 4.3299 4.3299 4.3990 4.3990 4.4010 4.4010 5.2968 5.2968 5.3104 5.3104 6.3280 6.3280 6.3290 6.3290 7.0920 7.0920 7.1933 7.1933 9.1281 9.1281 9.2299 9.2299 10.1146 10.1146 10.1227 10.1227 11.4213 11.4213 k = 0.1439 0.2493 0.2635 ( 6610 PWs) bands (ev): -19.3070 -19.3070 -19.3067 -19.3067 -6.3891 -6.3891 -6.3110 -6.3110 -4.8172 -4.8172 -4.6380 -4.6380 -4.2430 -4.2430 -4.1943 -4.1943 -0.1809 -0.1809 -0.0805 -0.0805 3.7620 3.7620 3.7696 3.7696 3.8280 3.8280 3.8435 3.8435 4.2398 4.2398 4.2578 4.2578 4.3061 4.3061 4.3285 4.3285 4.3941 4.3941 4.3943 4.3943 5.3071 5.3071 5.3184 5.3184 6.3161 6.3161 6.3190 6.3190 7.0419 7.0419 7.1333 7.1333 9.1835 9.1835 9.2742 9.2742 10.1575 10.1575 10.1605 10.1605 11.4110 11.4110 k = 0.1364 0.2362 0.2635 ( 6602 PWs) bands (ev): -19.3084 -19.3084 -19.3082 -19.3082 -6.3709 -6.3709 -6.3028 -6.3028 -4.7818 -4.7818 -4.6226 -4.6226 -4.2385 -4.2385 -4.1944 -4.1944 -0.2378 -0.2378 -0.1496 -0.1496 3.7593 3.7593 3.7695 3.7695 3.8234 3.8234 3.8413 3.8413 4.2376 4.2376 4.2565 4.2565 4.3029 4.3029 4.3272 4.3272 4.3873 4.3873 4.3893 4.3893 5.3190 5.3190 5.3282 5.3282 6.3053 6.3053 6.3119 6.3119 6.9913 6.9913 7.0738 7.0738 9.2306 9.2306 9.3100 9.3100 10.2100 10.2100 10.2131 10.2131 11.3982 11.3982 k = 0.1288 0.2231 0.2635 ( 6606 PWs) bands (ev): -19.3097 -19.3097 -19.3096 -19.3096 -6.3532 -6.3532 -6.2945 -6.2945 -4.7463 -4.7463 -4.6063 -4.6063 -4.2341 -4.2341 -4.1945 -4.1945 -0.2951 -0.2951 -0.2183 -0.2183 3.7569 3.7569 3.7692 3.7692 3.8189 3.8189 3.8387 3.8387 4.2358 4.2358 4.2555 4.2555 4.2994 4.2994 4.3259 4.3259 4.3802 4.3802 4.3845 4.3845 5.3321 5.3321 5.3397 5.3397 6.2965 6.2965 6.3064 6.3064 6.9413 6.9413 7.0159 7.0159 9.2683 9.2683 9.3364 9.3364 10.2712 10.2712 10.2812 10.2812 11.3840 11.3840 k = 0.1212 0.2099 0.2635 ( 6606 PWs) bands (ev): -19.3111 -19.3111 -19.3110 -19.3110 -6.3361 -6.3361 -6.2860 -6.2860 -4.7111 -4.7111 -4.5891 -4.5891 -4.2299 -4.2299 -4.1946 -4.1946 -0.3524 -0.3524 -0.2863 -0.2863 3.7549 3.7549 3.7688 3.7688 3.8148 3.8148 3.8356 3.8356 4.2343 4.2343 4.2549 4.2549 4.2956 4.2956 4.3244 4.3244 4.3732 4.3732 4.3797 4.3797 5.3463 5.3463 5.3524 5.3524 6.2897 6.2897 6.3025 6.3025 6.8927 6.8927 6.9602 6.9602 9.2960 9.2960 9.3534 9.3534 10.3435 10.3435 10.3607 10.3607 11.3696 11.3696 k = 0.1136 0.1968 0.2635 ( 6604 PWs) bands (ev): -19.3124 -19.3124 -19.3123 -19.3123 -6.3196 -6.3196 -6.2774 -6.2774 -4.6761 -4.6761 -4.5711 -4.5711 -4.2258 -4.2258 -4.1946 -4.1946 -0.4094 -0.4094 -0.3531 -0.3531 3.7533 3.7533 3.7681 3.7681 3.8110 3.8110 3.8321 3.8321 4.2333 4.2333 4.2547 4.2547 4.2915 4.2915 4.3227 4.3227 4.3664 4.3664 4.3751 4.3751 5.3612 5.3612 5.3662 5.3662 6.2847 6.2847 6.3000 6.3000 6.8463 6.8463 6.9073 6.9073 9.3141 9.3141 9.3618 9.3618 10.4255 10.4255 10.4496 10.4496 11.3557 11.3557 k = 0.1061 0.1837 0.2635 ( 6600 PWs) bands (ev): -19.3137 -19.3137 -19.3136 -19.3136 -6.3039 -6.3039 -6.2689 -6.2689 -4.6417 -4.6417 -4.5525 -4.5525 -4.2219 -4.2219 -4.1947 -4.1947 -0.4657 -0.4657 -0.4185 -0.4185 3.7521 3.7521 3.7673 3.7673 3.8075 3.8075 3.8283 3.8283 4.2327 4.2327 4.2549 4.2549 4.2873 4.2873 4.3206 4.3206 4.3599 4.3599 4.3706 4.3706 5.3766 5.3766 5.3807 5.3807 6.2812 6.2812 6.2984 6.2984 6.8028 6.8028 6.8576 6.8576 9.3236 9.3236 9.3626 9.3626 10.5153 10.5153 10.5457 10.5457 11.3431 11.3431 k = 0.0985 0.1706 0.2635 ( 6588 PWs) bands (ev): -19.3149 -19.3149 -19.3149 -19.3149 -6.2891 -6.2891 -6.2605 -6.2605 -4.6081 -4.6081 -4.5334 -4.5334 -4.2181 -4.2181 -4.1946 -4.1946 -0.5208 -0.5208 -0.4819 -0.4819 3.7513 3.7513 3.7662 3.7662 3.8044 3.8044 3.8243 3.8243 4.2326 4.2326 4.2555 4.2555 4.2830 4.2830 4.3180 4.3180 4.3542 4.3542 4.3661 4.3661 5.3922 5.3922 5.3955 5.3955 6.2792 6.2792 6.2976 6.2976 6.7628 6.7628 6.8117 6.8117 9.3256 9.3256 9.3572 9.3572 10.6105 10.6105 10.6468 10.6468 11.3324 11.3324 k = 0.0909 