Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:15:51 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 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 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 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.8 secs Computing kpt #: 16 total cpu time spent up to now is 17.7 secs Computing kpt #: 17 total cpu time spent up to now is 18.7 secs Computing kpt #: 18 total cpu time spent up to now is 19.6 secs Computing kpt #: 19 total cpu time spent up to now is 20.7 secs Computing kpt #: 20 total cpu time spent up to now is 21.6 secs Computing kpt #: 21 total cpu time spent up to now is 22.8 secs Computing kpt #: 22 total cpu time spent up to now is 23.8 secs Computing kpt #: 23 total cpu time spent up to now is 24.9 secs Computing kpt #: 24 total cpu time spent up to now is 25.8 secs Computing kpt #: 25 total cpu time spent up to now is 26.8 secs Computing kpt #: 26 total cpu time spent up to now is 27.9 secs Computing kpt #: 27 total cpu time spent up to now is 28.9 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 total cpu time spent up to now is 30.8 secs Computing kpt #: 30 total cpu time spent up to now is 31.7 secs Computing kpt #: 31 total cpu time spent up to now is 32.6 secs Computing kpt #: 32 total cpu time spent up to now is 33.5 secs Computing kpt #: 33 total cpu time spent up to now is 34.5 secs Computing kpt #: 34 total cpu time spent up to now is 35.5 secs Computing kpt #: 35 total cpu time spent up to now is 36.4 secs Computing kpt #: 36 total cpu time spent up to now is 37.4 secs Computing kpt #: 37 total cpu time spent up to now is 38.5 secs Computing kpt #: 38 total cpu time spent up to now is 39.4 secs Computing kpt #: 39 total cpu time spent up to now is 40.3 secs Computing kpt #: 40 total cpu time spent up to now is 41.3 secs Computing kpt #: 41 total cpu time spent up to now is 42.1 secs Computing kpt #: 42 total cpu time spent up to now is 42.9 secs Computing kpt #: 43 total cpu time spent up to now is 43.7 secs Computing kpt #: 44 total cpu time spent up to now is 44.5 secs Computing kpt #: 45 total cpu time spent up to now is 45.3 secs Computing kpt #: 46 total cpu time spent up to now is 46.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.9 secs Computing kpt #: 48 total cpu time spent up to now is 47.9 secs Computing kpt #: 49 total cpu time spent up to now is 48.7 secs Computing kpt #: 50 total cpu time spent up to now is 49.6 secs Computing kpt #: 51 total cpu time spent up to now is 50.4 secs Computing kpt #: 52 total cpu time spent up to now is 51.2 secs Computing kpt #: 53 total cpu time spent up to now is 51.9 secs Computing kpt #: 54 total cpu time spent up to now is 52.7 secs Computing kpt #: 55 total cpu time spent up to now is 53.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.3 secs Computing kpt #: 57 total cpu time spent up to now is 55.0 secs Computing kpt #: 58 total cpu time spent up to now is 55.8 secs Computing kpt #: 59 total cpu time spent up to now is 56.6 secs Computing kpt #: 60 total cpu time spent up to now is 57.3 secs Computing kpt #: 61 total cpu time spent up to now is 58.0 secs Computing kpt #: 62 total cpu time spent up to now is 58.8 secs Computing kpt #: 63 total cpu time spent up to now is 59.5 secs Computing kpt #: 64 total cpu time spent up to now is 60.2 secs Computing kpt #: 65 total cpu time spent up to now is 61.0 secs Computing kpt #: 66 total cpu time spent up to now is 61.7 secs Computing kpt #: 67 total cpu time spent up to now is 62.5 secs Computing kpt #: 68 total cpu time spent up to now is 63.3 secs Computing kpt #: 69 total cpu time spent up to now is 64.0 secs Computing kpt #: 70 total cpu time spent up to now is 64.8 secs Computing kpt #: 71 total cpu time spent up to now is 65.6 secs Computing kpt #: 72 total cpu time spent up to now is 66.3 secs Computing kpt #: 73 total cpu time spent up to now is 67.0 secs Computing kpt #: 74 total cpu time spent up to now is 67.7 secs Computing kpt #: 75 total cpu time spent up to now is 68.5 secs Computing kpt #: 76 total cpu time spent up to now is 69.2 secs Computing kpt #: 77 total cpu time spent up to now is 69.9 secs Computing kpt #: 78 total cpu time spent up to now is 70.6 secs Computing kpt #: 79 total cpu time spent up to now is 71.3 secs Computing kpt #: 80 total cpu time spent up to now is 72.1 secs Computing kpt #: 81 total cpu time spent up to now is 72.9 secs Computing kpt #: 82 total cpu time spent up to now is 74.3 secs Computing kpt #: 83 total cpu time spent up to now is 75.1 secs Computing kpt #: 84 total cpu time spent up to now is 75.9 secs Computing kpt #: 85 total cpu time spent up to now is 76.7 secs Computing kpt #: 86 total cpu time spent up to now is 77.5 secs Computing kpt #: 87 total cpu time spent up to now is 78.3 secs Computing kpt #: 88 total cpu time spent up to now is 79.1 secs Computing kpt #: 89 total cpu time spent up to now is 80.2 secs Computing kpt #: 90 total cpu time spent up to now is 81.2 secs Computing kpt #: 91 total cpu time spent up to now is 82.2 secs Computing kpt #: 92 total cpu time spent up to now is 83.2 secs Computing kpt #: 93 total cpu time spent up to now is 84.2 secs Computing kpt #: 94 total cpu time spent up to now is 85.2 secs Computing kpt #: 95 total cpu time spent up to now is 86.4 secs Computing kpt #: 96 total cpu time spent up to now is 87.5 secs Computing kpt #: 97 total cpu time spent up to now is 88.7 secs Computing kpt #: 98 total cpu time spent up to now is 89.9 secs Computing kpt #: 99 total cpu time spent up to now is 90.9 secs Computing kpt #: 100 total cpu time spent up to now is 92.1 secs Computing kpt #: 101 total cpu time spent up to now is 93.0 secs Computing kpt #: 102 total cpu time spent up to now is 94.0 secs Computing kpt #: 103 total cpu time spent up to now is 95.0 secs Computing kpt #: 104 total cpu time spent up to now is 95.8 secs Computing kpt #: 105 total cpu time spent up to now is 96.7 secs Computing kpt #: 106 total cpu time spent up to now is 97.5 secs Computing kpt #: 107 total cpu time spent up to now is 98.3 secs Computing kpt #: 108 total cpu time spent up to now is 99.1 secs Computing kpt #: 109 total cpu time spent up to now is 99.9 secs Computing kpt #: 110 total cpu time spent up to now is 100.7 secs Computing kpt #: 111 total cpu time spent up to now is 101.5 secs Computing kpt #: 112 total cpu time spent up to now is 102.3 secs Computing kpt #: 113 total cpu time spent up to now is 103.2 secs Computing kpt #: 114 total cpu time spent up to now is 104.1 secs Computing kpt #: 115 total cpu time spent up to now is 105.0 secs Computing kpt #: 116 total cpu time spent up to now is 106.0 secs Computing kpt #: 117 total cpu time spent up to now is 107.0 secs Computing kpt #: 118 total cpu time spent up to now is 107.9 secs Computing kpt #: 119 total cpu time spent up to now is 108.9 secs Computing kpt #: 120 total cpu time spent up to now is 109.8 secs Computing kpt #: 121 total cpu time spent up to now is 110.7 secs Computing kpt #: 122 total cpu time spent up to now is 111.6 secs Computing kpt #: 123 total cpu time spent up to now is 112.5 secs Computing kpt #: 124 total cpu time spent up to now is 113.5 secs Computing kpt #: 125 total cpu time spent up to now is 114.6 secs Computing kpt #: 126 total cpu time spent up to now is 115.7 secs Computing kpt #: 127 total cpu time spent up to now is 116.9 secs Computing kpt #: 128 total cpu time spent up to now is 118.0 secs Computing kpt #: 129 total cpu time spent up to now is 119.1 secs Computing kpt #: 130 total cpu time spent up to now is 119.9 secs Computing kpt #: 131 total cpu time spent up to now is 120.8 secs Computing kpt #: 132 total cpu time spent up to now is 121.7 secs Computing kpt #: 133 total cpu time spent up to now is 122.6 secs Computing kpt #: 134 total cpu time spent up to now is 123.5 secs Computing kpt #: 135 total cpu time spent up to now is 124.4 secs Computing kpt #: 136 total cpu time spent up to now is 125.3 secs Computing kpt #: 137 total cpu time spent up to now is 126.3 secs Computing kpt #: 138 total cpu time spent up to now is 127.5 secs Computing kpt #: 139 total cpu time spent up to now is 128.4 secs Computing kpt #: 140 total cpu time spent up to now is 129.2 secs Computing kpt #: 141 total cpu time spent up to now is 130.1 secs Computing kpt #: 142 total cpu time spent up to now is 131.0 secs Computing kpt #: 143 total cpu time spent up to now is 131.9 secs Computing kpt #: 144 total cpu time spent up to now is 132.7 secs Computing kpt #: 145 total cpu time spent up to now is 133.6 secs Computing kpt #: 146 total cpu time spent up to now is 134.4 secs Computing kpt #: 147 total cpu time spent up to now is 135.3 secs Computing kpt #: 148 total cpu time spent up to now is 136.1 secs Computing kpt #: 149 total cpu time spent up to now is 137.0 secs Computing kpt #: 150 total cpu time spent up to now is 137.8 secs Computing kpt #: 151 total cpu time spent up to now is 138.6 secs Computing kpt #: 152 total cpu time spent up to now is 139.4 secs Computing kpt #: 153 total cpu time spent up to now is 140.3 secs Computing kpt #: 154 total cpu time spent up to now is 141.2 secs Computing kpt #: 155 total cpu time spent up to now is 142.0 secs Computing kpt #: 156 total cpu time spent up to now is 142.9 secs Computing kpt #: 157 total cpu time spent up to now is 143.7 secs Computing kpt #: 158 total cpu time spent up to now is 144.5 secs Computing kpt #: 159 total cpu time spent up to now is 145.4 secs Computing kpt #: 160 total cpu time spent up to now is 146.2 secs Computing kpt #: 161 total cpu time spent up to now is 147.1 secs Computing kpt #: 162 total cpu time spent up to now is 147.9 secs Computing kpt #: 163 total cpu time spent up to now is 148.8 secs Computing kpt #: 164 total cpu time spent up to now is 149.8 secs Computing kpt #: 165 total cpu time spent up to now is 150.7 secs Computing kpt #: 166 total cpu time spent up to now is 151.7 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.0 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.3 secs Computing kpt #: 169 total cpu time spent up to now is 157.3 secs Computing kpt #: 170 total cpu time spent up to now is 158.5 secs Computing kpt #: 171 total cpu time spent up to now is 159.5 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 173 total cpu time spent up to now is 163.1 secs Computing kpt #: 174 total cpu time spent up to now is 164.6 secs Computing kpt #: 175 total cpu time spent up to now is 166.1 secs Computing kpt #: 176 total cpu time spent up to now is 167.1 secs Computing kpt #: 177 total cpu time spent up to now is 168.0 secs Computing kpt #: 178 total cpu time spent up to now is 169.0 secs Computing kpt #: 179 total cpu time spent up to now is 169.9 secs Computing kpt #: 180 total cpu time spent up to now is 170.9 secs Computing kpt #: 181 total cpu time spent up to now is 171.8 secs Computing kpt #: 182 total cpu time spent up to now is 173.0 secs Computing kpt #: 183 total cpu time spent up to now is 174.0 secs Computing kpt #: 184 total cpu time spent up to now is 174.9 secs Computing kpt #: 185 total