0.1575 0.2635 ( 6588 PWs) bands (ev): -19.3161 -19.3161 -19.3161 -19.3161 -6.2752 -6.2752 -6.2523 -6.2523 -4.5755 -4.5755 -4.5141 -4.5141 -4.2144 -4.2144 -4.1945 -4.1945 -0.5745 -0.5745 -0.5430 -0.5430 3.7508 3.7508 3.7649 3.7649 3.8016 3.8016 3.8200 3.8200 4.2329 4.2329 4.2562 4.2562 4.2788 4.2788 4.3145 4.3145 4.3493 4.3493 4.3618 4.3618 5.4077 5.4077 5.4104 5.4104 6.2783 6.2783 6.2970 6.2970 6.7267 6.7267 6.7698 6.7698 9.3214 9.3214 9.3464 9.3464 10.7089 10.7089 10.7506 10.7506 11.3242 11.3242 k = 0.0833 0.1443 0.2635 ( 6594 PWs) bands (ev): -19.3172 -19.3172 -19.3172 -19.3172 -6.2622 -6.2622 -6.2444 -6.2444 -4.5442 -4.5442 -4.4948 -4.4948 -4.2109 -4.2109 -4.1943 -4.1943 -0.6263 -0.6263 -0.6013 -0.6013 3.7506 3.7506 3.7635 3.7635 3.7992 3.7992 3.8156 3.8156 4.2336 4.2336 4.2570 4.2570 4.2749 4.2749 4.3103 4.3103 4.3453 4.3453 4.3575 4.3575 5.4229 5.4229 5.4251 5.4251 6.2781 6.2781 6.2963 6.2963 6.6951 6.6951 6.7323 6.7323 9.3119 9.3119 9.3315 9.3315 10.8082 10.8082 10.8548 10.8548 11.3188 11.3188 k = 0.0758 0.1312 0.2635 ( 6588 PWs) bands (ev): -19.3183 -19.3183 -19.3183 -19.3183 -6.2504 -6.2504 -6.2368 -6.2368 -4.5145 -4.5145 -4.4757 -4.4757 -4.2074 -4.2074 -4.1940 -4.1940 -0.6758 -0.6758 -0.6565 -0.6565 3.7507 3.7507 3.7620 3.7620 3.7971 3.7971 3.8112 3.8112 4.2347 4.2347 4.2576 4.2576 4.2715 4.2715 4.3053 4.3053 4.3424 4.3424 4.3535 4.3535 5.4375 5.4375 5.4393 5.4393 6.2782 6.2782 6.2950 6.2950 6.6683 6.6683 6.6996 6.6996 9.2984 9.2984 9.3134 9.3134 10.9059 10.9059 10.9570 10.9570 11.3167 11.3167 k = 0.0682 0.1181 0.2635 ( 6594 PWs) bands (ev): -19.3193 -19.3193 -19.3192 -19.3192 -6.2397 -6.2397 -6.2296 -6.2296 -4.4868 -4.4868 -4.4572 -4.4572 -4.2041 -4.2041 -4.1935 -4.1935 -0.7225 -0.7225 -0.7080 -0.7080 3.7509 3.7509 3.7604 3.7604 3.7952 3.7952 3.8069 3.8069 4.2361 4.2361 4.2577 4.2577 4.2690 4.2690 4.2999 4.2999 4.3402 4.3402 4.3498 4.3498 5.4513 5.4513 5.4527 5.4527 6.2782 6.2782 6.2929 6.2929 6.6464 6.6464 6.6718 6.6718 9.2818 9.2818 9.2930 9.2930 10.9997 10.9997 11.0548 11.0548 11.3181 11.3181 k = 0.0606 0.1050 0.2635 ( 6602 PWs) bands (ev): -19.3201 -19.3201 -19.3201 -19.3201 -6.2301 -6.2301 -6.2230 -6.2230 -4.4612 -4.4612 -4.4396 -4.4396 -4.2009 -4.2009 -4.1929 -4.1929 -0.7659 -0.7659 -0.7555 -0.7555 3.7513 3.7513 3.7589 3.7589 3.7935 3.7935 3.8027 3.8027 4.2377 4.2377 4.2569 4.2569 4.2677 4.2677 4.2942 4.2942 4.3386 4.3386 4.3463 4.3463 5.4641 5.4641 5.4652 5.4652 6.2777 6.2777 6.2898 6.2898 6.6294 6.6294 6.6490 6.6490 9.2633 9.2633 9.2713 9.2713 11.0871 11.0871 11.1455 11.1455 11.3233 11.3233 k = 0.0530 0.0919 0.2635 ( 6594 PWs) bands (ev): -19.3209 -19.3209 -19.3209 -19.3209 -6.2217 -6.2217 -6.2169 -6.2169 -4.4381 -4.4381 -4.4230 -4.4230 -4.1979 -4.1979 -4.1921 -4.1921 -0.8056 -0.8056 -0.7985 -0.7985 3.7518 3.7518 3.7575 3.7575 3.7920 3.7920 3.7988 3.7988 4.2397 4.2397 4.2554 4.2554 4.2674 4.2674 4.2885 4.2885 4.3375 4.3375 4.3432 4.3432 5.4758 5.4758 5.4765 5.4765 6.2766 6.2766 6.2858 6.2858 6.6169 6.6169 6.6312 6.6312 9.2437 9.2437 9.2492 9.2492 11.1661 11.1661 11.2261 11.2261 11.3327 11.3327 k = 0.0455 0.0787 0.2635 ( 6590 PWs) bands (ev): -19.3216 -19.3216 -19.3216 -19.3216 -6.2144 -6.2144 -6.2114 -6.2114 -4.4178 -4.4178 -4.4080 -4.4080 -4.1951 -4.1951 -4.1912 -4.1912 -0.8412 -0.8412 -0.8366 -0.8366 3.7523 3.7523 3.7563 3.7563 3.7906 3.7906 3.7953 3.7953 4.2418 4.2418 4.2537 4.2537 4.2674 4.2674 4.2831 4.2831 4.3366 4.3366 4.3405 4.3405 5.4861 5.4861 5.4866 5.4866 6.2746 6.2746 6.2810 6.2810 6.6082 6.6082 6.6179 6.6179 9.2242 9.2242 9.2277 9.2277 11.2348 11.2348 11.2923 11.2923 11.3482 11.3482 k = 0.0379 0.0656 0.2635 ( 6606 PWs) bands (ev): -19.3223 -19.3223 -19.3222 -19.3222 -6.2084 -6.2084 -6.2066 -6.2066 -4.4005 -4.4005 -4.3946 -4.3946 -4.1925 -4.1925 -4.1901 -4.1901 -0.8722 -0.8722 -0.8695 -0.8695 3.7527 