cpu time spent up to now is 175.9 secs Computing kpt #: 186 total cpu time spent up to now is 176.8 secs Computing kpt #: 187 total cpu time spent up to now is 177.6 secs Computing kpt #: 188 total cpu time spent up to now is 178.5 secs Computing kpt #: 189 total cpu time spent up to now is 179.3 secs Computing kpt #: 190 total cpu time spent up to now is 180.2 secs Computing kpt #: 191 total cpu time spent up to now is 181.0 secs Computing kpt #: 192 total cpu time spent up to now is 181.9 secs Computing kpt #: 193 total cpu time spent up to now is 182.7 secs Computing kpt #: 194 total cpu time spent up to now is 183.6 secs Computing kpt #: 195 total cpu time spent up to now is 184.6 secs Computing kpt #: 196 total cpu time spent up to now is 185.5 secs Computing kpt #: 197 total cpu time spent up to now is 186.5 secs Computing kpt #: 198 total cpu time spent up to now is 187.5 secs Computing kpt #: 199 total cpu time spent up to now is 188.4 secs Computing kpt #: 200 total cpu time spent up to now is 189.4 secs Computing kpt #: 201 total cpu time spent up to now is 190.4 secs Computing kpt #: 202 total cpu time spent up to now is 191.3 secs Computing kpt #: 203 total cpu time spent up to now is 192.2 secs Computing kpt #: 204 total cpu time spent up to now is 193.2 secs Computing kpt #: 205 total cpu time spent up to now is 194.1 secs Computing kpt #: 206 total cpu time spent up to now is 195.0 secs Computing kpt #: 207 total cpu time spent up to now is 195.9 secs Computing kpt #: 208 total cpu time spent up to now is 196.8 secs Computing kpt #: 209 total cpu time spent up to now is 197.7 secs Computing kpt #: 210 total cpu time spent up to now is 198.6 secs Computing kpt #: 211 total cpu time spent up to now is 199.5 secs Computing kpt #: 212 total cpu time spent up to now is 200.4 secs Computing kpt #: 213 total cpu time spent up to now is 201.3 secs Computing kpt #: 214 total cpu time spent up to now is 202.2 secs Computing kpt #: 215 total cpu time spent up to now is 203.1 secs Computing kpt #: 216 total cpu time spent up to now is 203.9 secs Computing kpt #: 217 total cpu time spent up to now is 204.8 secs Computing kpt #: 218 total cpu time spent up to now is 205.7 secs Computing kpt #: 219 total cpu time spent up to now is 206.6 secs Computing kpt #: 220 total cpu time spent up to now is 207.5 secs Computing kpt #: 221 total cpu time spent up to now is 208.3 secs Computing kpt #: 222 total cpu time spent up to now is 209.1 secs Computing kpt #: 223 total cpu time spent up to now is 209.9 secs Computing kpt #: 224 total cpu time spent up to now is 211.1 secs Computing kpt #: 225 total cpu time spent up to now is 212.0 secs Computing kpt #: 226 total cpu time spent up to now is 212.9 secs Computing kpt #: 227 total cpu time spent up to now is 214.1 secs Computing kpt #: 228 total cpu time spent up to now is 215.4 secs Computing kpt #: 229 total cpu time spent up to now is 216.6 secs Computing kpt #: 230 total cpu time spent up to now is 217.8 secs Computing kpt #: 231 total cpu time spent up to now is 218.7 secs Computing kpt #: 232 total cpu time spent up to now is 219.9 secs Computing kpt #: 233 total cpu time spent up to now is 221.0 secs Computing kpt #: 234 total cpu time spent up to now is 221.9 secs Computing kpt #: 235 total cpu time spent up to now is 223.2 secs Computing kpt #: 236 total cpu time spent up to now is 224.2 secs Computing kpt #: 237 total cpu time spent up to now is 225.2 secs Computing kpt #: 238 total cpu time spent up to now is 226.1 secs Computing kpt #: 239 total cpu time spent up to now is 227.1 secs Computing kpt #: 240 total cpu time spent up to now is 227.9 secs Computing kpt #: 241 total cpu time spent up to now is 228.9 secs Computing kpt #: 242 total cpu time spent up to now is 229.8 secs Computing kpt #: 243 total cpu time spent up to now is 230.6 secs Computing kpt #: 244 total cpu time spent up to now is 231.5 secs Computing kpt #: 245 total cpu time spent up to now is 232.3 secs Computing kpt #: 246 total cpu time spent up to now is 233.3 secs Computing kpt #: 247 total cpu time spent up to now is 234.2 secs Computing kpt #: 248 total cpu time spent up to now is 235.1 secs Computing kpt #: 249 total cpu time spent up to now is 236.1 secs Computing kpt #: 250 total cpu time spent up to now is 237.0 secs Computing kpt #: 251 total cpu time spent up to now is 237.9 secs Computing kpt #: 252 total cpu time spent up to now is 238.9 secs Computing kpt #: 253 total cpu time spent up to now is 239.6 secs Computing kpt #: 254 total cpu time spent up to now is 240.3 secs Computing kpt #: 255 total cpu time spent up to now is 241.0 secs Computing kpt #: 256 total cpu time spent up to now is 241.8 secs Computing kpt #: 257 total cpu time spent up to now is 242.5 secs Computing kpt #: 258 total cpu time spent up to now is 243.3 secs Computing kpt #: 259 total cpu time spent up to now is 244.0 secs Computing kpt #: 260 total cpu time spent up to now is 244.8 secs Computing kpt #: 261 total cpu time spent up to now is 245.5 secs Computing kpt #: 262 total cpu time spent up to now is 246.3 secs Computing kpt #: 263 total cpu time spent up to now is 247.1 secs Computing kpt #: 264 total cpu time spent up to now is 247.8 secs Computing kpt #: 265 total cpu time spent up to now is 248.6 secs Computing kpt #: 266 total cpu time spent up to now is 249.4 secs Computing kpt #: 267 total cpu time spent up to now is 250.2 secs Computing kpt #: 268 total cpu time spent up to now is 251.0 secs Computing kpt #: 269 total cpu time spent up to now is 251.8 secs Computing kpt #: 270 total cpu time spent up to now is 252.6 secs Computing kpt #: 271 total cpu time spent up to now is 253.6 secs ethr = 1.92E-08, avg # of iterations = 25.2 total cpu time spent up to now is 253.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1885 -6.1885 -6.0983 -6.0983 -4.3817 -4.3817 -4.0825 -4.0825 -4.0623 -4.0623 -4.0259 -4.0259 -1.0709 -1.0709 -0.3604 -0.3604 2.9950 2.9950 3.1097 3.1097 3.3186 3.3186 3.4490 3.4490 3.4963 3.4963 3.6363 3.6363 3.9324 3.9324 4.0320 4.0320 4.0564 4.0564 4.2788 4.2788 5.3003 5.3003 7.7667 7.7667 7.8188 7.8188 7.9959 7.9959 8.6986 8.6986 8.9695 8.9695 9.1923 9.1923 9.3882 9.3882 9.4270 9.4270 10.1397 10.1397 10.1861 10.1861 k = 0.0132 0.0076-0.0000 ( 6551 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1885 -6.1885 -6.0984 -6.0984 -4.3816 -4.3816 -4.0826 -4.0826 -4.0627 -4.0627 -4.0261 -4.0261 -1.0695 -1.0695 -0.3607 -0.3607 2.9956 2.9956 3.1098 3.1098 3.3193 3.3193 3.4489 3.4489 3.4967 3.4967 3.6361 3.6361 3.9325 3.9325 4.0320 4.0320 4.0561 4.0561 4.2787 4.2787 5.3034 5.3034 7.7645 7.7645 7.8123 7.8123 7.9886 7.9886 8.6731 8.6731 8.9250 8.9250 9.2425 9.2425 9.3993 9.3993 9.4296 9.4296 10.1544 10.1544 10.1978 10.1978 k = 0.0263 0.0152-0.0000 ( 6559 PWs) bands (ev): -19.4839 -19.4839 -19.4715 -19.4715 -6.1885 -6.1885 -6.0988 -6.0988 -4.3812 -4.3812 -4.0830 -4.0830 -4.0640 -4.0640 -4.0269 -4.0269 -1.0653 -1.0653 -0.3616 -0.3616 2.9975 2.9975 3.1099 3.1099 3.3212 3.3212 3.4485 3.4485 3.4978 3.4978 3.6354 3.6354 3.9328 3.9328 4.0319 4.0319 4.0551 4.0551 4.2782 4.2782 5.3127 5.3127 7.7578 7.7578 7.7911 7.7911 7.9698 7.9698 8.5979 8.5979 8.8496 8.8496 9.3283 9.3283 9.4310 9.4310 9.4435 9.4435 10.1966 10.1966 10.2337 10.2337 k = 0.0395 0.0228-0.0000 ( 6567 PWs) bands (ev): -19.4838 -19.4838 -19.4714 -19.4714 -6.1886 -6.1886 -6.0994 -6.0994 -4.3806 -4.3806 -4.0836 -4.0836 -4.0660 -4.0660 -4.0282 -4.0282 -1.0582 -1.0582 -0.3631 -0.3631 3.0007 3.0007 3.1101 3.1101 3.3244 3.3244 3.4479 3.4479 3.4995 3.4995 3.6342 3.6342 3.9332 3.9332 4.0316 4.0316 4.0538 4.0538 4.2775 4.2775 5.3281 5.3281 7.7446 7.7446 7.7531 7.7531 7.9468 7.9468 8.4852 8.4852 8.7771 8.7771 9.3838 9.3838 9.4598 9.4598 9.5125 9.5125 10.2581 10.2581 10.2984 10.2984 k = 0.0526 0.0304-0.0000 ( 6567 PWs) bands (ev): -19.4837 -19.4837 -19.4713 -19.4713 -6.1887 -6.1887 -6.1003 -6.1003 -4.3797 -4.3797 -4.0847 -4.0847 -4.0685 -4.0685 -4.0301 -4.0301 -1.0485 -1.0485 -0.3653 -0.3653 3.0051 3.0051 3.1105 3.1105 3.3288 3.3288 3.4473 3.4473 3.5018 3.5018 3.6327 3.6327 3.9338 3.9338 4.0309 4.0309 4.0524 4.0524 4.2766 4.2766 5.3493 5.3493 7.6895 7.6895 7.7317 7.7317 7.9256 7.9256 8.3531 8.3531 8.7047 8.7047 9.4037 9.4037 9.4967 9.4967 9.6170 9.6170 10.3293 10.3293 10.3956 10.3956 k = 0.0658 0.0380-0.0000 ( 6571 PWs) bands (ev): -19.4835 -19.4835 -19.4711 -19.4711 -6.1888 -6.1888 -6.1014 -6.1014 -4.3786 -4.3786 -4.0865 -4.0865 -4.0712 -4.0712 -4.0324 -4.0324 -1.0361 -1.0361 -0.3679 -0.3679 3.0108 3.0108 3.1108 3.1108 3.3345 3.3345 3.4466 3.4466 3.5047 3.5047 3.6307 3.6307 3.9346 3.9346 4.0292 4.0292 4.0515 4.0515 4.2755 4.2755 5.3762 5.3762 7.6112 7.6112 7.7099 7.7099 7.9075 7.9075 8.2142 8.2142 8.6291 8.6291 9.4121 9.4121 9.5362 9.5362 9.7335 9.7335 10.4094 10.4094 10.5181 10.5181 k = 0.0789 0.0456-0.0000 ( 6569 PWs) bands (ev): -19.4833 -19.4833 -19.4710 -19.4710 -6.1890 -6.1890 -6.1028 -6.1028 -4.3773 -4.3773 -4.0895 -4.0895 -4.0737 -4.0737 -4.0352 -4.0352 -1.0211 -1.0211 -0.3711 -0.3711 3.0176 3.0176 3.1114 3.1114 3.3412 3.3412 3.4461 3.4461 3.5080 3.5080 3.6284 3.6284 3.9355 3.9355 4.0264 4.0264 4.0514 4.0514 4.2742 4.2742 5.4084 5.4084 7.5194 7.5194 7.6806 7.6806 7.8911 7.8911 8.0769 8.0769 8.5497 8.5497 9.4170 9.4170 9.5741 9.5741 9.8568 9.8568 10.4978 10.4978 10.6580 10.6580 k = 0.0921 0.0532-0.0000 ( 6567 PWs) bands (ev): -19.4831 -19.4831 -19.4707 -19.4707 -6.1892 -6.1892 -6.1044 -6.1044 -4.3758 -4.3758 -4.0939 -4.0939 -4.0757 -4.0757 -4.0384 -4.0384 -1.0036 -1.0036 -0.3748 -0.3748 3.0256 3.0256 3.1120 3.1120 3.3489 3.3489 3.4457 3.4457 3.5118 3.5118 3.6259 3.6259 3.9365 3.9365 4.0224 4.0224 4.0523 4.0523 4.2729 4.2729 5.4458 5.4458 7.4179 7.4179 7.6390 7.6390 7.8745 7.8745 7.9493 7.9493 8.4676 8.4676 9.4200 9.4200 9.6102 9.6102 9.9852 9.9852 10.5923 10.5923 10.6743 10.6743 k = 0.1053 0.0608-0.0000 ( 6589 PWs) bands (ev): -19.4828 -19.4828 -19.4705 -19.4705 -6.1894 -6.1894 -6.1062 -6.1062 -4.3740 -4.3740 -4.0996 -4.0996 -4.0770 -4.0770 -4.0421 -4.0421 -0.9838 -0.9838 -0.3789 -0.3789 3.0347 3.0347 3.1127 3.1127 3.3575 3.3575 3.4457 3.4457 3.5159 3.5159 3.6231 3.6231 3.9375 3.9375 4.0175 4.0175 4.0539 4.0539 4.2716 4.2716 5.4878 5.4878 7.3092 7.3092 7.5766 7.5766 7.8380 7.8380 7.8609 7.8609 8.3839 8.3839 9.4214 9.4214 9.6452 9.6452 10.1173 10.1173 10.6195 10.6195 10.6944 10.6944 k = 0.1184 0.0684-0.0000 ( 6595 PWs) bands (ev): -19.4825 -19.4825 -19.4702 -19.4702 -6.1897 -6.1897 -6.1082 -6.1082 -4.3720 -4.3720 -4.1064 -4.1064 -4.0780 -4.0780 -4.0461 -4.0461 -0.9619 -0.9619 -0.3833 -0.3833 3.0448 3.0448 3.1137 3.1137 3.3668 3.3668 3.4460 3.4460 3.5204 3.5204 3.6204 3.6204 3.9386 3.9386 4.0121 4.0121 4.0562 4.0562 4.2702 4.2702 5.5343 5.5343 7.1949 7.1949 7.4867 7.4867 7.7608 7.7608 7.8401 7.8401 8.2999 8.2999 9.4207 9.4207 9.6804 9.6804 10.2514 10.2514 10.5627 10.5627 10.7967 10.7967 k = 0.1316 0.0760-0.0000 ( 6591 PWs) bands (ev): -19.4821 -19.4821 -19.4699 -19.4699 -6.1900 -6.1900 -6.1104 -6.1104 -4.3699 -4.3699 -4.1141 -4.1141 -4.0788 -4.0788 -4.0505 -4.0505 -0.9379 -0.9379 -0.3880 -0.3880 3.0559 3.0559 3.1148 3.1148 3.3768 3.3768 3.4468 3.4468 3.5252 3.5252 3.6178 3.6178 3.9397 3.9397 4.0064 4.0064 4.0590 4.0590 4.2689 4.2689 5.5849 5.5849 7.0759 7.0759 7.3756 7.3756 7.7054 7.7054 7.8188 7.8188 8.2169 8.2169 9.4178 9.4178 9.7164 9.7164 10.3840 10.3840 10.5036 10.5036 10.9013 10.9013 k = 0.1447 0.0836-0.0000 ( 6597 PWs) bands (ev): -19.4817 -19.4817 -19.4695 -19.4695 -6.1903 -6.1903 -6.1128 -6.1128 -4.3676 -4.3676 -4.1225 -4.1225 -4.0794 -4.0794 -4.0551 -4.0551 -0.9120 -0.9120 -0.3929 -0.3929 3.0678 3.0678 3.1162 3.1162 3.3871 3.3871 3.4480 3.4480 3.5304 3.5304 3.6154 3.6154 3.9406 3.9406 4.0007 4.0007 4.0622 4.0622 4.2675 4.2675 5.6392 5.6392 6.9532 6.9532 7.2553 7.2553 7.6621 7.6621 7.7947 7.7947 8.1364 8.1364 9.4122 9.4122 9.7539 9.7539 10.4285 10.4285 10.5283 10.5283 11.0058 11.0058 k = 0.1579 0.0912-0.0000 ( 6607 PWs) bands (ev): -19.4813 -19.4813 -19.4692 -19.4692 -6.1907 -6.1907 -6.1154 -6.1154 -4.3651 -4.3651 -4.1315 -4.1315 -4.0799 -4.0799 -4.0600 -4.0600 -0.8845 -0.8845 -0.3980 -0.3980 3.0806 3.0806 3.1180 3.1180 3.3977 3.3977 3.4499 3.4499 3.5358 3.5358 3.6135 3.6135 3.9413 3.9413 3.9952 3.9952 4.0656 4.0656 4.2662 4.2662 5.6969 5.6969 6.8274 6.8274 7.1333 7.1333 7.6239 7.6239 7.7669 7.7669 8.0599 8.0599 9.4037 9.4037 9.7935 9.7935 10.3654 10.3654 10.6547 10.6547 11.1023 11.1023 k = 0.1711 0.0988-0.0000 ( 6595 PWs) bands (ev): -19.4809 -19.4809 -19.4688 -19.4688 -6.1912 -6.1912 -6.1181 -6.1181 -4.3626 -4.3626 -4.1408 -4.1408 -4.0805 -4.0805 -4.0651 -4.0651 -0.8556 -0.8556 -0.4030 -0.4030 3.0938 3.0938 3.1204 3.1204 3.4080 3.4080 3.4524 3.4524 3.5415 3.5415 3.6123 3.6123 3.9418 3.9418 3.9901 3.9901 4.0692 4.0692 4.2649 4.2649 5.7576 5.7576 6.6994 6.6994 7.0129 7.0129 7.5871 7.5871 7.7347 7.7347 7.9892 7.9892 9.3919 9.3919 9.8353 9.8353 10.2982 10.2982 10.7770 10.7770 11.1576 11.1576 k = 0.1842 0.1064-0.0000 ( 6595 PWs) bands (ev): -19.4805 -19.4805 -19.4684 -19.4684 -6.1916 -6.1916 -6.1209 -6.1209 -4.3599 -4.3599 -4.1505 -4.1505 -4.0810 -4.0810 -4.0703 -4.0703 -0.8255 -0.8255 -0.4080 -0.4080 3.1069 3.1069 3.1241 3.1241 3.4179 3.4179 3.4558 3.4558 3.5474 3.5474 3.6121 3.6121 3.9417 3.9417 3.9856 3.9856 4.0730 4.0730 4.2636 4.2636 5.8210 5.8210 6.5701 6.5701 6.8955 6.8955 7.5495 7.5495 7.6975 7.6975 7.9261 7.9261 9.3768 9.3768 9.8795 9.8795 10.2301 10.2301 10.8892 10.8892 11.2049 11.2049 k = 0.1974 0.1140-0.0000 ( 6605 PWs) bands (ev): -19.4800 -19.4800 -19.4680 -19.4680 -6.1921 -6.1921 -6.1239 -6.1239 -4.3571 -4.3571 -4.1604 -4.1604 -4.0818 -4.0818 -4.0754 -4.0754 -0.7945 -0.7945 -0.4127 -0.4127 3.1174 3.1174 3.1313 3.1313 3.4267 3.4267 3.4600 3.4600 3.5533 3.5533 3.6132 3.6132 3.9411 3.9411 3.9819 3.9819 4.0769 4.0769 4.2623 4.2623 5.8865 5.8865 6.4406 6.4406 6.7815 6.7815 7.5089 7.5089 7.6564 7.6564 7.8714 7.8714 9.3582 9.3582 9.9261 9.9261 10.1619 10.1619 10.9876 10.9876 11.2540 11.2540 k = 0.2105 0.1215-0.0000 ( 6609 PWs) bands (ev): -19.4795 -19.4795 -19.4675 -19.4675 -6.1927 -6.1927 -6.1269 -6.1269 -4.3543 -4.3543 -4.1705 -4.1705 -4.0838 -4.0838 -4.0793 -4.0793 -0.7629 -0.7629 -0.4170 -0.4170 3.1237 3.1237 3.1439 3.1439 3.4342 3.4342 3.4652 3.4652 3.5593 3.5593 3.6160 3.6160 3.9397 3.9397 3.9792 3.9792 4.0808 4.0808 4.2610 4.2610 5.9533 5.9533 6.3124 6.3124 6.6711 6.6711 7.4636 7.4636 7.6139 7.6139 7.8248 7.8248 9.3363 9.3363 9.9752 9.9752 10.0942 10.0942 11.0704 11.0704 11.3053 11.3053 k = 0.2237 0.1291-0.0000 ( 6605 PWs) bands (ev): -19.4790 -19.4790 -19.4671 -19.4671 -6.1933 -6.1933 -6.1300 -6.1300 -4.3514 -4.3514 -4.1806 -4.1806 -4.0882 -4.0882 -4.0809 -4.0809 -0.7310 -0.7310 -0.4207 -0.4207 3.1286 3.1286 3.1590 3.1590 3.4403 3.4403 3.4711 3.4711 3.5653 3.5653 3.6208 3.6208 3.9377 3.9377 3.9775 3.9775 4.0847 4.0847 4.2597 4.2597 6.0181 6.0181 6.1890 6.1890 6.5641 6.5641 7.4120 7.4120 7.5735 7.5735 7.7846 7.7846 9.3112 9.3112 10.0239 10.0239 10.0299 10.0299 11.1382 11.1382 11.3585 11.3585 k = 0.2368 0.1367-0.0000 ( 6615 PWs) bands (ev): -19.4785 -19.4785 -19.4667 -19.4667 -6.1939 -6.1939 -6.1332 -6.1332 -4.3485 -4.3485 -4.1907 -4.1907 -4.0934 -4.0934 -4.0815 -4.0815 -0.6994 -0.6994 -0.4235 -0.4235 3.1336 3.1336 3.1751 3.1751 3.4450 3.4450 3.4773 3.4773 3.5712 3.5712 3.6278 3.6278 3.9351 3.9351 3.9767 3.9767 4.0886 4.0886 4.2583 4.2583 6.0301 6.0301 6.1214 6.1214 6.4607 6.4607 7.3546 7.3546 7.5370 7.5370 7.7489 7.7489 9.2832 9.2832 9.9608 9.9608 10.0806 10.0806 11.1942 11.1942 11.4133 11.4133 k = 0.2500 0.1443-0.0000 ( 6615 PWs) bands (ev): -19.4781 -19.4781 -19.4662 -19.4662 -6.1945 -6.1945 -6.1364 -6.1364 -4.3457 -4.3457 -4.2007 -4.2007 -4.0987 -4.0987 -4.0820 -4.0820 -0.6686 -0.6686 -0.4250 -0.4250 3.1392 3.1392 3.1916 3.1916 3.4487 3.4487 3.4833 3.4833 3.5773 3.5773 3.6370 3.6370 3.9321 3.9321 3.9767 3.9767 4.0923 4.0923 4.2569 4.2569 5.9222 5.9222 6.1761 6.1761 6.3616 6.3616 7.2929 7.2929 7.5048 7.5048 7.7163 7.7163 9.2528 9.2528 9.8957 9.8957 10.1363 10.1363 11.2426 11.2426 11.4693 11.4693 k = 0.2632 0.1519-0.0000 ( 6615 PWs) bands (ev): -19.4776 -19.4776 -19.4658 -19.4658 -6.1952 -6.1952 -6.1396 -6.1396 -4.3429 -4.3429 -4.2105 -4.2105 -4.1040 -4.1040 -4.0823 -4.0823 -0.6393 -0.6393 -0.4247 -0.4247 3.1457 3.1457 3.2083 3.2083 3.4515 3.4515 3.4888 3.4888 3.5838 3.5838 3.6481 3.6481 3.9289 3.9289 3.9772 3.9772 4.0958 4.0958 4.2553 4.2553 5.8035 5.8035 6.2290 6.2290 6.2818 6.2818 7.2290 7.2290 7.4762 7.4762 7.6859 7.6859 9.2205 9.2205 9.8317 9.8317 10.1940 10.1940 11.2876 11.2876 11.5258 11.5258 k = 0.2763 0.1595-0.0000 ( 6617 PWs) bands (ev): -19.4771 -19.4771 -19.4653 -19.4653 -6.1959 -6.1959 -6.1428 -6.1428 -4.3402 -4.3402 -4.2201 -4.2201 -4.1092 -4.1092 -4.0826 -4.0826 -0.6126 -0.6126 -0.4217 -0.4217 3.1531 3.1531 3.2251 3.2251 3.4536 3.4536 3.4935 3.4935 3.5907 3.5907 3.6609 3.6609 3.9259 3.9259 3.9780 3.9780 4.0991 4.0991 4.2536 4.2536 5.6866 5.6866 6.1615 6.1615 6.3273 6.3273 7.1646 7.1646 7.4506 7.4506 7.6572 7.6572 9.1867 9.1867 9.7687 9.7687 10.2533 10.2533 11.3322 11.3322 11.5821 11.5821 k = 0.2895 0.1671-0.0000 ( 6617 PWs) bands (ev): -19.4766 -19.4766 -19.4649 -19.4649 -6.1967 -6.1967 -6.1459 -6.1459 -4.3377 -4.3377 -4.2293 -4.2293 -4.1141 -4.1141 -4.0829 -4.0829 -0.5894 -0.5894 -0.4152 -0.4152 3.1616 3.1616 3.2417 3.2417 3.4552 3.4552 3.4976 3.4976 3.5982 3.5982 3.6751 3.6751 3.9230 3.9230 3.9791 3.9791 4.1021 4.1021 4.2518 4.2518 5.5728 5.5728 6.0723 6.0723 6.3977 6.3977 7.1011 7.1011 7.4274 7.4274 7.6302 7.6302 9.1520 9.1520 9.7068 9.7068 10.3140 10.3140 11.3786 11.3786 11.6374 11.6374 k = 0.3026 0.1747-0.0000 ( 6613 PWs) bands (ev): -19.4761 -19.4761 -19.4645 -19.4645 -6.1974 -6.1974 -6.1490 -6.1490 -4.3353 -4.3353 -4.2383 -4.2383 -4.1189 -4.1189 -4.0832 -4.0832 -0.5709 -0.5709 -0.4043 -0.4043 3.1714 3.1714 3.2580 3.2580 3.4563 3.4563 3.5009 3.5009 3.6062 3.6062 3.6904 3.6904 3.9204 3.9204 3.9803 3.9803 4.1047 4.1047 4.2498 4.2498 5.4629 5.4629 5.9852 5.9852 6.4685 6.4685 7.0396 7.0396 7.4063 7.4063 7.6050 7.6050 9.1170 9.1170 9.6460 9.6460 10.3758 10.3758 11.4281 11.4281 11.6907 11.6907 k = 0.3158 0.1823-0.0000 ( 6617 PWs) bands (ev): -19.4756 -19.4756 -19.4641 -19.4641 -6.1981 -6.1981 -6.1520 -6.1520 -4.3331 -4.3331 -4.2468 -4.2468 -4.1233 -4.1233 -4.0835 -4.0835 -0.5573 -0.5573 -0.3890 -0.3890 3.1823 3.1823 3.2738 3.2738 3.4573 3.4573 3.5035 3.5035 3.6145 3.6145 3.7065 3.7065 3.9183 3.9183 3.9815 3.9815 4.1069 4.1069 4.2475 4.2475 5.3572 5.3572 5.9013 5.9013 6.5374 6.5374 6.9811 6.9811 7.3871 7.3871 7.5816 7.5816 9.0821 9.0821 9.5861 9.5861 10.4383 10.4383 11.4813 11.4813 11.7409 11.7409 k = 0.3289 0.1899-0.0000 ( 6623 PWs) bands (ev): -19.4752 -19.4752 -19.4637 -19.4637 -6.1989 -6.1989 -6.1549 -6.1549 -4.3312 -4.3312 -4.2548 -4.2548 -4.1275 -4.1275 -4.0837 -4.0837 -0.5483 -0.5483 -0.3698 -0.3698 3.1945 3.1945 3.2890 3.2890 3.4582 3.4582 3.5054 3.5054 3.6232 3.6232 3.7232 3.7232 3.9166 3.9166 3.9828 3.9828 4.1084 4.1084 4.2450 4.2450 5.2562 5.2562 5.8210 5.8210 6.6024 6.6024 6.9272 6.9272 7.3697 7.3697 7.5607 7.5607 9.0479 9.0479 9.5273 9.5273 10.5012 10.5012 11.5386 11.5386 11.7868 11.7868 k = 0.3421 0.1975-0.0000 ( 6615 PWs) bands (ev): -19.4748 -19.4748 -19.4633 -19.4633 -6.1996 -6.1996 -6.1577 -6.1577 -4.3294 -4.3294 -4.2623 -4.2623 -4.1313 -4.1313 -4.0839 -4.0839 -0.5429 -0.5429 -0.3479 -0.3479 3.2080 3.2080 3.3032 3.3032 3.4592 3.4592 3.5067 3.5067 3.6320 3.6320 3.7403 3.7403 3.9155 3.9155 3.9841 3.9841 4.1093 4.1093 4.2424 4.2424 5.1602 5.1602 5.7448 5.7448 6.6596 6.6596 6.8814 6.8814 7.3539 7.3539 7.5425 7.5425 9.0148 9.0148 9.4695 9.4695 10.5641 10.5641 11.5997 11.5997 11.8277 11.8277 k = 0.3553 0.2051-0.0000 ( 6611 PWs) bands (ev): -19.4744 -19.4744 -19.4629 -19.4629 -6.2003 -6.2003 -6.1603 -6.1603 -4.3280 -4.3280 -4.2692 -4.2692 -4.1349 -4.1349 -4.0841 -4.0841 -0.5400 -0.5400 -0.3247 -0.3247 3.2227 3.2227 3.3164 3.3164 3.4606 3.4606 3.5072 3.5072 3.6407 3.6407 3.7578 3.7578 3.9150 3.9150 3.9852 3.9852 4.1093 4.1093 4.2395 4.2395 5.0695 5.0695 5.6729 5.6729 6.6988 6.6988 6.8530 6.8530 7.3396 7.3396 7.5280 7.5280 8.9832 8.9832 9.4128 9.4128 10.6265 10.6265 11.6641 11.6641 11.8616 11.8616 k = 0.3684 0.2127-0.0000 ( 6615 PWs) bands (ev): -19.4740 -19.4740 -19.4626 -19.4626 -6.2010 -6.2010 -6.1628 -6.1628 -4.3269 -4.3269 -4.2755 -4.2755 -4.1380 -4.1380 -4.0842 -4.0842 -0.5387 -0.5387 -0.3012 -0.3012 3.2385 3.2385 3.3283 3.3283 3.4625 3.4625 3.5070 3.5070 3.6492 3.6492 3.7753 3.7753 3.9151 3.9151 3.9863 3.9863 4.1083 4.1083 4.2364 4.2364 4.9845 4.9845 5.6056 5.6056 6.7028 6.7028 6.8588 6.8588 7.3267 7.3267 7.5176 7.5176 8.9534 8.9534 9.3576 9.3576 10.6880 10.6880 11.7307 11.7307 11.8709 11.8709 k = 0.3816 0.2203-0.0000 ( 6615 PWs) bands (ev): -19.4736 -19.4736 -19.4623 -19.4623 -6.2016 -6.2016 -6.1651 -6.1651 -4.3261 -4.3261 -4.2810 -4.2810 -4.1408 -4.1408 -4.0844 -4.0844 -0.5384 -0.5384 -0.2783 -0.2783 3.2553 3.2553 3.3389 3.3389 3.4649 3.4649 3.5059 3.5059 3.6572 3.6572 3.7929 3.7929 3.9159 3.9159 3.9872 3.9872 4.1060 4.1060 4.2333 4.2333 4.9057 4.9057 5.5433 5.5433 6.6785 6.6785 6.8908 6.8908 7.3149 7.3149 7.5123 7.5123 8.9257 8.9257 9.3040 9.3040 10.7480 10.7480 11.7974 11.7974 11.8669 11.8669 k = 0.3947 0.2279-0.0000 ( 6615 PWs) bands (ev): -19.4733 -19.4733 -19.4620 -19.4620 -6.2022 -6.2022 -6.1672 -6.1672 -4.3256 -4.3256 -4.2859 -4.2859 -4.1433 -4.1433 -4.0845 -4.0845 -0.5387 -0.5387 -0.2567 -0.2567 3.2729 3.2729 3.3481 3.3481 3.4679 3.4679 3.5041 3.5041 3.6646 3.6646 3.8104 3.8104 3.9174 3.9174 3.9880 3.9880 4.1023 4.1023 4.2302 4.2302 4.8334 4.8334 5.4863 5.4863 6.6460 6.6460 6.9282 6.9282 7.3042 7.3042 7.5126 7.5126 8.9003 8.9003 9.2526 9.2526 10.8059 10.8059 11.8598 11.8598 11.8672 11.8672 k = 0.4079 0.2355-0.0000 ( 6615 PWs) bands (ev): -19.4730 -19.4730 -19.4617 -19.4617 -6.2027 -6.2027 -6.1691 -6.1691 -4.3255 -4.3255 -4.2900 -4.2900 -4.1454 -4.1454 -4.0846 -4.0846 -0.5393 -0.5393 -0.2366 -0.2366 3.2908 3.2908 3.3560 3.3560 3.4712 3.4712 3.5015 3.5015 3.6711 3.6711 3.8277 3.8277 3.9195 3.9195 3.9887 3.9887 4.0968 4.0968 4.2273 4.2273 4.7682 4.7682 5.4349 5.4349 6.6135 6.6135 6.9626 6.9626 7.2944 7.2944 7.5186 7.5186 8.8774 8.8774 9.2039 9.2039 10.8609 10.8609 11.8700 11.8700 11.9126 11.9126 k = 0.4211 0.2431-0.0000 ( 6623 PWs) bands (ev): -19.4728 -19.4728 -19.4615 -19.4615 -6.2032 -6.2032 -6.1708 -6.1708 -4.3256 -4.3256 -4.2934 -4.2934 -4.1472 -4.1472 -4.0847 -4.0847 -0.5401 -0.5401 -0.2186 -0.2186 3.3085 3.3085 3.3632 3.3632 3.4741 3.4741 3.4986 3.4986 3.6767 3.6767 3.8446 3.8446 3.9222 3.9222 3.9894 3.9894 4.0895 4.0895 4.2248 4.2248 4.7105 4.7105 5.3896 5.3896 6.5836 6.5836 6.9913 6.9913 7.2855 7.2855 7.5296 7.5296 8.8572 8.8572 9.1587 9.1587 10.9122 10.9122 11.8773 11.8773 11.9439 11.9439 k = 0.4342 0.2507-0.0000 ( 6617 PWs) bands (ev): -19.4726 -19.4726 -19.4613 -19.4613 -6.2037 -6.2037 -6.1722 -6.1722 -4.3261 -4.3261 -4.2960 -4.2960 -4.1487 -4.1487 -4.0848 -4.0848 -0.5409 -0.5409 -0.2029 -0.2029 3.3251 3.3251 3.3704 3.3704 3.4753 3.4753 3.4964 3.4964 3.6813 3.6813 3.8611 3.8611 3.9252 3.9252 3.9900 3.9900 4.0803 4.0803 4.2228 4.2228 4.6608 4.6608 5.3506 5.3506 6.5573 6.5573 7.0137 7.0137 7.2775 7.2775 7.5443 7.5443 8.8399 8.8399 9.1178 9.1178 10.9589 10.9589 11.8869 11.8869 11.9592 11.9593 k = 0.4474 0.2583-0.0000 ( 6619 PWs) bands (ev): -19.4724 -19.4724 -19.4611 -19.4611 -6.2040 -6.2040 -6.1734 -6.1734 -4.3266 -4.3266 -4.2980 -4.2980 -4.1499 -4.1499 -4.0849 -4.0849 -0.5416 -0.5416 -0.1898 -0.1898 3.3389 3.3389 3.3790 3.3790 3.4728 3.4728 3.4962 3.4962 3.6848 3.6848 3.8766 3.8766 3.9285 3.9285 3.9909 3.9909 4.0694 4.0694 4.2213 4.2213 4.6195 4.6195 5.3183 5.3183 6.5354 6.5354 7.0304 7.0304 7.2705 7.2705 7.5608 7.5608 8.8256 8.8256 9.0823 9.0823 10.9997 10.9997 11.8979 11.8979 11.9673 11.9673 k = 0.4605 0.2659-0.0000 ( 6620 PWs) bands (ev): -19.4722 -19.4722 -19.4610 -19.4610 -6.2043 -6.2043 -6.1743 -6.1743 -4.3272 -4.3272 -4.2994 -4.2994 -4.1507 -4.1507 -4.0850 -4.0850 -0.5423 -0.5423 -0.1794 -0.1794 3.3484 3.3484 3.3904 3.3904 3.4664 3.4664 3.4979 3.4979 3.6873 3.6873 3.8906 3.8906 3.9316 3.9316 3.9924 3.9924 4.0574 4.0574 4.2204 4.2204 4.5871 4.5871 5.2928 5.2928 6.5180 6.5180 7.0421 7.0421 7.2649 7.2649 7.5767 7.5767 8.8143 8.8143 9.0531 9.0531 11.0334 11.0334 11.9087 11.9087 11.9711 11.9711 k = 0.4737 0.2735-0.0000 ( 6630 PWs) bands (ev): -19.4721 -19.4721 -19.4609 -19.4609 -6.2045 -6.2045 -6.1750 -6.1750 -4.3277 -4.3277 -4.3003 -4.3003 -4.1514 -4.1514 -4.0850 -4.0850 -0.5427 -0.5427 -0.1719 -0.1719 3.3539 3.3539 3.4041 3.4041 3.4572 3.4572 3.5000 3.5000 3.6889 3.6889 3.9021 3.9021 3.9342 3.9342 3.9948 3.9948 4.0453 4.0453 4.2198 4.2198 4.5637 4.5637 5.2745 5.2745 6.5055 6.5055 7.0497 7.0497 7.2608 7.2608 7.5899 7.5899 8.8061 8.8061 9.0314 9.0314 11.0587 11.0587 11.9180 11.9180 11.9719 11.9719 k = 0.4868 0.2811-0.0000 ( 6644 PWs) bands (ev): -19.4721 -19.4721 -19.4609 -19.4609 -6.2046 -6.2046 -6.1754 -6.1754 -4.3281 -4.3281 -4.3008 -4.3008 -4.1518 -4.1518 -4.0850 -4.0850 -0.5430 -0.5430 -0.1673 -0.1673 3.3565 3.3565 3.4187 3.4187 3.4459 3.4459 3.5016 3.5016 3.6898 3.6898 3.9099 3.9099 3.9359 3.9359 3.9980 3.9980 4.0351 4.0351 4.2196 4.2196 4.5495 4.5495 5.2634 5.2634 6.4980 6.4980 7.0540 7.0540 7.2582 7.2582 7.5985 7.5985 8.8012 8.8012 9.0180 9.0180 11.0745 11.0745 11.9244 11.9244 11.9709 11.9709 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.4721 -19.4721 -19.4608 -19.4608 -6.2047 -6.2047 -6.1755 -6.1755 -4.3282 -4.3282 -4.3010 -4.3010 -4.1519 -4.1519 -4.0850 -4.0850 -0.5431 -0.5431 -0.1658 -0.1658 3.3574 3.3574 3.4314 3.4314 3.4344 3.4344 3.5021 3.5021 3.6901 3.6901 3.9126 3.9126 3.9365 3.9365 3.9999 3.9999 4.0307 4.0307 4.2196 4.2196 4.5448 4.5448 5.2597 5.2597 6.4954 6.4954 7.0554 7.0554 7.2574 7.2574 7.6016 7.6016 8.7996 8.7996 9.0135 9.0135 11.0798 11.0798 11.9267 11.9267 11.9703 11.9703 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.4721 -19.4721 -19.4608 -19.4608 -6.2047 -6.2047 -6.1755 -6.1755 -4.3282 -4.3282 -4.3010 -4.3010 -4.1519 -4.1519 -4.0850 -4.0850 -0.5431 -0.5431 -0.1658 -0.1658 3.3574 3.3574 3.4314 3.4314 3.4344 3.4344 3.5021 3.5021 3.6901 3.6901 3.9126 3.9126 3.9365 3.9365 3.9999 3.9999 4.0307 4.0307 4.2196 4.2196 4.5448 4.5448 5.2597 5.2597 6.4954 6.4954 7.0554 7.0554 7.2574 7.2574 7.6016 7.6016 8.7996 8.7996 9.0135 9.0135 11.0798 11.0798 11.9267 11.9267 11.9703 11.9703 k = 0.4924 0.3018-0.0000 ( 6640 PWs) bands (ev): -19.4721 -19.4721 -19.4608 -19.4608 -6.2047 -6.2047 -6.1755 -6.1755 -4.3281 -4.3281 -4.3009 -4.3009 -4.1521 -4.1521 -4.0853 -4.0853 -0.5424 -0.5424 -0.1661 -0.1661 3.3572 3.3572 3.4277 3.4277 3.4365 3.4365 3.5044 3.5044 3.6906 3.6906 3.9122 3.9122 3.9368 3.9368 3.9992 3.9992 4.0317 4.0317 4.2200 4.2200 4.5454 4.5454 5.2575 5.2575 6.4967 6.4967 7.0564 7.0564 7.2452 7.2452 7.5983 7.5983 8.8137 8.8137 9.0160 9.0160 11.0806 11.0806 11.8380 11.8380 11.9917 11.9917 k = 0.4848 0.3149-0.0000 ( 6638 PWs) bands (ev): -19.4720 -19.4720 -19.4608 -19.4608 -6.2047 -6.2047 -6.1756 -6.1756 -4.3277 -4.3277 -4.3007 -4.3007 -4.1527 -4.1527 -4.0860 -4.0860 -0.5402 -0.5402 -0.1670 -0.1670 3.3568 3.3568 3.4220 3.4220 3.4382 3.4382 3.5110 3.5110 3.6921 3.6921 3.9111 3.9111 3.9375 3.9375 3.9973 3.9973 4.0346 4.0346 4.2214 4.2214 4.5472 4.5472 5.2509 5.2509 6.5006 6.5006 7.0593 7.0593 7.2094 7.2094 7.5897 7.5897 8.8542 8.8542 9.0237 9.0237 11.0828 11.0828 11.7249 11.7249 12.0075 12.0075 k = 0.4773 0.3280-0.0000 ( 6646 PWs) bands (ev): -19.4720 -19.4720 -19.4608 -19.4608 -6.2047 -6.2047 -6.1757 -6.1757 -4.3271 -4.3271 -4.3004 -4.3004 -4.1536 -4.1536 -4.0872 -4.0872 -0.5365 -0.5365 -0.1684 -0.1684 3.3560 3.3560 3.4158 3.4158 3.4388 3.4388 3.5206 3.5206 3.6947 3.6947 3.9094 3.9094 3.9383 3.9383 3.9945 3.9945 4.0391 4.0391 4.2236 4.2236 4.5501 4.5501 5.2401 5.2401 6.5067 6.5067 7.0640 7.0640 7.1519 7.1519 7.5783 7.5783 8.9163 8.9163 9.0370 9.0370 11.0861 11.0861 11.6109 11.6109 12.0315 12.0315 k = 0.4697 0.3412-0.0000 ( 6646 PWs) bands (ev): -19.4720 -19.4720 -19.4607 -19.4607 -6.2048 -6.2048 -6.1759 -6.1759 -4.3262 -4.3262 -4.3000 -4.3000 -4.1550 -4.1550 -4.0888 -4.0888 -0.5315 -0.5315 -0.1704 -0.1704 3.3550 3.3550 3.4098 3.4098 3.4385 3.4385 3.5324 3.5324 3.6982 3.6982 3.9074 3.9074 3.9390 3.9390 3.9911 3.9911 4.0451 4.0451 4.2269 4.2269 4.5543 4.5543 5.2256 5.2256 6.5147 6.5147 7.0624 7.0624 7.0840 7.0840 7.5663 7.5663 8.9916 8.9916 9.0588 9.0588 11.0901 11.0901 11.4981 11.4981 12.0646 12.0646 k = 0.4621 0.3543-0.0000 ( 6646 PWs) bands (ev): -19.4719 -19.4719 -19.4607 -19.4607 -6.2049 -6.2049 -6.1761 -6.1761 -4.3252 -4.3252 -4.2995 -4.2995 -4.1567 -4.1567 -4.0908 -4.0908 -0.5250 -0.5250 -0.1731 -0.1731 3.3536 3.3536 3.4043 3.4043 3.4377 3.4377 3.5455 3.5455 3.7026 3.7026 3.9052 3.9052 3.9394 3.9394 3.9873 3.9873 4.0523 4.0523 4.2310 4.2310 4.5598 4.5598 5.2078 5.2078 6.5239 6.5239 6.9817 6.9817 7.0829 7.0829 7.5545 7.5545 9.0540 9.0540 9.1106 9.1106 11.0936 11.0936 11.3878 11.3878 12.1062 12.1062 k = 0.4545 0.3674-0.0000 ( 6628 PWs) bands (ev): -19.4718 -19.4718 -19.4606 -19.4606 -6.2049 -6.2049 -6.1764 -6.1764 -4.3239 -4.3239 -4.2989 -4.2989 -4.1587 -4.1587 -4.0932 -4.0932 -0.5173 -0.5173 -0.1763 -0.1763 3.3522 3.3522 3.3996 3.3996 3.4366 3.4366 3.5594 3.5594 3.7078 3.7078 3.9030 3.9030 3.9393 3.9393 3.9832 3.9832 4.0609 4.0609 4.2362 4.2362 4.5667 4.5667 5.1873 5.1873 6.5334 6.5334 6.8814 6.8814 7.0933 7.0933 7.5430 7.5430 9.0883 9.0883 9.2035 9.2035 11.0942 11.0942 11.2823 11.2823 12.1559 12.1559 k = 0.4470 0.3805-0.0000 ( 6618 PWs) bands (ev): -19.4717 -19.4717 -19.4606 -19.4606 -6.2050 -6.2050 -6.1767 -6.1767 -4.3224 -4.3224 -4.2982 -4.2982 -4.1610 -4.1610 -4.0960 -4.0960 -0.5084 -0.5084 -0.1801 -0.1801 3.3506 3.3506 3.3955 3.3955 3.4353 3.4353 3.5738 3.5738 3.7138 3.7138 3.9009 3.9009 3.9385 3.9385 3.9789 3.9789 4.0707 4.0707 4.2424 4.2424 4.5751 4.5751 5.1647 5.1647 6.5416 6.5416 6.7753 6.7753 7.1059 7.1059 7.5316 7.5316 9.1200 9.1200 9.3088 9.3088 11.0821 11.0821 11.1908 11.1908 12.2126 12.2126 k = 0.4394 0.3936-0.0000 ( 6618 PWs) bands (ev): -19.4717 -19.4717 -19.4605 -19.4605 -6.2051 -6.2051 -6.1770 -6.1770 -4.3208 -4.3208 -4.2974 -4.2974 -4.1635 -4.1635 -4.0989 -4.0989 -0.4983 -0.4983 -0.1845 -0.1845 3.3491 3.3491 3.3921 3.3921 3.4339 3.4339 3.5882 3.5882 3.7203 3.7203 3.8988 3.8988 3.9371 3.9371 3.9743 3.9743 4.0815 4.0815 4.2496 4.2496 4.5851 4.5851 5.1405 5.1405 6.5424 6.5424 6.6718 6.6718 7.1203 7.1203 7.5201 7.5201 9.1545 9.1545 9.4191 9.4191 11.0265 11.0265 11.1438 11.1438 12.2185 12.2185 k = 0.4318 0.4068-0.0000 ( 6620 PWs) bands (ev): -19.4716 -19.4716 -19.4604 -19.4604 -6.2053 -6.2053 -6.1774 -6.1774 -4.3191 -4.3191 -4.2965 -4.2965 -4.1663 -4.1663 -4.1021 -4.1021 -0.4871 -0.4871 -0.1894 -0.1894 3.3479 3.3479 3.3891 3.3891 3.4325 3.4325 3.6026 3.6026 3.7271 3.7271 3.8969 3.8969 3.9349 3.9349 3.9697 3.9697 4.0932 4.0932 4.2579 4.2579 4.5969 4.5969 5.1154 5.1154 6.5015 6.5015 6.6070 6.6070 7.1363 7.1363 7.5085 7.5085 9.1925 9.1925 9.5319 9.5319 10.9362 10.9362 11.1317 11.1317 12.1790 12.1790 k = 0.4242 0.4199-0.0000 ( 6624 PWs) bands (ev): -19.4715 -19.4715 -19.4603 -19.4603 -6.2054 -6.2054 -6.1777 -6.1777 -4.3172 -4.3172 -4.2956 -4.2956 -4.1692 -4.1692 -4.1054 -4.1054 -0.4751 -0.4751 -0.1950 -0.1950 3.3470 3.3470 3.3864 3.3864 3.4312 3.4312 3.6167 3.6167 3.7342 3.7342 3.8951 3.8951 3.9322 3.9322 3.9649 3.9649 4.1055 4.1055 4.2675 4.2675 4.6107 4.6107 5.0898 5.0898 6.4019 6.4019 6.5989 6.5989 7.1536 7.1536 7.4968 7.4968 9.2340 9.2340 9.6459 9.6459 10.8399 10.8399 11.1252 11.1252 12.1288 12.1288 k = 0.4167 0.4330-0.0000 ( 6636 PWs) bands (ev): -19.4714 -19.4714 -19.4602 -19.4602 -6.2055 -6.2055 -6.1781 -6.1781 -4.3153 -4.3153 -4.2947 -4.2947 -4.1723 -4.1723 -4.1087 -4.1087 -0.4622 -0.4622 -0.2011 -0.2011 3.3466 3.3466 3.3841 3.3841 3.4299 3.4299 3.6306 3.6306 3.7412 3.7412 3.8935 3.8935 3.9288 3.9288 3.9600 3.9600 4.1181 4.1181 4.2781 4.2781 4.6267 4.6267 5.0643 5.0643 6.2888 6.2888 6.6036 6.6036 7.1722 7.1722 7.4848 7.4848 9.2788 9.2788 9.7602 9.7602 10.7443 10.7443 11.1172 11.1172 12.0653 12.0653 k = 0.4091 0.4461-0.0000 ( 6632 PWs) bands (ev): -19.4713 -19.4713 -19.4601 -19.4601 -6.2057 -6.2057 -6.1786 -6.1786 -4.3135 -4.3135 -4.2937 -4.2937 -4.1754 -4.1754 -4.1121 -4.1121 -0.4487 -0.4487 -0.2077 -0.2077 3.3467 3.3467 3.3820 3.3820 3.4285 3.4285 3.6442 3.6442 3.7479 3.7479 3.8921 3.8921 3.9250 3.9250 3.9550 3.9550 4.1305 4.1305 4.2899 4.2899 4.6452 4.6452 5.0394 5.0394 6.1741 6.1741 6.6098 6.6098 7.1917 7.1917 7.4729 7.4729 9.3266 9.3266 9.8741 9.8741 10.6512 10.6512 11.1060 11.1060 11.9936 11.9936 k = 0.4015 0.4593-0.0000 ( 6628 PWs) bands (ev): -19.4712 -19.4712 -19.4600 -19.4600 -6.2058 -6.2058 -6.1790 -6.1790 -4.3116 -4.3116 -4.2928 -4.2928 -4.1785 -4.1785 -4.1153 -4.1153 -0.4347 -0.4347 -0.2149 -0.2149 3.3475 3.3475 3.3802 3.3802 3.4271 3.4271 3.6576 3.6576 3.7540 3.7540 3.8909 3.8909 3.9208 3.9208 3.9499 3.9499 4.1425 4.1425 4.3027 4.3027 4.6664 4.6664 5.0153 5.0153 6.0607 6.0607 6.6156 6.6156 7.2119 7.2119 7.4609 7.4609 9.3771 9.3771 9.9870 9.9870 10.5614 10.5614 11.0910 11.0910 11.9177 11.9177 k = 0.3939 0.4724-0.0000 ( 6628 PWs) bands (ev): -19.4711 -19.4711 -19.4599 -19.4599 -6.2059 -6.2059 -6.1794 -6.1794 -4.3099 -4.3099 -4.2918 -4.2918 -4.1815 -4.1815 -4.1184 -4.1184 -0.4204 -0.4204 -0.2225 -0.2225 3.3488 3.3488 3.3786 3.3786 3.4256 3.4256 3.6707 3.6707 3.7594 3.7594 3.8900 3.8900 3.9165 3.9165 3.9448 3.9448 4.1536 4.1536 4.3162 4.3162 4.6903 4.6903 4.9925 4.9925 5.9503 5.9503 6.6204 6.6204 7.2325 7.2325 7.4491 7.4491 9.4301 9.4301 10.0975 10.0975 10.4763 10.4763 11.0725 11.0725 11.8395 11.8395 k = 0.3864 0.4855-0.0000 ( 6624 PWs) bands (ev): -19.4710 -19.4710 -19.4598 -19.4598 -6.2061 -6.2061 -6.1799 -6.1799 -4.3084 -4.3084 -4.2907 -4.2907 -4.1844 -4.1844 -4.1212 -4.1212 -0.4060 -0.4060 -0.2305 -0.2305 3.3507 3.3507 3.3774 3.3774 3.4238 3.4238 3.6836 3.6836 3.7639 3.7639 3.8894 3.8894 3.9121 3.9121 3.9396 3.9396 4.1636 4.1636 4.3300 4.3300 4.7169 4.7169 4.9714 4.9714 5.8440 5.8440 6.6240 6.6240 7.2532 7.2532 7.4375 7.4375 9.4849 9.4849 10.2007 10.2007 10.4004 10.4004 11.0511 11.0511 11.7602 11.7602 k = 0.3788 0.4986-0.0000 ( 6610 PWs) bands (ev): -19.4709 -19.4709 -19.4598 -19.4598 -6.2062 -6.2062 -6.1803 -6.1803 -4.3071 -4.3071 -4.2897 -4.2897 -4.1872 -4.1872 -4.1238 -4.1238 -0.3916 -0.3916 -0.2389 -0.2389 3.3530 3.3530 3.3767 3.3767 3.4218 3.4218 3.6963 3.6963 3.7674 3.7674 3.8891 3.8891 3.9078 3.9078 3.9345 3.9345 4.1724 4.1724 4.3436 4.3436 4.7460 4.7460 4.9522 4.9522 5.7433 5.7433 6.6263 6.6263 7.2735 7.2735 7.4263 7.4263 9.5413 9.5413 10.2566 10.2566 10.3736 10.3736 11.0276 11.0276 11.6811 11.6811 k = 0.3712 0.5117-0.0000 ( 6614 PWs) bands (ev): -19.4708 -19.4708 -19.4597 -19.4597 -6.2063 -6.2063 -6.1806 -6.1806 -4.3060 -4.3060 -4.2887 -4.2887 -4.1896 -4.1896 -4.1260 -4.1260 -0.3776 -0.3776 -0.2474 -0.2474 3.3554 3.3554 3.3767 3.3767 3.4194 3.4194 3.7086 3.7086 3.7696 3.7696 3.8890 3.8890 3.9039 3.9039 3.9293 3.9293 4.1799 4.1799 4.3564 4.3564 4.7768 4.7768 4.9353 4.9353 5.6497 5.6497 6.6276 6.6276 7.2929 7.2929 7.4156 7.4156 9.5988 9.5988 10.2092 10.2092 10.4508 10.4508 11.0030 11.0030 11.6030 11.6030 k = 0.3636 0.5249-0.0000 ( 6614 PWs) bands (ev): -19.4707 -19.4707 -19.4596 -19.4596 -6.2064 -6.2064 -6.1810 -6.1810 -4.3052 -4.3052 -4.2878 -4.2878 -4.1917 -4.1917 -4.1278 -4.1278 -0.3644 -0.3644 -0.2559 -0.2559 3.3578 3.3578 3.3774 3.3774 3.4166 3.4166 3.7204 3.7204 3.7704 3.7704 3.8891 3.8891 3.9007 3.9007 3.9242 3.9242 4.1860 4.1860 4.3681 4.3681 4.8081 4.8081 4.9210 4.9210 5.5653 5.5653 6.6280 6.6280 7.3110 7.3110 7.4057 7.4057 9.6567 9.6567 10.1413 10.1413 10.5478 10.5478 10.9786 10.9786 11.5276 11.5276 k = 0.3561 0.5380-0.0000 ( 6622 PWs) bands (ev): -19.4706 -19.4706 -19.4596 -19.4596 -6.2065 -6.2065 -6.1812 -6.1812 -4.3047 -4.3047 -4.2870 -4.2870 -4.1935 -4.1935 -4.1293 -4.1293 -0.3523 -0.3523 -0.2641 -0.2641 3.3597 3.3597 3.3792 3.3792 3.4134 3.4134 3.7315 3.7315 3.7700 3.7700 3.8892 3.8892 3.8984 3.8984 3.9194 3.9194 4.1908 4.1908 4.3779 4.3779 4.8373 4.8373 4.9099 4.9099 5.4929 5.4929 6.6278 6.6278 7.3270 7.3270 7.3968 7.3968 9.7147 9.7147 10.0735 10.0735 10.6405 10.6405 10.9564 10.9564 11.4570 11.4570 k = 0.3485 0.5511-0.0000 ( 6628 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2066 -6.2066 -6.1814 -6.1814 -4.3044 -4.3044 -4.2864 -4.2864 -4.1947 -4.1947 -4.1303 -4.1303 -0.3421 -0.3421 -0.2713 -0.2713 3.3610 3.3610 3.3820 3.3820 3.4099 3.4099 3.7415 3.7415 3.7682 3.7682 3.8890 3.8890 3.8975 3.8975 3.9150 3.9150 4.1943 4.1943 4.3856 4.3856 4.8610 4.8610 4.9027 4.9027 5.4364 5.4364 6.6272 6.6272 7.3399 7.3399 7.3896 7.3896 9.7721 9.7721 10.0089 10.0089 10.7193 10.7193 10.9401 10.9401 11.3953 11.3953 k = 0.3409 0.5642-0.0000 ( 6616 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2066 -6.2066 -6.1816 -6.1816 -4.3042 -4.3042 -4.2860 -4.2860 -4.1955 -4.1955 -4.1310 -4.1310 -0.3351 -0.3351 -0.2764 -0.2764 3.3617 3.3617 3.3850 3.3850 3.4067 3.4067 3.7495 3.7495 3.7655 3.7655 3.8886 3.8886 3.8980 3.8980 3.9115 3.9115 4.1964 4.1964 4.3906 4.3906 4.8741 4.8741 4.9010 4.9010 5.4002 5.4002 6.6266 6.6266 7.3483 7.3483 7.3849 7.3849 9.8276 9.8276 9.9489 9.9489 10.7708 10.7708 10.9351 10.9351 11.3497 11.3497 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2067 -6.2067 -6.1816 -6.1816 -4.3042 -4.3042 -4.2859 -4.2859 -4.1958 -4.1958 -4.1312 -4.1312 -0.3325 -0.3325 -0.2783 -0.2783 3.3620 3.3620 3.3865 3.3865 3.4052 3.4052 3.7532 3.7532 3.7637 3.7637 3.8884 3.8884 3.8986 3.8986 3.9099 3.9099 4.1971 4.1971 4.3923 4.3923 4.8769 4.8769 4.9019 4.9019 5.3878 5.3878 6.6263 6.6263 7.3510 7.3510 7.3836 7.3836 9.8670 9.8670 9.9080 9.9080 10.7860 10.7860 10.9381 10.9381 11.3319 11.3319 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2067 -6.2067 -6.1816 -6.1816 -4.3042 -4.3042 -4.2859 -4.2859 -4.1958 -4.1958 -4.1312 -4.1312 -0.3325 -0.3325 -0.2783 -0.2783 3.3620 3.3620 3.3865 3.3865 3.4052 3.4052 3.7532 3.7532 3.7637 3.7637 3.8884 3.8884 3.8986 3.8986 3.9099 3.9099 4.1971 4.1971 4.3923 4.3923 4.8769 4.8769 4.9019 4.9019 5.3878 5.3878 6.6263 6.6263 7.3510 7.3510 7.3836 7.3836 9.8670 9.8670 9.9080 9.9080 10.7860 10.7860 10.9381 10.9381 11.3319 11.3319 k = 0.3258 0.5642-0.0000 ( 6620 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2066 -6.2066 -6.1816 -6.1816 -4.3042 -4.3042 -4.2860 -4.2860 -4.1955 -4.1955 -4.1310 -4.1310 -0.3348 -0.3348 -0.2767 -0.2767 3.3617 3.3617 3.3846 3.3846 3.4070 3.4070 3.7497 3.7497 3.7652 3.7652 3.8886 3.8886 3.8976 3.8976 3.9118 3.9118 4.1964 4.1964 4.3904 4.3904 4.8752 4.8752 4.9009 4.9009 5.3995 5.3995 6.6267 6.6267 7.3491 7.3491 7.3839 7.3839 9.8300 9.8300 9.9465 9.9465 10.7765 10.7765 10.9283 10.9283 11.3503 11.3503 k = 0.3182 0.5511-0.0000 ( 6632 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2066 -6.2066 -6.1814 -6.1814 -4.3042 -4.3042 -4.2864 -4.2864 -4.1947 -4.1947 -4.1304 -4.1304 -0.3407 -0.3407 -0.2729 -0.2729 3.3607 3.3607 3.3801 3.3801 3.4116 3.4116 3.7423 3.7423 3.7665 3.7665 3.8892 3.8892 3.8955 3.8955 3.9170 3.9170 4.1942 4.1942 4.3847 4.3847 4.8694 4.8694 4.9015 4.9015 5.4318 5.4318 6.6281 6.6281 7.3453 7.3453 7.3829 7.3829 9.7823 9.7823 9.9990 9.9990 10.7550 10.7550 10.8985 10.8985 11.3973 11.3973 k = 0.3106 0.5380-0.0000 ( 6632 PWs) bands (ev): -19.4707 -19.4707 -19.4596 -19.4596 -6.2065 -6.2065 -6.1811 -6.1811 -4.3042 -4.3042 -4.2871 -4.2871 -4.1935 -4.1935 -4.1295 -4.1295 -0.3486 -0.3486 -0.2688 -0.2688 3.3581 3.3581 3.3750 3.3750 3.4174 3.4174 3.7328 3.7328 3.7658 3.7658 3.8900 3.8900 3.8934 3.8934 3.9242 3.9242 4.1904 4.1904 4.3752 4.3752 4.8615 4.8615 4.9076 4.9076 5.4795 5.4795 6.6309 6.6309 7.3409 7.3409 7.3788 7.3788 9.7377 9.7377 10.0517 10.0517 10.7256 10.7256 10.8585 10.8585 11.4560 11.4560 k = 0.3030 0.5249-0.0000 ( 6626 PWs) bands (ev): -19.4707 -19.4707 -19.4596 -19.4596 -6.2063 -6.2063 -6.1807 -6.1807 -4.3041 -4.3041 -4.2879 -4.2879 -4.1917 -4.1917 -4.1283 -4.1283 -0.3574 -0.3574 -0.2653 -0.2653 3.3529 3.3529 3.3711 3.3711 3.4237 3.4237 3.7217 3.7217 3.7631 3.7631 3.8893 3.8893 3.8929 3.8929 3.9328 3.9328 4.1851 4.1851 4.3625 4.3625 4.8563 4.8563 4.9188 4.9188 5.5384 5.5384 6.6353 6.6353 7.3362 7.3362 7.3710 7.3710 9.6973 9.6973 10.1040 10.1040 10.6875 10.6875 10.8194 10.8194 11.5120 11.5120 k = 0.2955 0.5117-0.0000 ( 6624 PWs) bands (ev): -19.4708 -19.4708 -19.4597 -19.4597 -6.2062 -6.2062 -6.1801 -6.1801 -4.3039 -4.3039 -4.2889 -4.2889 -4.1896 -4.1896 -4.1268 -4.1268 -0.3666 -0.3666 -0.2632 -0.2632 3.3448 3.3448 3.3687 3.3687 3.4301 3.4301 3.7090 3.7090 3.7584 3.7584 3.8871 3.8871 3.8939 3.8939 3.9420 3.9420 4.1783 4.1783 4.3479 4.3479 4.8567 4.8567 4.9345 4.9345 5.6055 5.6055 6.6417 6.6417 7.3301 7.3301 7.3602 7.3602 9.6613 9.6613 10.1560 10.1560 10.6402 10.6402 10.7872 10.7872 11.5542 11.5542 k = 0.2879 0.4986-0.0000 ( 6620 PWs) bands (ev): -19.4710 -19.4710 -19.4599 -19.4599 -6.2059 -6.2059 -6.1794 -6.1794 -4.3037 -4.3037 -4.2899 -4.2899 -4.1871 -4.1871 -4.1251 -4.1251 -0.3758 -0.3758 -0.2629 -0.2629 3.3346 3.3346 3.3672 3.3672 3.4364 3.4364 3.6949 3.6949 3.7523 3.7523 3.8843 3.8843 3.8954 3.8954 3.9511 3.9511 4.1702 4.1702 4.3326 4.3326 4.8642 4.8642 4.9546 4.9546 5.6786 5.6786 6.6503 6.6503 7.3191 7.3191 7.3498 7.3498 9.6299 9.6299 10.2078 10.2078 10.5862 10.5862 10.7629 10.7629 11.5751 11.5751 k = 0.2803 0.4855-0.0000 ( 6612 PWs) bands (ev): -19.4711 -19.4711 -19.4600 -19.4600 -6.2056 -6.2056 -6.1785 -6.1785 -4.3035 -4.3035 -4.2906 -4.2906 -4.1843 -4.1843 -4.1232 -4.1232 -0.3848 -0.3848 -0.2647 -0.2647 3.3231 3.3231 3.3657 3.3657 3.4424 3.4424 3.6797 3.6797 3.7450 3.7450 3.8809 3.8809 3.8970 3.8970 3.9595 3.9595 4.1612 4.1612 4.3180 4.3180 4.8791 4.8791 4.9791 4.9791 5.7563 5.7563 6.6613 6.6613 7.2990 7.2990 7.3440 7.3440 9.6032 9.6032 10.2589 10.2589 10.5297 10.5297 10.7449 10.7449 11.5716 11.5716 k = 0.2727 0.4724-0.0000 ( 6616 PWs) bands (ev): -19.4713 -19.4713 -19.4602 -19.4602 -6.2053 -6.2053 -6.1775 -6.1775 -4.3035 -4.3035 -4.2909 -4.2909 -4.1812 -4.1812 -4.1212 -4.1212 -0.3935 -0.3935 -0.2686 -0.2686 3.3106 3.3106 3.3640 3.3640 3.4481 3.4481 3.6636 3.6636 3.7367 3.7367 3.8765 3.8765 3.8987 3.8987 3.9666 3.9666 4.1518 4.1518 4.3048 4.3048 4.9014 4.9014 5.0080 5.0080 5.8376 5.8376 6.6751 6.6751 7.2705 7.2705 7.3420 7.3420 9.5813 9.5813 10.3060 10.3060 10.4767 10.4767 10.7317 10.7317 11.5458 11.5458 k = 0.2652 0.4593-0.0000 ( 6614 PWs) bands (ev): -19.4715 -19.4715 -19.4604 -19.4604 -6.2049 -6.2049 -6.1762 -6.1762 -4.3040 -4.3040 -4.2905 -4.2905 -4.1778 -4.1778 -4.1190 -4.1190 -0.4017 -0.4017 -0.2748 -0.2748 3.2973 3.2973 3.3620 3.3620 3.4534 3.4534 3.6469 3.6469 3.7277 3.7277 3.8709 3.8709 3.9006 3.9006 3.9721 3.9721 4.1429 4.1429 4.2935 4.2935 4.9306 4.9306 5.0412 5.0412 5.9218 5.9218 6.6917 6.6917 7.2354 7.2354 7.3424 7.3424 9.5641 9.5641 10.3321 10.3321 10.4462 10.4462 10.7225 10.7225 11.5027 11.5027 k = 0.2576 0.4461-0.0000 ( 6606 PWs) bands (ev): -19.4718 -19.4718 -19.4606 -19.4606 -6.2045 -6.2045 -6.1748 -6.1748 -4.3051 -4.3051 -4.2892 -4.2892 -4.1742 -4.1742 -4.1167 -4.1167 -0.4094 -0.4094 -0.2835 -0.2835 3.2834 3.2834 3.3593 3.3593 3.4581 3.4581 3.6300 3.6300 3.7182 3.7182 3.8638 3.8638 3.9025 3.9025 3.9757 3.9757 4.1350 4.1350 4.2843 4.2843 4.9667 4.9667 5.0790 5.0790 6.0081 6.0081 6.7114 6.7114 7.1945 7.1945 7.3444 7.3444 9.5519 9.5519 10.3071 10.3071 10.4689 10.4689 10.7171 10.7171 11.4476 11.4476 k = 0.2500 0.4330-0.0000 ( 6618 PWs) bands (ev): -19.4721 -19.4721 -19.4608 -19.4608 -6.2040 -6.2040 -6.1733 -6.1733 -4.3066 -4.3066 -4.2870 -4.2870 -4.1704 -4.1704 -4.1144 -4.1144 -0.4165 -0.4165 -0.2947 -0.2947 3.2692 3.2692 3.3558 3.3558 3.4623 3.4623 3.6132 3.6132 3.7082 3.7082 3.8549 3.8549 3.9046 3.9046 3.9776 3.9776 4.1287 4.1287 4.2768 4.2768 5.0092 5.0092 5.1212 5.1212 6.0962 6.0962 6.7341 6.7341 7.1486 7.1486 7.3478 7.3478 9.5445 9.5445 10.2567 10.2567 10.5193 10.5193 10.7159 10.7159 11.3844 11.3844 k = 0.2424 0.4199-0.0000 ( 6616 PWs) bands (ev): -19.4724 -19.4724 -19.4611 -19.4611 -6.2035 -6.2035 -6.1715 -6.1715 -4.3085 -4.3085 -4.2841 -4.2841 -4.1664 -4.1664 -4.1121 -4.1121 -0.4229 -0.4229 -0.3082 -0.3082 3.2549 3.2549 3.3513 3.3513 3.4660 3.4660 3.5970 3.5970 3.6980 3.6980 3.8441 3.8441 3.9068 3.9068 3.9780 3.9780 4.1239 4.1239 4.2709 4.2709 5.0581 5.0581 5.1679 5.1679 6.1853 6.1853 6.7601 6.7601 7.0982 7.0982 7.3525 7.3525 9.5420 9.5420 10.2015 10.2015 10.5749 10.5749 10.7209 10.7209 11.3163 11.3163 k = 0.2348 0.4068-0.0000 ( 6620 PWs) bands (ev): -19.4727 -19.4727 -19.4614 -19.4614 -6.2029 -6.2029 -6.1696 -6.1696 -4.3106 -4.3106 -4.2805 -4.2805 -4.1622 -4.1622 -4.1098 -4.1098 -0.4286 -0.4286 -0.3242 -0.3242 3.2407 3.2407 3.3458 3.3458 3.4691 3.4691 3.5815 3.5815 3.6877 3.6877 3.8314 3.8314 3.9092 3.9092 3.9774 3.9774 4.1205 4.1205 4.2664 4.2664 5.1130 5.1130 5.2191 5.2191 6.2750 6.2750 6.7894 6.7894 7.0439 7.0439 7.3585 7.3585 9.5444 9.5444 10.1460 10.1460 10.6255 10.6255 10.7378 10.7378 11.2451 11.2451 k = 0.2273 0.3936-0.0000 ( 