3.7527 3.7553 3.7553 3.7893 3.7893 3.7923 3.7923 4.2439 4.2439 4.2522 4.2522 4.2675 4.2675 4.2781 4.2781 4.3358 4.3358 4.3383 4.3383 5.4950 5.4950 5.4953 5.4953 6.2720 6.2720 6.2760 6.2760 6.6027 6.6027 6.6086 6.6086 9.2056 9.2056 9.2077 9.2077 11.2919 11.2919 11.3356 11.3356 11.3766 11.3766 k = 0.0303 0.0525 0.2635 ( 6606 PWs) bands (ev): -19.3228 -19.3228 -19.3227 -19.3227 -6.2035 -6.2035 -6.2025 -6.2025 -4.3864 -4.3864 -4.3832 -4.3832 -4.1903 -4.1903 -4.1890 -4.1890 -0.8983 -0.8983 -0.8969 -0.8969 3.7531 3.7531 3.7545 3.7545 3.7881 3.7881 3.7898 3.7898 4.2460 4.2460 4.2511 4.2511 4.2673 4.2673 4.2737 4.2737 4.3352 4.3352 4.3365 4.3365 5.5024 5.5024 5.5026 5.5026 6.2691 6.2691 6.2712 6.2712 6.5995 6.5995 6.6026 6.6026 9.1889 9.1889 9.1900 9.1900 11.3368 11.3368 11.3593 11.3593 11.4131 11.4131 k = 0.0227 0.0394 0.2635 ( 6614 PWs) bands (ev): -19.3231 -19.3231 -19.3231 -19.3231 -6.1997 -6.1997 -6.1993 -6.1993 -4.3754 -4.3754 -4.3741 -4.3741 -4.1884 -4.1884 -4.1878 -4.1878 -0.9190 -0.9190 -0.9184 -0.9184 3.7533 3.7533 3.7539 3.7539 3.7871 3.7871 3.7879 3.7879 4.2479 4.2479 4.2505 4.2505 4.2669 4.2669 4.2700 4.2700 4.3347 4.3347 4.3353 4.3353 5.5082 5.5082 5.5082 5.5082 6.2661 6.2661 6.2671 6.2671 6.5978 6.5978 6.5991 6.5991 9.1750 9.1750 9.1755 9.1755 11.3699 11.3699 11.3779 11.3779 11.4430 11.4431 k = 0.0152 0.0262 0.2635 ( 6614 PWs) bands (ev): -19.3234 -19.3234 -19.3234 -19.3234 -6.1970 -6.1970 -6.1969 -6.1969 -4.3677 -4.3677 -4.3673 -4.3673 -4.1871 -4.1871 -4.1869 -4.1869 -0.9340 -0.9340 -0.9339 -0.9339 3.7534 3.7534 3.7536 3.7536 3.7863 3.7863 3.7866 3.7866 4.2494 4.2494 4.2503 4.2503 4.2662 4.2662 4.2673 4.2673 4.3343 4.3343 4.3344 4.3344 5.5123 5.5123 5.5124 5.5124 6.2636 6.2636 6.2639 6.2639 6.5970 6.5970 6.5974 6.5974 9.1645 9.1645 9.1646 9.1646 11.3924 11.3924 11.3940 11.3940 11.4629 11.4629 k = 0.0076 0.0131 0.2635 ( 6610 PWs) bands (ev): -19.3236 -19.3236 -19.3236 -19.3236 -6.1955 -6.1955 -6.1955 -6.1955 -4.3632 -4.3632 -4.3631 -4.3631 -4.1862 -4.1862 -4.1862 -4.1862 -0.9432 -0.9432 -0.9432 -0.9432 3.7534 3.7534 3.7534 3.7534 3.7858 3.7858 3.7858 3.7858 4.2503 4.2503 4.2504 4.2504 4.2656 4.2656 4.2657 4.2657 4.3340 4.3340 4.3340 4.3340 5.5148 5.5148 5.5148 5.5148 6.2619 6.2619 6.2620 6.2620 6.5966 6.5966 6.5967 6.5967 9.1579 9.1579 9.1579 9.1579 11.4058 11.4058 11.4059 11.4059 11.4773 11.4775 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.3237 -19.3237 -19.3237 -19.3237 -6.1950 -6.1950 -6.1950 -6.1950 -4.3617 -4.3617 -4.3617 -4.3617 -4.1860 -4.1860 -4.1860 -4.1860 -0.9463 -0.9463 -0.9463 -0.9463 3.7534 3.7534 3.7534 3.7534 3.7856 3.7856 3.7856 3.7856 4.2506 4.2506 4.2506 4.2506 4.2653 4.2653 4.2653 4.2653 4.3339 4.3339 4.3339 4.3339 5.5157 5.5157 5.5157 5.5157 6.2613 6.2613 6.2613 6.2613 6.5965 6.5965 6.5965 6.5965 9.1557 9.1557 9.1557 9.1557 11.4104 11.4104 11.4104 11.4104 11.4845 11.4845 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.2899 -19.2899 -19.2899 -19.2899 -6.5263 -6.5263 -6.5263 -6.5263 -4.9814 -4.9814 -4.9814 -4.9814 -4.2142 -4.2142 -4.2142 -4.2142 0.5156 0.5156 0.5156 0.5156 3.8079 3.8079 3.8079 3.8079 3.8608 3.8608 3.8608 3.8608 4.2843 4.2843 4.2843 4.2843 4.3871 4.3871 4.3871 4.3871 4.4109 4.4109 4.4109 4.4109 5.3627 5.3627 5.3627 5.3627 6.5031 6.5031 6.5031 6.5031 8.1455 8.1455 8.1455 8.1455 8.4577 8.4577 8.4577 8.4577 10.1650 10.1650 10.1650 10.1650 10.5702 10.5702 k = 0.5000 0.2887 0.2489 ( 6616 PWs) bands (ev): -19.2900 -19.2900 -19.2899 -19.2899 -6.5265 -6.5265 -6.5261 -6.5261 -4.9815 -4.9815 -4.9812 -4.9812 -4.2155 -4.2155 -4.2131 -4.2131 0.5152 0.5152 0.5159 0.5159 3.8011 3.8011 3.8132 3.8132 3.8572 3.8572 3.8657 3.8657 4.2725 4.2725 4.2960 4.2960 4.3802 4.3802 4.3942 4.3942 4.4064 4.4064 4.4157 4.4157 5.3493 5.3493 5.3786 5.3786 6.4645 6.4645 6.5382 6.5382 8.1290 8.1290 8.1626 8.1626 