6620 PWs) bands (ev): -19.4730 -19.4730 -19.4617 -19.4617 -6.2023 -6.2023 -6.1675 -6.1675 -4.3130 -4.3130 -4.2762 -4.2762 -4.1578 -4.1578 -4.1075 -4.1075 -0.4337 -0.4337 -0.3424 -0.3424 3.2268 3.2268 3.3390 3.3390 3.4717 3.4717 3.5671 3.5671 3.6774 3.6774 3.8170 3.8170 3.9118 3.9118 3.9761 3.9761 4.1180 4.1180 4.2629 4.2629 5.1738 5.1738 5.2748 5.2748 6.3644 6.3644 6.8219 6.8219 6.9866 6.9866 7.3660 7.3660 9.5517 9.5517 10.0916 10.0916 10.6596 10.6596 10.7763 10.7763 11.1723 11.1723 k = 0.2197 0.3805-0.0000 ( 6620 PWs) bands (ev): -19.4734 -19.4734 -19.4620 -19.4620 -6.2016 -6.2016 -6.1652 -6.1652 -4.3154 -4.3154 -4.2714 -4.2714 -4.1533 -4.1533 -4.1052 -4.1052 -0.4380 -0.4380 -0.3628 -0.3628 3.2134 3.2134 3.3308 3.3308 3.4739 3.4739 3.5539 3.5539 3.6670 3.6670 3.8012 3.8012 3.9145 3.9145 3.9743 3.9743 4.1162 4.1162 4.2604 4.2604 5.2404 5.2404 5.3350 5.3350 6.4522 6.4522 6.8577 6.8577 6.9279 6.9279 7.3748 7.3748 9.5638 9.5638 10.0388 10.0388 10.6774 10.6774 10.8351 10.8351 11.0992 11.0992 k = 0.2121 0.3674-0.0000 ( 6616 PWs) bands (ev): -19.4738 -19.4738 -19.4624 -19.4624 -6.2009 -6.2009 -6.1628 -6.1628 -4.3180 -4.3180 -4.2660 -4.2660 -4.1485 -4.1485 -4.1030 -4.1030 -0.4420 -0.4420 -0.3849 -0.3849 3.2007 3.2007 3.3213 3.3213 3.4756 3.4756 3.5419 3.5419 3.6569 3.6569 3.7843 3.7843 3.9174 3.9174 3.9725 3.9725 4.1146 4.1146 4.2586 4.2586 5.3124 5.3124 5.3995 5.3995 6.5353 6.5353 6.8693 6.8693 6.8980 6.8980 7.3851 7.3851 9.5806 9.5806 9.9879 9.9879 10.6878 10.6878 10.9023 10.9023 11.0282 11.0282 k = 0.2045 0.3543-0.0000 ( 6608 PWs) bands (ev): -19.4742 -19.4742 -19.4628 -19.4628 -6.2002 -6.2002 -6.1602 -6.1602 -4.3208 -4.3208 -4.2601 -4.2601 -4.1436 -4.1436 -4.1009 -4.1009 -0.4463 -0.4463 -0.4079 -0.4079 3.1889 3.1889 3.3105 3.3105 3.4770 3.4770 3.5311 3.5311 3.6469 3.6469 3.7665 3.7665 3.9205 3.9205 3.9706 3.9706 4.1130 4.1130 4.2574 4.2574 5.3896 5.3896 5.4685 5.4685 6.6043 6.6043 6.8234 6.8234 6.9400 6.9400 7.3971 7.3971 9.6021 9.6021 9.9391 9.9391 10.6953 10.6953 10.9335 10.9335 10.9988 10.9988 k = 0.1970 0.3412-0.0000 ( 6610 PWs) bands (ev): -19.4747 -19.4747 -19.4632 -19.4632 -6.1995 -6.1995 -6.1575 -6.1575 -4.3236 -4.3236 -4.2536 -4.2536 -4.1386 -4.1386 -4.0989 -4.0989 -0.4544 -0.4544 -0.4280 -0.4280 3.1779 3.1779 3.2983 3.2983 3.4780 3.4780 3.5214 3.5214 3.6372 3.6372 3.7484 3.7484 3.9238 3.9238 3.9686 3.9686 4.1112 4.1112 4.2566 4.2566 5.4719 5.4719 5.5418 5.5418 6.6290 6.6290 6.8183 6.8183 6.9857 6.9857 7.4107 7.4107 9.6281 9.6281 9.8925 9.8925 10.7010 10.7010 10.8712 10.8712 11.0662 11.0662 k = 0.1894 0.3280-0.0000 ( 6602 PWs) bands (ev): -19.4751 -19.4751 -19.4636 -19.4636 -6.1988 -6.1988 -6.1547 -6.1547 -4.3264 -4.3264 -4.2467 -4.2467 -4.1334 -4.1334 -4.0969 -4.0969 -0.4740 -0.4740 -0.4375 -0.4375 3.1679 3.1679 3.2851 3.2851 3.4786 3.4786 3.5126 3.5126 3.6278 3.6278 3.7301 3.7301 3.9272 3.9272 3.9668 3.9668 4.1092 4.1092 4.2563 4.2563 5.5586 5.5586 5.6195 5.6195 6.5939 6.5939 6.8694 6.8694 7.0348 7.0348 7.4262 7.4262 9.6584 9.6584 9.8485 9.8485 10.7037 10.7037 10.8022 10.8022 11.1435 11.1435 k = 0.1818 0.3149-0.0000 ( 6598 PWs) bands (ev): -19.4756 -19.4756 -19.4640 -19.4640 -6.1980 -6.1980 -6.1518 -6.1518 -4.3294 -4.3294 -4.2392 -4.2392 -4.1280 -4.1280 -4.0951 -4.0951 -0.5013 -0.5013 -0.4399 -0.4399 3.1590 3.1590 3.2709 3.2709 3.4788 3.4788 3.5044 3.5044 3.6189 3.6189 3.7120 3.7120 3.9307 3.9307 3.9651 3.9651 4.1070 4.1070 4.2562 4.2562 5.6494 5.6494 5.7019 5.7019 6.5335 6.5335 6.9426 6.9426 7.0871 7.0871 7.4438 7.4438 9.6927 9.6927 9.8072 9.8072 10.6945 10.6945 10.7433 10.7433 11.2205 11.2205 k = 0.1742 0.3018-0.0000 ( 6592 PWs) bands (ev): -19.4761 -19.4761 -19.4644 -19.4644 -6.1973 -6.1973 -6.1487 -6.1487 -4.3324 -4.3324 -4.2314 -4.2314 -4.1225 -4.1225 -4.0933 -4.0933 -0.5314 -0.5314 -0.4400 -0.4400 3.1510 3.1510 3.2559 3.2559 3.4785 3.4785 3.4969 3.4969 3.6104 3.6104 3.6944 3.6944 3.9343 3.9343 3.9635 3.9635 4.1044 4.1044 4.2564 4.2564 5.7433 5.7433 5.7895 5.7895 6.4651 6.4651 7.0199 7.0199 7.1426 7.1426 7.4638 7.4638 9.7282 9.7282 9.7714 9.7714 10.6449 10.6449 10.7231 10.7231 11.2938 11.2938 k = 0.1667 0.2887-0.0000 ( 6596 PWs) bands (ev): -19.4766 -19.4766 -19.4649 -19.4649 -6.1966 -6.1966 -6.1457 -6.1457 -4.3355 -4.3355 -4.2231 -4.2231 -4.1170 -4.1170 -4.0917 -4.0917 -0.5629 -0.5629 -0.4389 -0.4389 3.1441 3.1441 3.2404 3.2404 3.4777 3.4777 3.4897 3.4897 3.6024 3.6024 3.6777 3.6777 3.9379 3.9379 3.9622 3.9622 4.1016 4.1016 4.2568 4.2568 5.8389 5.8389 5.8831 5.8831 6.3939 6.3939 7.0961 7.0961 7.2012 7.2012 7.4866 7.4866 9.7249 9.7249 9.7809 9.7809 10.5787 10.5787 10.7170 10.7170 11.3584 11.3584 k = 0.1591 0.2756-0.0000 ( 6592 PWs) bands (ev): -19.4771 -19.4771 -19.4653 -19.4653 -6.1959 -6.1959 -6.1425 -6.1425 -4.3386 -4.3386 -4.2144 -4.2144 -4.1113 -4.1113 -4.0901 -4.0901 -0.5955 -0.5955 -0.4369 -0.4369 3.1380 3.1380 3.2244 3.2244 3.4760 3.4760 3.4828 3.4828 3.5948 3.5948 3.6622 3.6622 3.9415 3.9415 3.9612 3.9612 4.0985 4.0985 4.2574 4.2574 5.9347 5.9347 5.9836 5.9836 6.3221 6.3221 7.1690 7.1690 7.2625 7.2625 7.5128 7.5128 9.6928 9.6928 9.8255 9.8255 10.5112 10.5112 10.7089 10.7089 11.4058 11.4058 k = 0.1515 0.2624-0.0000 ( 6592 PWs) bands (ev): -19.4776 -19.4776 -19.4658 -19.4658 -6.1952 -6.1952 -6.1394 -6.1394 -4.3417 -4.3417 -4.2055 -4.2055 -4.1056 -4.1056 -4.0886 -4.0886 -0.6287 -0.6287 -0.4342 -0.4342 3.1327 3.1327 3.2083 3.2083 3.4728 3.4728 3.4767 3.4767 3.5877 3.5877 3.6484 3.6484 3.9446 3.9446 3.9609 3.9609 4.0951 4.0951 4.2581 4.2581 6.0289 6.0289 6.0907 6.0907 6.2523 6.2523 7.2374 7.2374 7.3257 7.3257 7.5431 7.5431 9.6615 9.6615 9.8754 9.8754 10.4446 10.4446 10.6956 10.6956 11.4254 11.4254 k = 0.1439 0.2493-0.0000 ( 6600 PWs) bands (ev): -19.4781 -19.4781 -19.4662 -19.4662 -6.1945 -6.1945 -6.1362 -6.1362 -4.3448 -4.3448 -4.1963 -4.1963 -4.0998 -4.0998 -4.0872 -4.0872 -0.6622 -0.6622 -0.4309 -0.4309 3.1282 3.1282 3.1921 3.1921 3.4668 3.4668 3.4724 3.4724 3.5808 3.5808 3.6365 3.6365 3.9469 3.9469 3.9616 3.9616 4.0916 4.0916 4.2589 4.2589 6.1070 6.1070 6.1971 6.1971 6.2065 6.2065 7.3009 7.3009 7.3894 7.3894 7.5788 7.5788 9.6324 9.6324 9.9290 9.9290 10.3793 10.3793 10.6754 10.6754 11.4148 11.4148 k = 0.1364 0.2362-0.0000 ( 6596 PWs) bands (ev): -19.4786 -19.4786 -19.4667 -19.4667 -6.1938 -6.1938 -6.1330 -6.1330 -4.3479 -4.3479 -4.1869 -4.1869 -4.0941 -4.0941 -4.0859 -4.0859 -0.6957 -0.6957 -0.4270 -0.4270 3.1241 3.1241 3.1761 3.1761 3.4592 3.4592 3.4687 3.4687 3.5742 3.5742 3.6270 3.6270 3.9479 3.9479 3.9640 3.9640 4.0879 4.0879 4.2597 4.2597 6.0847 6.0847 6.2505 6.2505 6.3215 6.3215 7.3592 7.3592 7.4517 7.4517 7.6210 7.6210 9.6057 9.6057 9.9857 9.9857 10.3158 10.3158 10.6470 10.6470 11.3831 11.3831 k = 0.1288 0.2231-0.0000 ( 6592 PWs) bands (ev): -19.4790 -19.4790 -19.4671 -19.4671 -6.1932 -6.1932 -6.1299 -6.1299 -4.3510 -4.3510 -4.1773 -4.1773 -4.0888 -4.0888 -4.0842 -4.0842 -0.7291 -0.7291 -0.4227 -0.4227 3.1204 3.1204 3.1606 3.1606 3.4507 3.4507 3.4650 3.4650 3.5676 3.5676 3.6199 3.6199 3.9479 3.9479 3.9676 3.9676 4.0841 4.0841 4.2607 4.2607 6.0196 6.0196 6.3473 6.3473 6.4433 6.4433 7.4122 7.4122 7.5112 7.5112 7.6710 7.6710 9.5814 9.5814 10.0449 10.0449 10.2544 10.2544 10.6096 10.6096 11.3411 11.3411 k = 0.1212 0.2099-0.0000 ( 6600 PWs) bands (ev): -19.4795 -19.4795 -19.4676 -19.4676 -6.1926 -6.1926 -6.1268 -6.1268 -4.3540 -4.3540 -4.1677 -4.1677 -4.0853 -4.0853 -4.0810 -4.0810 -0.7621 -0.7621 -0.4181 -0.4181 3.1164 3.1164 3.1460 3.1460 3.4414 3.4414 3.4612 3.4612 3.5609 3.5609 3.6152 3.6152 3.9472 3.9472 3.9721 3.9721 4.0802 4.0802 4.2617 4.2617 5.9515 5.9515 6.4504 6.4504 6.5689 6.5689 7.4601 7.4601 7.5668 7.5668 7.7291 7.7291 9.5593 9.5593 10.1055 10.1055 10.1959 10.1959 10.5626 10.5626 11.2948 11.2948 k = 0.1136 0.1968-0.0000 ( 6600 PWs) bands (ev): -19.4800 -19.4800 -19.4680 -19.4680 -6.1921 -6.1921 -6.1237 -6.1237 -4.3570 -4.3570 -4.1581 -4.1581 -4.0837 -4.0837 -4.0759 -4.0759 -0.7944 -0.7944 -0.4133 -0.4133 3.1112 3.1112 3.1336 3.1336 3.4313 3.4313 3.4577 3.4577 3.5543 3.5543 3.6126 3.6126 3.9462 3.9462 3.9772 3.9772 4.0764 4.0764 4.2628 4.2628 5.8842 5.8842 6.5563 6.5563 6.6979 6.6979 7.5034 7.5034 7.6182 7.6182 7.7945 7.7945 9.5395 9.5395 10.1313 10.1313 10.1762 10.1762 10.5062 10.5062 11.2476 11.2476 k = 0.1061 0.1837-0.0000 ( 6600 PWs) bands (ev): -19.4805 -19.4805 -19.4684 -19.4684 -6.1916 -6.1916 -6.1208 -6.1208 -4.3598 -4.3598 -4.1486 -4.1486 -4.0827 -4.0827 -4.0705 -4.0705 -0.8258 -0.8258 -0.4082 -0.4082 3.1028 3.1028 3.1252 3.1252 3.4206 3.4206 3.4546 3.4546 3.5479 3.5479 3.6117 3.6117 3.9451 3.9451 3.9826 3.9826 4.0725 4.0725 4.2639 4.2639 5.8187 5.8187 6.6642 6.6642 6.8296 6.8296 7.5434 7.5434 7.6653 7.6653 7.8660 7.8660 9.5216 9.5216 10.0795 10.0795 10.2374 10.2374 10.4410 10.4410 11.2013 11.2013 k = 0.0985 0.1706-0.0000 ( 6594 PWs) bands (ev): -19.4809 -19.4809 -19.4688 -19.4688 -6.1911 -6.1911 -6.1180 -6.1180 -4.3625 -4.3625 -4.1393 -4.1393 -4.0817 -4.0817 -4.0652 -4.0652 -0.8561 -0.8561 -0.4031 -0.4031 3.0916 3.0916 3.1205 3.1205 3.4096 3.4096 3.4519 3.4519 3.5418 3.5418 3.6121 3.6121 3.9439 3.9439 3.9884 3.9884 4.0688 4.0688 4.2651 4.2651 5.7555 5.7555 6.7735 6.7735 6.9635 6.9635 7.5812 7.5812 7.7080 7.7080 7.9425 7.9425 9.5056 9.5056 10.0269 10.0269 10.2991 10.2991 10.3709 10.3709 11.1566 11.1566 k = 0.0909 0.1575-0.0000 ( 6600 PWs) bands (ev): -19.4813 -19.4813 -19.4692 -19.4692 -6.1907 -6.1907 -6.1153 -6.1153 -4.3652 -4.3652 -4.1303 -4.1303 -4.0809 -4.0809 -4.0600 -4.0600 -0.8852 -0.8852 -0.3979 -0.3979 3.0792 3.0792 3.1178 3.1178 3.3985 3.3985 3.4496 3.4496 3.5359 3.5359 3.6134 3.6134 3.9426 3.9426 3.9943 3.9943 4.0653 4.0653 4.2663 4.2663 5.6950 5.6950 6.8839 6.8839 7.0984 7.0984 7.6185 7.6185 7.7463 7.7463 8.0228 8.0228 9.4913 9.4913 9.9760 9.9760 10.2790 10.2790 10.3757 10.3757 11.1142 11.1142 k = 0.0833 0.1443-0.0000 ( 6596 PWs) bands (ev): -19.4817 -19.4817 -19.4695 -19.4695 -6.1903 -6.1903 -6.1128 -6.1128 -4.3676 -4.3676 -4.1216 -4.1216 -4.0801 -4.0801 -4.0551 -4.0551 -0.9127 -0.9127 -0.3929 -0.3929 3.0670 3.0670 3.1160 3.1160 3.3875 3.3875 3.4479 3.4479 3.5304 3.5304 3.6154 3.6154 3.9413 3.9413 4.0003 4.0003 4.0619 4.0619 4.2676 4.2676 5.6375 5.6375 6.9946 6.9946 7.2326 7.2326 7.6569 7.6569 7.7805 7.7805 8.1060 8.1060 9.4784 9.4784 9.9269 9.9269 10.1942 10.1942 10.4388 10.4388 11.0741 11.0741 k = 0.0758 0.1312-0.0000 ( 6588 PWs) bands (ev): -19.4821 -19.4821 -19.4699 -19.4699 -6.1900 -6.1900 -6.1104 -6.1104 -4.3699 -4.3699 -4.1134 -4.1134 -4.0793 -4.0793 -4.0504 -4.0504 -0.9385 -0.9385 -0.3879 -0.3879 3.0553 3.0553 3.1146 3.1146 3.3769 3.3769 3.4467 3.4467 3.5252 3.5252 3.6178 3.6178 3.9400 3.9400 4.0063 4.0063 4.0588 4.0588 4.2689 4.2689 5.5835 5.5835 7.1052 7.1052 7.3625 7.3625 7.6999 7.6999 7.8111 7.8111 8.1915 8.1915 9.4668 9.4668 9.8790 9.8790 10.1030 10.1030 10.5023 10.5023 11.0341 11.0341 k = 0.0682 0.1181-0.0000 ( 6578 PWs) bands (ev): -19.4825 -19.4825 -19.4702 -19.4702 -6.1897 -6.1897 -6.1082 -6.1082 -4.3721 -4.3721 -4.1059 -4.1059 -4.0784 -4.0784 -4.0460 -4.0460 -0.9624 -0.9624 -0.3832 -0.3832 3.0444 3.0444 3.1136 3.1136 3.3668 3.3668 3.4460 3.4460 3.5203 3.5203 3.6205 3.6205 3.9388 3.9388 4.0121 4.0121 4.0561 4.0561 4.2703 4.2703 5.5331 5.5331 7.2147 7.2147 7.4803 7.4803 7.7534 7.7534 7.8396 7.8396 8.2784 8.2784 9.4563 9.4563 9.8317 9.8317 10.0085 10.0085 10.5635 10.5635 10.9392 10.9392 k = 0.0606 0.1050-0.0000 ( 6595 PWs) bands (ev): -19.4828 -19.4828 -19.4705 -19.4705 -6.1894 -6.1894 -6.1062 -6.1062 -4.3740 -4.3740 -4.0992 -4.0992 -4.0772 -4.0772 -4.0420 -4.0420 -0.9843 -0.9843 -0.3788 -0.3788 3.0344 3.0344 3.1126 3.1126 3.3574 3.3574 3.4457 3.4457 3.5158 3.5158 3.6232 3.6232 3.9376 3.9376 4.0176 4.0176 4.0538 4.0538 4.2716 4.2716 5.4869 5.4869 7.3222 7.3222 7.5741 7.5741 7.8205 7.8205 7.8750 7.8750 8.3660 8.3660 9.4468 9.4468 9.7836 9.7836 9.9127 9.9127 10.6208 10.6208 10.8123 10.8123 k = 0.0530 0.0919-0.0000 ( 6583 PWs) bands (ev): -19.4831 -19.4831 -19.4707 -19.4707 -6.1892 -6.1892 -6.1043 -6.1043 -4.3758 -4.3758 -4.0936 -4.0936 -4.0758 -4.0758 -4.0384 -4.0384 -1.0040 -1.0040 -0.3747 -0.3747 3.0254 3.0254 3.1119 3.1119 3.3488 3.3488 3.4457 3.4457 3.5117 3.5117 3.6259 3.6259 3.9365 3.9365 4.0224 4.0224 4.0522 4.0522 4.2729 4.2729 5.4450 5.4450 7.4260 7.4260 7.6382 7.6382 7.8646 7.8646 7.9593 7.9593 8.4532 8.4532 9.4380 9.4380 9.7327 9.7327 9.8178 9.8178 10.6667 10.6667 10.6954 10.6954 k = 0.0455 0.0787-0.0000 ( 6569 PWs) bands (ev): -19.4833 -19.4833 -19.4710 -19.4710 -6.1890 -6.1890 -6.1028 -6.1028 -4.3773 -4.3773 -4.0894 -4.0894 -4.0738 -4.0738 -4.0351 -4.0351 -1.0213 -1.0213 -0.3711 -0.3711 3.0175 3.0175 3.1113 3.1113 3.3411 3.3411 3.4461 3.4461 3.5080 3.5080 3.6284 3.6284 3.9355 3.9355 4.0264 4.0264 4.0514 4.0514 4.2742 4.2742 5.4079 5.4079 7.5243 7.5243 7.6804 7.6804 7.8873 7.8873 8.0831 8.0831 8.5389 8.5389 9.4297 9.4297 9.6764 9.6764 9.7264 9.7264 10.5695 10.5695 10.6055 10.6055 k = 0.0379 0.0656-0.0000 ( 6577 PWs) bands (ev): -19.4835 -19.4835 -19.4712 -19.4712 -6.1888 -6.1888 -6.1014 -6.1014 -4.3786 -4.3786 -4.0865 -4.0865 -4.0712 -4.0712 -4.0324 -4.0324 -1.0363 -1.0363 -0.3679 -0.3679 3.0107 3.0107 3.1108 3.1108 3.3344 3.3344 3.4466 3.4466 3.5046 3.5046 3.6307 3.6307 3.9346 3.9346 4.0292 4.0292 4.0514 4.0514 4.2755 4.2755 5.3758 5.3758 7.6139 7.6139 7.7099 7.7099 7.9061 7.9061 8.2188 8.2188 8.6218 8.6218 9.4214 9.4214 9.6114 9.6114 9.6418 9.6418 10.4610 10.4610 10.4748 10.4748 k = 0.0303 0.0525-0.0000 ( 6565 PWs) bands (ev): -19.4837 -19.4837 -19.4713 -19.4713 -6.1887 -6.1887 -6.1003 -6.1003 -4.3797 -4.3797 -4.0846 -4.0846 -4.0685 -4.0685 -4.0300 -4.0300 -1.0486 -1.0486 -0.3652 -0.3652 3.0051 3.0051 3.1104 3.1104 3.3288 3.3288 3.4473 3.4473 3.5018 3.5018 3.6327 3.6327 3.9338 3.9338 4.0309 4.0309 4.0524 4.0524 4.2766 4.2766 5.3490 5.3490 7.6909 7.6909 7.7317 7.7317 7.9253 7.9253 8.3562 8.3562 8.7008 8.7008 9.4113 9.4113 9.5408 9.5408 9.5627 9.5627 10.3567 10.3567 10.3703 10.3703 k = 0.0227 0.0394-0.0000 ( 6573 PWs) bands (ev): -19.4838 -19.4838 -19.4714 -19.4714 -6.1886 -6.1886 -6.0994 -6.0994 -4.3806 -4.3806 -4.0836 -4.0836 -4.0660 -4.0660 -4.0282 -4.0282 -1.0583 -1.0583 -0.3631 -0.3631 3.0007 3.0007 3.1101 3.1101 3.3244 3.3244 3.4479 3.4479 3.4994 3.4994 3.6342 3.6342 3.9332 3.9332 4.0316 4.0316 4.0538 4.0538 4.2775 4.2775 5.3279 5.3279 7.7450 7.7450 7.7533 7.7533 7.9468 7.9468 8.4869 8.4869 8.7757 8.7757 9.3901 9.3901 9.4762 9.4762 9.4888 9.4888 10.2655 10.2655 10.2908 10.2908 k = 0.0152 0.0262-0.0000 ( 6557 PWs) bands (ev): -19.4840 -19.4840 -19.4715 -19.4715 -6.1885 -6.1885 -6.0988 -6.0988 -4.3812 -4.3812 -4.0830 -4.0830 -4.0640 -4.0640 -4.0269 -4.0269 -1.0653 -1.0653 -0.3616 -0.3616 2.9975 2.9975 3.1099 3.1099 3.3212 3.3212 3.4485 3.4485 3.4977 3.4977 3.6354 3.6354 3.9328 3.9328 4.0319 4.0319 4.0551 4.0551 4.2782 4.2782 5.3126 5.3126 7.7578 7.7578 7.7912 7.7912 7.9699 7.9699 8.5985 8.5985 8.8496 8.8496 9.3294 9.3294 9.4315 9.4315 9.4413 9.4413 10.1971 10.1971 10.2327 10.2327 k = 0.0076 0.0131-0.0000 ( 6551 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1885 -6.1885 -6.0984 -6.0984 -4.3816 -4.3816 -4.0826 -4.0826 -4.0627 -4.0627 -4.0261 -4.0261 -1.0695 -1.0695 -0.3607 -0.3607 2.9956 2.9956 3.1098 3.1098 3.3193 3.3193 3.4489 3.4489 3.4967 3.4967 3.6362 3.6362 3.9325 3.9325 4.0320 4.0320 4.0561 4.0561 4.2787 4.2787 5.3034 5.3034 7.7645 7.7645 7.8123 7.8123 7.9886 7.9886 8.6732 8.6732 8.9251 8.9251 9.2423 9.2423 9.3992 9.3992 9.4296 9.4296 10.1543 10.1543 10.1977 10.1977 k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1885 -6.1885 -6.0983 -6.0983 -4.3817 -4.3817 -4.0825 -4.0825 -4.0623 -4.0623 -4.0259 -4.0259 -1.0709 -1.0709 -0.3604 -0.3604 2.9950 2.9950 3.1097 3.1097 3.3186 3.3186 3.4490 3.4490 3.4963 3.4963 3.6363 3.6363 3.9324 3.9324 4.0320 4.0320 4.0564 4.0564 4.2788 4.2788 5.3003 5.3003 7.7667 7.7667 7.8188 7.8188 7.9959 7.9959 8.6986 8.6986 8.9695 8.9695 9.1923 9.1923 9.3882 9.3882 9.4270 9.4270 10.1397 10.1397 10.1861 10.1861 k = 0.0000 0.0000 0.0000 ( 6565 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1885 -6.1885 -6.0983 -6.0983 -4.3817 -4.3817 -4.0825 -4.0825 -4.0623 -4.0623 -4.0259 -4.0259 -1.0709 -1.0709 -0.3604 -0.3604 2.9950 2.9950 3.1097 3.1097 3.3186 3.3186 3.4490 3.4490 3.4963 3.4963 3.6363 3.6363 3.9324 3.9324 4.0320 4.0320 4.0564 4.0564 4.2788 4.2788 5.3003 5.3003 7.7667 7.7667 7.8188 7.8188 7.9959 7.9959 8.6986 8.6986 8.9695 8.9695 9.1923 9.1923 9.3882 9.3882 9.4270 9.4270 10.1397 10.1397 10.1861 10.1861 k = 0.0000 0.0000 0.0146 ( 6553 PWs) bands (ev): -19.4840 -19.4840 -19.4716 -19.4716 -6.1883 -6.1883 -6.0984 -6.0984 -4.3812 -4.3812 -4.0832 -4.0832 -4.0622 -4.0622 -4.0259 -4.0259 -1.0695 -1.0695 -0.3617 -0.3617 2.9952 2.9952 3.1095 3.1095 3.3189 3.3189 3.4487 3.4487 3.4965 3.4965 3.6360 3.6360 3.9326 3.9326 4.0322 4.0322 4.0562 4.0562 4.2774 4.2774 5.3048 5.3048 7.7579 7.7579 7.8199 7.8199 7.9971 7.9971 8.6941 8.6941 8.9661 8.9661 9.1960 9.1960 9.3884 9.3884 9.4352 9.4352 10.1417 10.1417 10.1881 10.1881 k = 0.0000 0.0000 0.0293 ( 6559 PWs) bands (ev): -19.4839 -19.4839 -19.4717 -19.4717 -6.1877 -6.1877 -6.0989 -6.0989 -4.3799 -4.3799 -4.0854 -4.0854 -4.0620 -4.0620 -4.0261 -4.0261 -1.0653 -1.0653 -0.3657 -0.3657 2.9959 2.9959 3.1089 3.1089 3.3196 3.3196 3.4480 3.4480 3.4971 3.4971 3.6348 3.6348 3.9333 3.9333 4.0327 4.0327 4.0554 4.0554 4.2733 4.2733 5.3183 5.3183 7.7321 7.7321 7.8232 7.8232 8.0008 8.0008 8.6814 8.6814 8.9558 8.9558 9.2061 9.2061 9.3891 9.3891 9.4598 9.4598 10.1475 10.1475 10.1942 10.1942 k = 0.0000 0.0000 0.0439 ( 6571 PWs) bands (ev): -19.4838 -19.4838 -19.4718 -19.4718 -6.1868 -6.1868 -6.0996 -6.0996 -4.3776 -4.3776 -4.0889 -4.0889 -4.0617 -4.0617 -4.0265 -4.0265 -1.0584 -1.0584 -0.3724 -0.3724 2.9970 2.9970 3.1078 3.1078 3.3208 3.3208 3.4466 3.4466 3.4981 3.4981 3.6329 3.6329 3.9344 3.9344 4.0336 4.0336 4.0542 4.0542 4.2667 4.2667 5.3405 5.3405 7.6907 7.6907 7.8286 7.8286 8.0068 8.0068 8.6619 8.6619 8.9390 8.9390 9.2196 9.2196 9.3903 9.3903 9.5008 9.5008 10.1571 10.1571 10.2044 10.2044 k = 0.0000 0.0000 0.0586 ( 6559 PWs) bands (ev): -19.4837 -19.4837 -19.4720 -19.4720 -6.1855 -6.1855 -6.1007 -6.1007 -4.3745 -4.3745 -4.0938 -4.0938 -4.0612 -4.0612 -4.0270 -4.0270 -1.0487 -1.0487 -0.3817 -0.3817 2.9985 2.9985 3.1063 3.1063 3.3225 3.3225 3.4449 3.4449 3.4995 3.4995 3.6304 3.6304 3.9359 3.9359 4.0349 4.0349 4.0525 4.0525 4.2581 4.2581 5.3709 5.3709 7.6359 7.6359 7.8362 7.8362 8.0153 8.0153 8.6375 8.6375 8.9164 8.9164 9.2340 9.2340 9.3918 9.3918 9.5570 9.5570 10.1707 10.1707 10.2187 10.2187 k = 0.0000 0.0000 0.0732 ( 6553 PWs) bands (ev): -19.4835 -19.4835 -19.4722 -19.4722 -6.1839 -6.1839 -6.1021 -6.1021 -4.3704 -4.3704 -4.1000 -4.1000 -4.0606 -4.0606 -4.0276 -4.0276 -1.0365 -1.0365 -0.3935 -0.3935 3.0004 3.0004 3.1044 3.1044 3.3247 3.3247 3.4426 3.4426 3.5013 3.5013 3.6271 3.6271 3.9379 3.9379 4.0366 4.0366 4.0503 4.0503 4.2478 4.2478 5.4089 5.4089 7.5700 7.5700 7.8459 7.8459 8.0261 8.0261 8.6094 8.6094 8.8887 8.8887 9.2484 9.2484 9.3937 9.3937 9.6262 9.6262 10.1881 10.1881 10.2370 10.2370 k = 0.0000 0.0000 0.0878 ( 6547 PWs) bands (ev): -19.4832 -19.4832 -19.4724 -19.4724 -6.1819 -6.1819 -6.1037 -6.1037 -4.3655 -4.3655 -4.1073 -4.1073 -4.0599 -4.0599 -4.0283 -4.0283 -1.0217 -1.0217 -0.4077 -0.4077 3.0027 3.0027 3.1021 3.1021 3.3273 3.3273 3.4399 3.4399 3.5034 3.5034 3.6233 3.6233 3.9403 3.9403 4.0387 4.0387 4.0476 4.0476 4.2362 4.2362 5.4540 5.4540 7.4950 7.4950 7.8577 7.8577 8.0393 8.0393 8.5785 8.5785 8.8567 8.8567 9.2625 9.2625 9.3959 9.3959 9.7056 9.7056 10.2093 10.2093 10.2593 10.2593 k = 0.0000 0.0000 0.1025 ( 6541 PWs) bands (ev): -19.4829 -19.4829 -19.4727 -19.4727 -6.1796 -6.1796 -6.1057 -6.1057 -4.3598 -4.3598 -4.1158 -4.1158 -4.0591 -4.0591 -4.0292 -4.0292 -1.0047 -1.0047 -0.4242 -0.4242 3.0054 3.0054 3.0994 3.0994 3.3303 3.3303 3.4368 3.4368 3.5059 3.5059 3.6188 3.6188 3.9431 3.9431 4.0412 4.0412 4.0446 4.0446 4.2237 4.2237 5.5056 5.5056 7.4131 7.4131 7.8716 7.8716 8.0548 8.0548 8.5456 8.5456 8.8211 8.8211 9.2764 9.2764 9.3982 9.3982 9.7929 9.7929 10.2344 10.2344 10.2857 10.2857 k = 0.0000 0.0000 0.1171 ( 6547 PWs) bands (ev): -19.4826 -19.4826 -19.4731 -19.4731 -6.1770 -6.1770 -6.1079 -6.1079 -4.3532 -4.3532 -4.1253 -4.1253 -4.0581 -4.0581 -4.0302 -4.0302 -0.9854 -0.9854 -0.4430 -0.4430 3.0085 3.0085 3.0964 3.0964 3.3338 3.3338 3.4333 3.4333 3.5087 3.5087 3.6140 3.6140 3.9462 3.9462 4.0412 4.0412 4.0440 4.0440 4.2109 4.2109 5.5631 5.5631 7.3258 7.3258 7.8876 7.8876 8.0727 8.0727 8.5111 8.5111 8.7828 8.7828 9.2902 9.2902 9.4006 9.4006 9.8860 9.8860 10.2633 10.2633 10.3161 10.3161 k = 0.0000 0.0000 0.1318 ( 6571 PWs) bands (ev): -19.4822 -19.4822 -19.4734 -19.4734 -6.1742 -6.1742 -6.1103 -6.1103 -4.3458 -4.3458 -4.1356 -4.1356 -4.0570 -4.0570 -4.0313 -4.0313 -0.9640 -0.9640 -0.4637 -0.4637 3.0119 3.0119 3.0930 3.0930 3.3376 3.3376 3.4294 3.4294 3.5119 3.5119 3.6086 3.6086 3.9497 3.9497 4.0372 4.0372 4.0474 4.0474 4.1978 4.1978 5.6259 5.6259 7.2344 7.2344 7.9055 7.9055 8.0928 8.0928 8.4753 8.4753 8.7424 8.7424 9.3039 9.3039 9.4030 9.4030 9.9836 9.9836 10.2960 10.2960 10.3505 10.3505 k = 0.0000 0.0000 0.1464 ( 6577 PWs) bands (ev): -19.4818 -19.4818 -19.4738 -19.4738 -6.1711 -6.1711 -6.1130 -6.1130 -4.3376 -4.3376 -4.1468 -4.1468 -4.0559 -4.0559 -4.0324 -4.0324 -0.9408 -0.9408 -0.4863 -0.4863 3.0156 3.0156 3.0893 3.0893 3.3417 3.3417 3.4252 3.4252 3.5154 3.5154 3.6029 3.6029 3.9534 3.9534 4.0331 4.0331 4.0511 4.0511 4.1849 4.1849 5.6936 5.6936 7.1402 7.1402 7.9254 7.9254 8.1151 8.1151 8.4387 8.4387 8.7006 8.7006 9.3175 9.3175 9.4052 9.4052 10.0842 10.0842 10.3324 10.3324 10.3889 10.3889 k = 0.0000 0.0000 0.1611 ( 6590 PWs) bands (ev): -19.4814 -19.4814 -19.4743 -19.4743 -6.1677 -6.1677 -6.1160 -6.1160 -4.3286 -4.3286 -4.1586 -4.1586 -4.0546 -4.0546 -4.0337 -4.0337 -0.9159 -0.9159 -0.5107 -0.5107 3.0196 3.0196 3.0854 3.0854 3.3462 3.3462 3.4206 3.4206 3.5192 3.5192 3.5970 3.5970 3.9575 3.9575 4.0286 4.0286 4.0553 4.0553 4.1723 4.1723 5.7658 5.7658 7.0440 7.0440 7.9472 7.9472 8.1396 8.1396 8.4015 8.4015 8.6579 8.6579 9.3306 9.3306 9.4071 9.4071 10.1872 10.1872 10.3726 10.3726 10.4312 10.4312 k = 0.0000 0.0000 0.1757 ( 6578 PWs) bands (ev): -19.4809 -19.4809 -19.4747 -19.4747 -6.1642 -6.1642 -6.1191 -6.1191 -4.3190 -4.3190 -4.1709 -4.1709 -4.0533 -4.0533 -4.0351 -4.0351 -0.8895 -0.8895 -0.5365 -0.5365 3.0238 3.0238 3.0812 3.0812 3.3510 3.3510 3.4158 3.4158 3.5234 3.5234 3.5910 3.5910 3.9620 3.9620 4.0239 4.0239 4.0600 4.0600 4.1601 4.1601 5.8419 5.8419 6.9465 6.9465 7.9709 