8.4019 8.4019 8.5174 8.5174 10.0927 10.0927 10.2386 10.2386 10.5512 10.5512 k = 0.5000 0.2887 0.2343 ( 6608 PWs) bands (ev): -19.2900 -19.2900 -19.2898 -19.2898 -6.5268 -6.5268 -6.5258 -6.5258 -4.9816 -4.9816 -4.9811 -4.9811 -4.2167 -4.2167 -4.2119 -4.2119 0.5147 0.5147 0.5162 0.5162 3.7930 3.7930 3.8170 3.8170 3.8548 3.8548 3.8719 3.8719 4.2611 4.2611 4.3074 4.3074 4.3742 4.3742 4.3994 4.3994 4.4051 4.4051 4.4208 4.4208 5.3385 5.3385 5.3971 5.3971 6.4231 6.4231 6.5690 6.5690 8.1133 8.1133 8.1800 8.1800 8.3513 8.3513 8.5798 8.5798 10.0220 10.0220 10.3127 10.3128 10.5298 10.5298 k = 0.5000 0.2887 0.2196 ( 6618 PWs) bands (ev): -19.2901 -19.2901 -19.2897 -19.2897 -6.5270 -6.5270 -6.5256 -6.5256 -4.9818 -4.9818 -4.9809 -4.9809 -4.2179 -4.2179 -4.2108 -4.2108 0.5141 0.5141 0.5163 0.5163 3.7842 3.7842 3.8192 3.8192 3.8534 3.8534 3.8791 3.8791 4.2501 4.2501 4.3179 4.3179 4.3692 4.3692 4.3968 4.3968 4.4124 4.4124 4.4262 4.4262 5.3304 5.3304 5.4181 5.4181 6.3794 6.3794 6.5947 6.5947 8.0988 8.0988 8.1971 8.1971 8.3079 8.3079 8.6437 8.6437 9.9531 9.9531 10.3865 10.3866 10.5006 10.5006 k = 0.5000 0.2887 0.2050 ( 6618 PWs) bands (ev): -19.2901 -19.2901 -19.2897 -19.2897 -6.5272 -6.5272 -6.5253 -6.5253 -4.9819 -4.9819 -4.9808 -4.9808 -4.2192 -4.2192 -4.2097 -4.2097 0.5135 0.5135 0.5164 0.5164 3.7750 3.7750 3.8203 3.8203 3.8527 3.8527 3.8867 3.8867 4.2397 4.2397 4.3266 4.3266 4.3657 4.3657 4.3933 4.3933 4.4216 4.4216 4.4319 4.4319 5.3250 5.3250 5.4415 5.4415 6.3341 6.3341 6.6144 6.6144 8.0857 8.0857 8.2110 8.2110 8.2751 8.2751 8.7080 8.7080 9.8864 9.8864 10.4427 10.4427 10.4650 10.4650 k = 0.5000 0.2887 0.1903 ( 6620 PWs) bands (ev): -19.2902 -19.2902 -19.2896 -19.2896 -6.5274 -6.5274 -6.5251 -6.5251 -4.9820 -4.9820 -4.9806 -4.9806 -4.2204 -4.2204 -4.2087 -4.2087 0.5128 0.5128 0.5164 0.5164 3.7658 3.7658 3.8205 3.8205 3.8525 3.8525 3.8945 3.8945 4.2299 4.2299 4.3323 4.3323 4.3647 4.3647 4.3902 4.3902 4.4309 4.4309 4.4385 4.4385 5.3223 5.3223 5.4672 5.4672 6.2876 6.2876 6.6273 6.6273 8.0746 8.0746 8.2120 8.2120 8.2637 8.2637 8.7717 8.7717 9.8221 9.8221 10.3590 10.3590 10.5223 10.5223 k = 0.5000 0.2887 0.1757 ( 6624 PWs) bands (ev): -19.2902 -19.2902 -19.2896 -19.2896 -6.5276 -6.5276 -6.5248 -6.5248 -4.9821 -4.9821 -4.9804 -4.9804 -4.2216 -4.2216 -4.2077 -4.2077 0.5121 0.5121 0.5163 0.5163 3.7566 3.7566 3.8202 3.8202 3.8525 3.8525 3.9022 3.9022 4.2208 4.2208 4.3342 4.3342 4.3665 4.3665 4.3880 4.3880 4.4387 4.4387 4.4474 4.4474 5.3223 5.3223 5.4951 5.4951 6.2403 6.2403 6.6329 6.6329 8.0654 8.0654 8.1992 8.1992 8.2752 8.2752 8.8338 8.8338 9.7605 9.7605 10.2445 10.2445 10.5404 10.5404 k = 0.5000 0.2887 0.1611 ( 6622 PWs) bands (ev): -19.2903 -19.2903 -19.2895 -19.2895 -6.5278 -6.5278 -6.5246 -6.5246 -4.9821 -4.9821 -4.9803 -4.9803 -4.2227 -4.2227 -4.2068 -4.2068 0.5114 0.5114 0.5162 0.5162 3.7478 3.7478 3.8196 3.8196 3.8527 3.8527 3.9095 3.9095 4.2125 4.2125 4.3333 4.3333 4.3691 4.3691 4.3874 4.3874 4.4448 4.4448 4.4586 4.4586 5.3251 5.3251 5.5250 5.5250 6.1926 6.1926 6.6309 6.6309 8.0583 8.0583 8.1884 8.1884 8.2946 8.2946 8.8934 8.8934 9.7018 9.7018 10.1199 10.1199 10.5313 10.5313 k = 0.5000 0.2887 0.1464 ( 6638 PWs) bands (ev): -19.2903 -19.2903 -19.2895 -19.2895 -6.5280 -6.5280 -6.5244 -6.5244 -4.9822 -4.9822 -4.9801 -4.9801 -4.2238 -4.2238 -4.2060 -4.2060 0.5106 0.5106 0.5160 0.5160 3.7394 3.7394 3.8187 3.8187 3.8530 3.8530 3.9162 3.9162 4.2050 4.2050 4.3309 4.3309 4.3704 4.3704 4.3891 4.3891 4.4500 4.4500 4.4708 4.4708 5.3306 5.3306 5.5568 5.5568 6.1450 6.1450 6.6213 6.6213 8.0524 8.0524 8.1854 8.1854 8.3171 8.3171 8.9497 8.9497 9.6462 9.6462 9.9927 9.9927 10.5216 10.5216 k = 0.5000 0.2887 0.1318 ( 6634 PWs) bands (ev): -19.2903 -19.2903 -19.2895 -19.2895 -6.5281 -6.5281 -6.5241 -6.5241 -4.9823 -4.9823 -4.9800 -4.9800 -4.2248 -4.2248 -4.2052 -4.2052 0.5099 0.5099 0.5158 0.5158 3.7317 3.7317 3.8177 3.8177 3.8533 3.8533 3.9224 3.9224 4.1983 4.1983 4.3282 4.3282 4.3700 4.3700 4.3927 4.3927 4.4548 4.4548 4.4834 4.4834 5.3388 5.3388 5.5900 5.5900 6.0978 6.0978 6.6047 6.6047 8.0469 8.0469 8.1915 8.1915 8.3420 8.3420 9.0021 9.0021 9.5942 9.5942 9.8661 9.8661 10.5134 10.5134 k = 0.5000 0.2887 0.1171 ( 6634 PWs) bands (ev): -19.2904 -19.2904 -19.2894 -19.2894 -6.5283 -6.5283 -6.5240 -6.5240 -4.9823 -4.9823 -4.9798 -4.9798 -4.2258 -4.2258 -4.2045 -4.2045 0.5091 0.5091 0.5155 0.5155 3.7246 3.7246 3.8167 3.8167 3.8536 3.8536 3.9279 3.9279 4.1924 4.1924 4.3255 4.3255 4.3688 4.3688 4.3968 4.3968 4.4592 4.4592 4.4958 4.4958 5.3495 5.3495 5.6242 5.6242 6.0516 6.0516 6.5820 6.5820 8.0415 8.0415 8.2062 8.2062 8.3695 8.3695 9.0496 9.0496 9.5458 9.5458 9.7415 9.7415 10.5067 10.5067 k = 0.5000 0.2887 0.1025 ( 6626 PWs) bands (ev): -19.2904 -19.2904 -19.2894 -19.2894 -6.5284 -6.5284 -6.5238 -6.5238 -4.9823 -4.9823 -4.9797 -4.9797 -4.2266 -4.2266 -4.2039 -4.2039 0.5085 0.5085 0.5153 0.5153 3.7182 3.7182 3.8157 3.8157 3.8538 3.8538 3.9327 3.9327 4.1873 4.1873 4.3230 4.3230 4.3673 4.3673 4.4009 4.4009 4.4632 4.4632 4.5078 4.5078 5.3626 5.3626 5.6588 5.6588 6.0070 6.0070 6.5545 6.5545 8.0360 8.0360 8.2276 8.2276 8.4008 8.4008 9.0917 9.0917 9.5015 9.5015 9.6202 9.6202 10.5010 10.5010 k = 0.5000 0.2887 0.0878 ( 6616 PWs) bands (ev): -19.2904 -19.2904 -19.2894 -19.2894 -6.5285 -6.5285 -6.5236 -6.5236 -4.9824 -4.9824 -4.9796 -4.9796 -4.2274 -4.2274 -4.2034 -4.2034 0.5078 0.5078 0.5150 0.5150 3.7126 3.7126 3.8148 3.8148 3.8541 3.8541 3.9368 3.9368 4.1830 4.1830 4.3208 4.3208 4.3658 4.3658 4.4046 4.4046 4.4667 4.4667 4.5188 4.5188 5.3777 5.3777 5.6930 5.6930 5.9648 5.9648 6.5236 6.5236 8.0307 8.0307 8.2526 8.2526 8.4374 8.4374 9.1272 9.1272 9.4614 9.4614 9.5037 9.5037 10.4964 10.4964 k = 0.5000 0.2887 0.0732 ( 6616 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5286 -6.5286 -6.5235 -6.5235 -4.9824 -4.9824 -4.9795 -4.9795 -4.2281 -4.2281 -4.2029 -4.2029 0.5073 0.5073 0.5148 0.5148 3.7077 3.7077 3.8140 3.8140 3.8542 3.8542 3.9402 3.9402 4.1793 4.1793 4.3189 4.3189 4.3644 4.3644 4.4077 4.4077 4.4697 4.4697 4.5287 4.5287 5.3942 5.3942 5.7252 5.7252 5.9262 5.9262 6.4912 6.4912 8.0259 8.0259 8.2779 8.2779 8.4810 8.4810 9.1536 9.1536 9.3938 9.3938 9.4271 9.4271 10.4925 10.4925 k = 0.5000 0.2887 0.0586 ( 6626 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5286 -6.5286 -6.5234 -6.5234 -4.9824 -4.9824 -4.9794 -4.9794 -4.2286 -4.2286 -4.2025 -4.2025 0.5068 0.5068 0.5146 0.5146 3.7037 3.7037 3.8133 3.8133 3.8543 3.8543 3.9429 3.9429 4.1764 4.1764 4.3173 4.3173 4.3633 4.3633 4.4103 4.4103 4.4722 4.4722 4.5370 4.5370 5.4114 5.4114 5.7530 5.7530 5.8935 5.8935 6.4593 6.4593 8.0218 8.0218 8.3006 8.3006 8.5328 8.5328 9.1608 9.1608 9.3033 9.3033 9.3968 9.3968 10.4895 10.4895 k = 0.5000 0.2887 0.0439 ( 6624 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5287 -6.5287 -6.5233 -6.5233 -4.9824 -4.9824 -4.9793 -4.9793 -4.2291 -4.2291 -4.2023 -4.2023 0.5064 0.5064 0.5144 0.5144 3.7006 3.7006 3.8127 3.8127 3.8544 3.8544 3.9450 3.9450 4.1742 4.1742 4.3160 4.3160 4.3624 4.3624 4.4123 4.4123 4.4741 4.4741 4.5438 4.5438 5.4279 5.4279 5.7720 5.7720 5.8709 5.8709 6.4302 6.4302 8.0186 8.0186 8.3190 8.3190 8.5928 8.5928 9.1189 9.1189 9.2618 9.2618 9.3722 9.3722 10.4872 10.4872 k = 0.5000 0.2887 0.0293 ( 6638 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5287 -6.5287 -6.5232 -6.5232 -4.9824 -4.9824 -4.9793 -4.9793 -4.2294 -4.2294 -4.2021 -4.2021 0.5061 0.5061 0.5143 0.5143 3.6984 3.6984 3.8123 3.8123 3.8545 3.8545 3.9465 3.9465 4.1726 4.1726 4.3152 4.3152 4.3617 4.3617 4.4137 4.4137 4.4755 4.4755 4.5486 4.5486 5.4422 5.4422 5.7776 5.7776 5.8629 5.8629 6.4066 6.4066 8.0162 8.0162 8.3323 8.3323 8.6590 8.6590 9.0386 9.0386 9.2603 9.2603 9.3535 9.3535 10.4855 10.4855 k = 0.5000 0.2887 0.0146 ( 6640 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5288 -6.5288 -6.5232 -6.5232 -4.9824 -4.9824 -4.9792 -4.9792 -4.2296 -4.2296 -4.2019 -4.2019 0.5060 0.5060 0.5142 0.5142 3.6970 3.6970 3.8121 3.8121 3.8545 3.8545 3.9473 3.9473 4.1716 4.1716 4.3146 4.3146 4.3613 4.3613 4.4146 4.4146 4.4764 4.4764 4.5516 4.5516 5.4520 5.4520 5.7741 5.7741 5.8648 5.8648 6.3910 6.3910 8.0147 8.0147 8.3403 8.3403 8.7253 8.7253 8.9586 8.9586 9.2657 9.2657 9.3413 9.3413 10.4846 10.4846 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.2905 -19.2905 -19.2893 -19.2893 -6.5288 -6.5288 -6.5232 -6.5232 -4.9824 -4.9824 -4.9792 -4.9792 -4.2296 -4.2296 -4.2019 -4.2019 0.5059 0.5059 0.5142 0.5142 3.6966 3.6966 3.8120 3.8120 3.8545 3.8545 3.9476 3.9476 4.1713 4.1713 4.3145 4.3145 4.3612 4.3612 4.4148 4.4148 4.4767 4.4767 4.5526 4.5526 5.4556 5.4556 5.7716 5.7716 5.8667 5.8667 6.3855 6.3855 8.0143 8.0143 8.3430 8.3430 8.7626 8.7626 8.9163 8.9163 9.2682 9.2682 9.3370 9.3370 10.4842 10.4842 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1991 -4.1991 0.6151 0.6151 1.0110 1.0110 3.7636 3.7636 3.7901 3.7901 3.8384 3.8384 3.9010 3.9010 4.2160 4.2160 4.2566 4.2566 4.3736 4.3736 4.4033 4.4033 4.4451 4.4451 4.4905 4.4905 6.1451 6.1451 6.2093 6.2093 6.2641 6.2641 6.4996 6.4996 6.6620 6.6620 6.8902 6.8902 7.7807 7.7807 9.7458 9.7458 9.7865 9.7865 9.8038 9.8038 10.0627 10.0627 k = 0.3333 0.5774 0.0146 ( 6615 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1991 -4.1991 0.6152 0.6152 1.0110 1.0110 3.7630 3.7630 3.7897 3.7897 3.8391 3.8391 3.9013 3.9013 4.2156 4.2156 4.2569 4.2569 4.3744 4.3744 4.4029 4.4029 4.4451 4.4451 4.4907 4.4907 6.1453 6.1453 6.2034 6.2034 6.2593 6.2593 6.4981 6.4981 6.6674 6.6674 6.8949 6.8949 7.7848 7.7848 9.7447 9.7447 9.7896 9.7896 9.8073 9.8073 10.0602 10.0602 k = 0.3333 0.5774 0.0293 ( 6636 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1991 -4.1991 0.6153 0.6153 1.0112 1.0112 3.7614 3.7614 3.7885 3.7885 3.8412 3.8412 3.9022 3.9022 4.2141 4.2141 4.2575 4.2575 4.3770 4.3770 4.4016 4.4016 4.4453 4.4453 4.4912 4.4912 6.1458 6.1458 6.1866 6.1866 6.2454 6.2454 6.4937 6.4937 6.6828 6.6828 6.9084 6.9084 7.7969 7.7969 9.7415 9.7415 9.7989 9.7989 9.8180 9.8180 10.0493 10.0493 k = 0.3333 0.5774 0.0439 ( 6621 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3653 -4.3653 -4.1990 -4.1990 0.6156 0.6156 1.0114 1.0114 3.7590 3.7590 3.7866 3.7866 3.8445 3.8445 3.9038 3.9038 4.2119 4.2119 4.2585 4.2585 4.3812 4.3812 4.3996 4.3996 4.4455 4.4455 4.4922 4.4922 6.1466 6.1466 6.1613 6.1613 6.2240 6.2240 6.4865 6.4865 6.7058 6.7058 6.9294 6.9294 7.8169 7.8169 9.7356 9.7356 9.8140 9.8140 9.8357 9.8357 10.0258 10.0258 k = 0.3333 0.5774 0.0586 ( 6627 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3814 -5.3814 -4.7301 -4.7301 -4.3652 -4.3652 -4.1990 -4.1990 0.6160 0.6160 1.0118 1.0118 3.7558 3.7558 3.7842 3.7842 3.8487 3.8487 3.9059 3.9059 4.2091 4.2091 4.2597 4.2597 4.3867 4.3867 4.3972 4.3972 4.4456 4.4456 4.4935 4.4935 6.1300 6.1300 6.1478 6.1478 6.1970 6.1970 6.4766 6.4766 6.7339 6.7339 6.9561 6.9561 7.8444 7.8444 9.7257 9.7257 9.8348 9.8348 9.8603 9.8603 9.9922 9.9922 k = 0.3333 0.5774 0.0732 ( 6615 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6834 -6.6834 -6.3534 -6.3534 -5.3815 -5.3815 -4.7301 -4.7301 -4.3652 -4.3652 -4.1989 -4.1989 0.6164 0.6164 1.0122 1.0122 3.7524 3.7524 3.7813 3.7813 3.8535 3.8535 3.9083 3.9083 4.2058 4.2058 4.2614 4.2614 4.3934 4.3934 4.3944 4.3944 4.4454 4.4454 4.4952 4.4952 6.0950 6.0950 6.1487 6.1487 6.1668 6.1668 6.4644 6.4644 6.7649 6.7649 6.9865 6.9865 7.8788 7.8788 9.7096 9.7096 9.8608 9.8608 9.8918 9.8918 9.9540 9.9540 k = 0.3333 0.5774 0.0878 ( 6609 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6835 -6.6835 -6.3534 -6.3534 -5.3816 -5.3816 -4.7301 -4.7301 -4.3651 -4.3651 -4.1988 -4.1988 0.6169 0.6169 1.0127 1.0127 3.7487 3.7487 3.7781 3.7781 3.8588 3.8588 3.9110 3.9110 4.2022 4.2022 4.2633 4.2633 4.3914 4.3914 4.4010 4.4010 4.4449 4.4449 4.4971 4.4971 6.0582 6.0582 6.1317 6.1317 6.1527 6.1527 6.4504 6.4504 6.7970 6.7970 7.0190 7.0190 7.9198 7.9198 9.6836 9.6836 9.8904 9.8904 9.9178 9.9178 9.9299 9.9299 k = 0.3333 0.5774 0.1025 ( 6621 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6835 -6.6835 -6.3534 -6.3534 -5.3816 -5.3816 -4.7301 -4.7301 -4.3651 -4.3651 -4.1986 -4.1986 0.6174 0.6174 1.0132 1.0132 3.7450 3.7450 3.7746 3.7746 3.8643 3.8643 3.9138 3.9138 4.1984 4.1984 4.2653 4.2653 4.3884 4.3884 4.4092 4.4092 4.4440 4.4440 4.4992 4.4992 6.0207 6.0207 6.0984 6.0984 6.1545 6.1545 6.4351 6.4351 6.8290 6.8290 7.0524 7.0524 7.9667 7.9667 9.6441 9.6441 9.8836 9.8836 9.9278 9.9278 9.9744 9.9744 k = 0.3333 0.5774 0.1171 ( 6630 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6835 -6.6835 -6.3534 -6.3534 -5.3817 -5.3817 -4.7301 -4.7301 -4.3650 -4.3650 -4.1985 -4.1985 0.6180 0.6180 1.0138 1.0138 3.7413 3.7413 3.7711 3.7711 3.8699 3.8699 3.9166 3.9166 4.1947 4.1947 4.2674 4.2674 4.3855 4.3855 4.4177 4.4177 4.4428 4.4428 4.5015 4.5015 5.9838 5.9838 6.0650 6.0650 6.1572 6.1572 6.4190 6.4190 6.8599 6.8599 7.0853 7.0853 8.0192 8.0192 9.5902 9.5902 9.8616 9.8616 9.9626 9.9626 10.0249 10.0249 k = 0.3333 0.5774 0.1318 ( 6630 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6835 -6.6835 -6.3535 -6.3535 -5.3817 -5.3817 -4.7301 -4.7301 -4.3650 -4.3650 -4.1984 -4.1984 0.6186 0.6186 1.0143 1.0143 3.7378 3.7378 3.7676 3.7676 3.8755 3.8755 3.9194 3.9194 4.1911 4.1911 4.2695 4.2695 4.3828 4.3828 4.4265 4.4265 4.4414 4.4414 4.5039 4.5039 5.9482 5.9482 6.0326 6.0326 6.1604 6.1604 6.4024 6.4024 6.8892 6.8892 7.1170 7.1170 8.0766 8.0766 9.5240 9.5240 9.8468 9.8468 9.9939 9.9939 10.0809 10.0809 k = 0.3333 0.5774 0.1464 ( 6639 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6836 -6.6836 -6.3535 -6.3535 -5.3818 -5.3818 -4.7301 -4.7301 -4.3649 -4.3649 -4.1983 -4.1983 0.6192 0.6192 1.0149 1.0149 3.7345 3.7345 3.7642 3.7642 3.8808 3.8808 3.9221 3.9221 4.1876 4.1876 4.2715 4.2715 4.3804 4.3804 4.4351 4.4351 4.4397 4.4397 4.5062 4.5062 5.9147 5.9147 6.0020 6.0020 6.1640 6.1640 6.3858 6.3858 6.9162 6.9162 7.1468 7.1468 8.1386 8.1386 9.4490 9.4490 9.8373 9.8373 10.0152 10.0152 10.1387 10.1387 k = 0.3333 0.5774 0.1611 ( 6633 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6836 -6.6836 -6.3535 -6.3535 -5.3819 -5.3819 -4.7301 -4.7301 -4.3648 -4.3648 -4.1981 -4.1981 0.6198 0.6198 1.0155 1.0155 3.7315 3.7315 3.7610 3.7610 3.8859 3.8859 3.9246 3.9246 4.1845 4.1845 4.2733 4.2733 4.3784 4.3784 4.4379 4.4379 4.4434 4.4434 4.5085 4.5085 5.8837 5.8837 5.9738 5.9738 6.1680 6.1680 6.3697 6.3697 6.9406 6.9406 7.1740 7.1740 8.2047 8.2047 9.3681 9.3681 9.8313 9.8313 10.0265 10.0265 10.1841 10.1841 k = 0.3333 0.5774 0.1757 ( 6618 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6836 -6.6836 -6.3535 -6.3535 -5.3819 -5.3819 -4.7301 -4.7301 -4.3648 -4.3648 -4.1980 -4.1980 0.6204 0.6204 1.0160 1.0160 3.7289 3.7289 3.7582 3.7582 3.8905 3.8905 3.9269 3.9269 4.1817 4.1817 4.2750 4.2750 4.3768 4.3768 4.4361 4.4361 4.4512 4.4512 4.5107 4.5107 5.8558 5.8558 5.9484 5.9484 6.1723 6.1723 6.3542 6.3542 6.9622 6.9622 7.1983 7.1983 8.2747 8.2747 9.2834 9.2834 9.8273 9.8273 10.0319 10.0319 10.2379 10.2379 k = 0.3333 0.5774 0.1903 ( 6618 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3820 -5.3820 -4.7301 -4.7301 -4.3647 -4.3647 -4.1979 -4.1979 0.6209 0.6209 1.0165 1.0165 3.7266 3.7266 3.7556 3.7556 3.8946 3.8946 3.9288 3.9288 4.1793 4.1793 4.2764 4.2764 4.3756 4.3756 4.4343 4.4343 4.4582 4.4582 4.5126 4.5126 5.8315 5.8315 5.9264 5.9264 6.1768 6.1768 6.3399 6.3399 6.9807 6.9807 7.2194 7.2194 8.3480 8.3480 9.1963 9.1963 9.8247 9.8247 10.0344 10.0344 10.2954 10.2954 k = 0.3333 0.5774 0.2050 ( 6627 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3647 -4.3647 -4.1978 -4.1978 0.6213 0.6213 1.0169 1.0169 3.7246 3.7246 3.7535 3.7535 3.8981 3.8981 3.9305 3.9305 4.1772 4.1772 4.2774 4.2774 4.3748 4.3748 4.4326 4.4326 4.4643 4.4643 4.5142 4.5142 5.8110 5.8110 5.9079 5.9079 6.1813 6.1813 6.3271 6.3271 6.9960 6.9960 7.2368 7.2368 8.4245 8.4245 9.1079 9.1079 9.8231 9.8231 10.0356 10.0356 10.3529 10.3529 k = 0.3333 0.5774 0.2196 ( 6633 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3647 -4.3647 -4.1978 -4.1978 0.6217 0.6217 1.0173 1.0173 3.7231 3.7231 3.7517 3.7517 3.9009 3.9009 3.9318 3.9318 4.1756 4.1756 4.2782 4.2782 4.3742 4.3742 4.4312 4.4312 4.4692 4.4692 4.5155 4.5155 5.7947 5.7947 5.8933 5.8933 6.1856 6.1856 6.3163 6.3163 7.0080 7.0080 7.2506 7.2506 8.5037 8.5037 9.0190 9.0190 9.8220 9.8220 10.0361 10.0361 10.4064 10.4064 k = 0.3333 0.5774 0.2343 ( 6621 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3646 -4.3646 -4.1977 -4.1977 0.6219 0.6219 1.0175 1.0175 3.7220 3.7220 3.7505 3.7505 3.9030 3.9030 3.9327 3.9327 4.1744 4.1744 4.2788 4.2788 4.3740 4.3740 4.4301 4.4301 4.4729 4.4729 4.5165 4.5165 5.7829 5.7829 5.8827 5.8827 6.1892 6.1892 6.3079 6.3079 7.0166 7.0166 7.2605 7.2605 8.5853 8.5853 8.9302 8.9302 9.8213 9.8213 10.0363 10.0363 10.4510 10.4510 k = 0.3333 0.5774 0.2489 ( 6612 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3646 -4.3646 -4.1977 -4.1977 0.6221 0.6221 1.0177 1.0177 3.7214 3.7214 3.7498 3.7498 3.9043 3.9043 3.9333 3.9333 4.1738 4.1738 4.2792 4.2792 4.3739 4.3739 4.4294 4.4294 4.4751 4.4751 4.5171 4.5171 5.7758 5.7758 5.8763 5.8763 6.1916 6.1916 6.3025 6.3025 7.0218 7.0218 7.2665 7.2665 8.6691 8.6691 8.8420 8.8420 9.8210 9.8210 10.0364 10.0364 10.4812 10.4812 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.2861 -19.2861 -19.2852 -19.2852 -6.6837 -6.6837 -6.3535 -6.3535 -5.3821 -5.3821 -4.7301 -4.7301 -4.3646 -4.3646 -4.1977 -4.1977 0.6221 0.6221 1.0177 1.0177 3.7212 3.7212 3.7495 3.7495 3.9047 3.9047 3.9335 3.9335 4.1735 4.1735 4.2793 4.2793 4.3739 4.3739 4.4292 4.4292 4.4759 4.4759 4.5173 4.5173 5.7734 5.7734 5.8741 5.8741 6.1925 6.1925 6.3007 6.3007 7.0235 7.0235 7.2685 7.2685 8.7511 8.7511 8.7586 8.7586 9.8209 9.8209 10.0364 10.0364 10.4919 10.4919 Writing output data file BaAgSb.save init_run : 0.37s CPU 0.53s WALL ( 1 calls) electrons : 230.32s CPU 233.06s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 230.32s CPU 233.05s 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 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.10s WALL ( 271 calls) cegterg : 212.64s CPU 214.75s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 123.88s CPU 125.19s WALL ( 6550 calls) s_psi : 10.37s CPU 10.49s WALL ( 6550 calls) g_psi : 0.34s CPU 0.39s WALL ( 5876 calls) cdiaghg : 63.09s CPU 63.77s WALL ( 6147 calls) cegterg:over : 10.31s CPU 10.32s WALL ( 5876 calls) cegterg:upda : 9.89s CPU 9.86s WALL ( 5876 calls) cegterg:last : 4.98s CPU 5.10s WALL ( 1153 calls) cdiaghg:chol : 3.67s CPU 3.68s WALL ( 6147 calls) cdiaghg:inve : 2.51s CPU 2.61s WALL ( 6147 calls) cdiaghg:para : 4.63s CPU 4.54s WALL ( 12294 calls) Called by h_psi: h_psi:vloc : 102.58s CPU 104.08s WALL ( 6550 calls) h_psi:vnl : 20.97s CPU 20.74s WALL ( 6550 calls) add_vuspsi : 11.61s CPU 11.36s WALL ( 6550 calls) General routines calbec : 9.34s CPU 9.36s WALL ( 6550 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 96.95s CPU 98.22s WALL ( 833620 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.28s WALL ( 542 calls) Parallel routines fft_scatter : 35.16s CPU 35.59s WALL ( 833643 calls) PWSCF : 4m12.14s CPU 4m24.73s WALL This run was terminated on: 18:20:16 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=