7.9709 8.1662 8.1662 8.3640 8.3640 8.6147 8.6147 9.3433 9.3433 9.4085 9.4085 10.2916 10.2916 10.4165 10.4165 10.4774 10.4774 k = 0.0000 0.0000 0.1903 ( 6578 PWs) bands (ev): -19.4805 -19.4805 -19.4752 -19.4752 -6.1606 -6.1606 -6.1224 -6.1224 -4.3087 -4.3087 -4.1836 -4.1836 -4.0519 -4.0519 -4.0365 -4.0365 -0.8619 -0.8619 -0.5637 -0.5637 3.0282 3.0282 3.0767 3.0767 3.3560 3.3560 3.4108 3.4108 3.5278 3.5278 3.5848 3.5848 3.9666 3.9666 4.0190 4.0190 4.0652 4.0652 4.1484 4.1484 5.9217 5.9217 6.8483 6.8483 7.9963 7.9963 8.1948 8.1948 8.3266 8.3266 8.5715 8.5715 9.3552 9.3552 9.4093 9.4093 10.3968 10.3968 10.4640 10.4640 10.5276 10.5276 k = 0.0000 0.0000 0.2050 ( 6566 PWs) bands (ev): -19.4799 -19.4799 -19.4757 -19.4757 -6.1568 -6.1568 -6.1259 -6.1259 -4.2977 -4.2977 -4.1966 -4.1966 -4.0504 -4.0504 -4.0379 -4.0379 -0.8332 -0.8332 -0.5920 -0.5920 3.0329 3.0329 3.0721 3.0721 3.3612 3.3612 3.4056 3.4056 3.5326 3.5326 3.5785 3.5785 3.9715 3.9715 4.0139 4.0139 4.0709 4.0709 4.1373 4.1373 6.0048 6.0048 6.7500 6.7500 8.0235 8.0235 8.2254 8.2254 8.2894 8.2894 8.5287 8.5287 9.3662 9.3662 9.4092 9.4092 10.5021 10.5021 10.5150 10.5150 10.5816 10.5816 k = 0.0000 0.0000 0.2196 ( 6584 PWs) bands (ev): -19.4794 -19.4794 -19.4762 -19.4762 -6.1529 -6.1529 -6.1296 -6.1296 -4.2862 -4.2862 -4.2098 -4.2098 -4.0489 -4.0489 -4.0395 -4.0395 -0.8037 -0.8037 -0.6212 -0.6212 3.0377 3.0377 3.0673 3.0673 3.3666 3.3666 3.4001 3.4001 3.5376 3.5376 3.5723 3.5723 3.9766 3.9766 4.0086 4.0086 4.0771 4.0771 4.1268 4.1268 6.0909 6.0909 6.6520 6.6520 8.0522 8.0522 8.2526 8.2526 8.2579 8.2579 8.4864 8.4864 9.3761 9.3761 9.4082 9.4082 10.5694 10.5694 10.6061 10.6061 10.6395 10.6395 k = 0.0000 0.0000 0.2343 ( 6590 PWs) bands (ev): -19.4789 -19.4789 -19.4767 -19.4767 -6.1490 -6.1490 -6.1333 -6.1333 -4.2743 -4.2743 -4.2230 -4.2230 -4.0474 -4.0474 -4.0410 -4.0410 -0.7735 -0.7735 -0.6511 -0.6511 3.0425 3.0425 3.0625 3.0625 3.3721 3.3721 3.3946 3.3946 3.5429 3.5429 3.5661 3.5661 3.9818 3.9818 4.0032 4.0032 4.0839 4.0839 4.1169 4.1169 6.1796 6.1796 6.5547 6.5547 8.0825 8.0825 8.2166 8.2166 8.2922 8.2922 8.4451 8.4451 9.3848 9.3848 9.4061 9.4061 10.6266 10.6266 10.7011 10.7011 10.7040 10.7040 k = 0.0000 0.0000 0.2489 ( 6602 PWs) bands (ev): -19.4784 -19.4784 -19.4773 -19.4773 -6.1450 -6.1450 -6.1372 -6.1372 -4.2619 -4.2619 -4.2361 -4.2361 -4.0458 -4.0458 -4.0426 -4.0426 -0.7429 -0.7429 -0.6815 -0.6815 3.0475 3.0475 3.0575 3.0575 3.3777 3.3777 3.3890 3.3890 3.5484 3.5484 3.5600 3.5600 3.9870 3.9870 3.9978 3.9978 4.0912 4.0912 4.1077 4.1077 6.2706 6.2706 6.4585 6.4585 8.1142 8.1142 8.1814 8.1814 8.3282 8.3282 8.4048 8.4048 9.3921 9.3921 9.4028 9.4028 10.6855 10.6855 10.7665 10.7665 10.7668 10.7668 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.4778 -19.4778 -19.4778 -19.4778 -6.1411 -6.1411 -6.1411 -6.1411 -4.2491 -4.2491 -4.2491 -4.2491 -4.0442 -4.0442 -4.0442 -4.0442 -0.7122 -0.7122 -0.7122 -0.7122 3.0525 3.0525 3.0525 3.0525 3.3833 3.3833 3.3833 3.3833 3.5541 3.5541 3.5541 3.5541 3.9924 3.9924 3.9924 3.9924 4.0991 4.0991 4.0991 4.0991 6.3637 6.3637 6.3637 6.3637 8.1472 8.1472 8.1472 8.1472 8.3658 8.3658 8.3658 8.3658 9.3981 9.3981 9.3981 9.3981 10.7416 10.7416 10.7416 10.7416 10.8355 10.8355 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.4778 -19.4778 -19.4778 -19.4778 -6.1411 -6.1411 -6.1411 -6.1411 -4.2491 -4.2491 -4.2491 -4.2491 -4.0442 -4.0442 -4.0442 -4.0442 -0.7122 -0.7122 -0.7122 -0.7122 3.0525 3.0525 3.0525 3.0525 3.3833 3.3833 3.3833 3.3833 3.5541 3.5541 3.5541 3.5541 3.9924 3.9924 3.9924 3.9924 4.0991 4.0991 4.0991 4.0991 6.3637 6.3637 6.3637 6.3637 8.1472 8.1472 8.1472 8.1472 8.3658 8.3658 8.3658 8.3658 9.3981 9.3981 9.3981 9.3981 10.7416 10.7416 10.7416 10.7416 10.8355 10.8355 k = 0.0132 0.0076 0.2635 ( 6614 PWs) bands (ev): -19.4778 -19.4778 -19.4778 -19.4778 -6.1412 -6.1412 -6.1412 -6.1412 -4.2491 -4.2491 -4.2491 -4.2491 -4.0445 -4.0445 -4.0445 -4.0445 -0.7116 -0.7116 -0.7116 -0.7116 3.0528 3.0528 3.0528 3.0528 3.3836 3.3836 3.3836 3.3836 3.5541 3.5541 3.5541 3.5541 3.9921 3.9921 3.9921 3.9921 4.0995 4.0995 4.0995 4.0995 6.3646 6.3646 6.3646 6.3646 8.1386 8.1386 8.1386 8.1386 8.3554 8.3554 8.3554 8.3554 9.4126 9.4126 9.4126 9.4126 10.7328 10.7328 10.7328 10.7328 10.8286 10.8286 k = 0.0263 0.0152 0.2635 ( 6612 PWs) bands (ev): -19.4777 -19.4777 -19.4777 -19.4777 -6.1414 -6.1414 -6.1414 -6.1414 -4.2491 -4.2491 -4.2491 -4.2491 -4.0454 -4.0454 -4.0454 -4.0454 -0.7098 -0.7098 -0.7098 -0.7098 3.0538 3.0538 3.0538 3.0538 3.3845 3.3845 3.3845 3.3845 3.5542 3.5542 3.5542 3.5542 3.9910 3.9910 3.9910 3.9910 4.1007 4.1007 4.1007 4.1007 6.3673 6.3673 6.3673 6.3673 8.1116 8.1116 8.1116 8.1116 8.3281 8.3281 8.3281 8.3281 9.4535 9.4535 9.4535 9.4535 10.7063 10.7063 10.7063 10.7063 10.8200 10.8200 k = 0.0395 0.0228 0.2635 ( 6608 PWs) bands (ev): -19.4777 -19.4777 -19.4777 -19.4777 -6.1417 -6.1417 -6.1417 -6.1417 -4.2490 -4.2490 -4.2490 -4.2490 -4.0470 -4.0470 -4.0470 -4.0470 -0.7068 -0.7068 -0.7068 -0.7068 3.0553 3.0553 3.0553 3.0553 3.3859 3.3859 3.3859 3.3859 3.5543 3.5543 3.5543 3.5543 3.9894 3.9894 3.9894 3.9894 4.1026 4.1026 4.1026 4.1026 6.3717 6.3717 6.3717 6.3717 8.0643 8.0643 8.0643 8.0643 8.2919 8.2919 8.2919 8.2919 9.5144 9.5144 9.5144 9.5144 10.6676 10.6676 10.6676 10.6676 10.8186 10.8186 k = 0.0526 0.0304 0.2635 ( 6612 PWs) bands (ev): -19.4775 -19.4775 -19.4775 -19.4775 -6.1422 -6.1422 -6.1422 -6.1422 -4.2489 -4.2489 -4.2489 -4.2489 -4.0491 -4.0491 -4.0491 -4.0491 -0.7025 -0.7025 -0.7025 -0.7025 3.0575 3.0575 3.0575 3.0575 3.3879 3.3879 3.3879 3.3879 3.5544 3.5544 3.5544 3.5544 3.9872 3.9872 3.9872 3.9872 4.1052 4.1052 4.1052 4.1052 6.3776 6.3776 6.3776 6.3776 7.9968 7.9968 7.9968 7.9968 8.2537 8.2537 8.2537 8.2537 9.5881 9.5881 9.5881 9.5881 10.6250 10.6250 10.6250 10.6250 10.8232 10.8232 k = 0.0658 0.0380 0.2635 ( 6616 PWs) bands (ev): -19.4773 -19.4773 -19.4773 -19.4773 -6.1429 -6.1429 -6.1429 -6.1429 -4.2488 -4.2488 -4.2488 -4.2488 -4.0518 -4.0518 -4.0518 -4.0518 -0.6972 -0.6972 -0.6972 -0.6972 3.0604 3.0604 3.0604 3.0604 3.3905 3.3905 3.3905 3.3905 3.5546 3.5546 3.5546 3.5546 3.9845 3.9845 3.9845 3.9845 4.1083 4.1083 4.1083 4.1083 6.3847 6.3847 6.3847 6.3847 7.9127 7.9127 7.9127 7.9127 8.2157 8.2157 8.2157 8.2157 9.6678 9.6678 9.6678 9.6678 10.5836 10.5836 10.5836 10.5836 10.8321 10.8321 k = 0.0789 0.0456 0.2635 ( 6610 PWs) bands (ev): -19.4771 -19.4771 -19.4771 -19.4771 -6.1437 -6.1437 -6.1437 -6.1437 -4.2487 -4.2487 -4.2487 -4.2487 -4.0550 -4.0550 -4.0550 -4.0550 -0.6907 -0.6907 -0.6907 -0.6907 3.0638 3.0638 3.0638 3.0638 3.3937 3.3937 3.3937 3.3937 3.5550 3.5550 3.5550 3.5550 3.9816 3.9816 3.9816 3.9816 4.1118 4.1118 4.1118 4.1118 6.3926 6.3926 6.3926 6.3926 7.8175 7.8175 7.8175 7.8175 8.1772 8.1772 8.1772 8.1772 9.7474 9.7474 9.7474 9.7474 10.5475 10.5475 10.5475 10.5475 10.8448 10.8448 k = 0.0921 0.0532 0.2635 ( 6604 PWs) bands (ev): -19.4769 -19.4769 -19.4769 -19.4769 -6.1446 -6.1446 -6.1446 -6.1446 -4.2486 -4.2486 -4.2486 -4.2486 -4.0587 -4.0587 -4.0587 -4.0587 -0.6832 -0.6832 -0.6832 -0.6832 3.0679 3.0679 3.0679 3.0679 3.3974 3.3974 3.3974 3.3974 3.5554 3.5554 3.5554 3.5554 3.9785 3.9785 3.9785 3.9785 4.1157 4.1157 4.1157 4.1157 6.4008 6.4008 6.4008 6.4008 7.7159 7.7159 7.7159 7.7159 8.1372 8.1372 8.1372 8.1372 9.8205 9.8205 9.8205 9.8205 10.5204 10.5204 10.5204 10.5204 10.8609 10.8609 k = 0.1053 0.0608 0.2635 ( 6596 PWs) bands (ev): -19.4766 -19.4766 -19.4766 -19.4766 -6.1456 -6.1456 -6.1456 -6.1456 -4.2485 -4.2485 -4.2485 -4.2485 -4.0628 -4.0628 -4.0628 -4.0628 -0.6747 -0.6747 -0.6747 -0.6747 3.0726 3.0726 3.0726 3.0726 3.4017 3.4017 3.4017 3.4017 3.5560 3.5560 3.5560 3.5560 3.9752 3.9752 3.9752 3.9752 4.1199 4.1199 4.1199 4.1199 6.4083 6.4083 6.4083 6.4083 7.6116 7.6116 7.6116 7.6116 8.0950 8.0950 8.0950 8.0950 9.8803 9.8803 9.8803 9.8803 10.5072 10.5072 10.5072 10.5072 10.8804 10.8804 k = 0.1184 0.0684 0.2635 ( 6592 PWs) bands (ev): -19.4763 -19.4763 -19.4763 -19.4763 -6.1468 -6.1468 -6.1468 -6.1468 -4.2484 -4.2484 -4.2484 -4.2484 -4.0674 -4.0674 -4.0674 -4.0674 -0.6652 -0.6652 -0.6652 -0.6652 3.0778 3.0778 3.0778 3.0778 3.4064 3.4064 3.4064 3.4064 3.5569 3.5569 3.5569 3.5569 3.9719 3.9719 3.9719 3.9719 4.1242 4.1242 4.1242 4.1242 6.4142 6.4142 6.4142 6.4142 7.5078 7.5078 7.5078 7.5078 8.0504 8.0504 8.0504 8.0504 9.9196 9.9196 9.9196 9.9196 10.5124 10.5124 10.5124 10.5124 10.9029 10.9029 k = 0.1316 0.0760 0.2635 ( 6588 PWs) bands (ev): -19.4760 -19.4760 -19.4760 -19.4760 -6.1481 -6.1481 -6.1481 -6.1481 -4.2484 -4.2484 -4.2484 -4.2484 -4.0722 -4.0722 -4.0722 -4.0722 -0.6548 -0.6548 -0.6548 -0.6548 3.0837 3.0837 3.0837 3.0837 3.4116 3.4116 3.4116 3.4116 3.5580 3.5580 3.5580 3.5580 3.9687 3.9687 3.9687 3.9687 4.1286 4.1286 4.1286 4.1286 6.4169 6.4169 6.4169 6.4169 7.4073 7.4073 7.4073 7.4073 8.0034 8.0034 8.0034 8.0034 9.9345 9.9345 9.9345 9.9345 10.5371 10.5371 10.5371 10.5371 10.9270 10.9270 k = 0.1447 0.0836 0.2635 ( 6600 PWs) bands (ev): -19.4756 -19.4756 -19.4756 -19.4756 -6.1494 -6.1494 -6.1494 -6.1494 -4.2484 -4.2484 -4.2484 -4.2484 -4.0773 -4.0773 -4.0773 -4.0773 -0.6437 -0.6437 -0.6437 -0.6437 3.0901 3.0901 3.0901 3.0901 3.4172 3.4172 3.4172 3.4172 3.5595 3.5595 3.5595 3.5595 3.9655 3.9655 3.9655 3.9655 4.1330 4.1330 4.1330 4.1330 6.4143 6.4143 6.4143 6.4143 7.3131 7.3131 7.3131 7.3131 7.9544 7.9544 7.9544 7.9544 9.9264 9.9264 9.9264 9.9264 10.5750 10.5750 10.5750 10.5750 10.9430 10.9430 k = 0.1579 0.0912 0.2635 ( 6588 PWs) bands (ev): -19.4753 -19.4753 -19.4753 -19.4753 -6.1509 -6.1509 -6.1509 -6.1509 -4.2486 -4.2486 -4.2486 -4.2486 -4.0826 -4.0826 -4.0826 -4.0826 -0.6317 -0.6317 -0.6317 -0.6317 3.0971 3.0971 3.0971 3.0971 3.4232 3.4232 3.4232 3.4232 3.5614 3.5614 3.5614 3.5614 3.9625 3.9625 3.9625 3.9625 4.1375 4.1375 4.1375 4.1375 6.4037 6.4037 6.4037 6.4037 7.2284 7.2284 7.2284 7.2284 7.9036 7.9036 7.9036 7.9036 9.9006 9.9006 9.9006 9.9006 10.6138 10.6138 10.6138 10.6138 10.9516 10.9516 k = 0.1711 0.0988 0.2635 ( 6588 PWs) bands (ev): -19.4749 -19.4749 -19.4749 -19.4749 -6.1525 -6.1525 -6.1525 -6.1525 -4.2488 -4.2488 -4.2488 -4.2488 -4.0880 -4.0880 -4.0880 -4.0880 -0.6192 -0.6192 -0.6192 -0.6192 3.1048 3.1048 3.1048 3.1048 3.4294 3.4294 3.4294 3.4294 3.5638 3.5638 3.5638 3.5638 3.9596 3.9596 3.9596 3.9596 4.1419 4.1419 4.1419 4.1419 6.3822 6.3822 6.3822 6.3822 7.1567 7.1567 7.1567 7.1567 7.8514 7.8514 7.8514 7.8514 9.8625 9.8625 9.8625 9.8625 10.6401 10.6401 10.6401 10.6401 10.9806 10.9806 k = 0.1842 0.1064 0.2635 ( 6596 PWs) bands (ev): -19.4744 -19.4744 -19.4744 -19.4744 -6.1542 -6.1542 -6.1542 -6.1542 -4.2492 -4.2492 -4.2492 -4.2492 -4.0935 -4.0935 -4.0935 -4.0935 -0.6061 -0.6061 -0.6061 -0.6061 3.1130 3.1130 3.1130 3.1130 3.4357 3.4357 3.4357 3.4357 3.5668 3.5668 3.5668 3.5668 3.9570 3.9570 3.9570 3.9570 4.1462 4.1462 4.1462 4.1462 6.3471 6.3471 6.3471 6.3471 7.1008 7.1008 7.1008 7.1008 7.7981 7.7981 7.7981 7.7981 9.8167 9.8167 9.8167 9.8167 10.6492 10.6492 10.6492 10.6492 11.0346 11.0346 k = 0.1974 0.1140 0.2635 ( 6604 PWs) bands (ev): -19.4740 -19.4740 -19.4740 -19.4740 -6.1560 -6.1560 -6.1560 -6.1560 -4.2498 -4.2498 -4.2498 -4.2498 -4.0989 -4.0989 -4.0989 -4.0989 -0.5924 -0.5924 -0.5924 -0.5924 3.1219 3.1219 3.1219 3.1219 3.4420 3.4420 3.4420 3.4420 3.5706 3.5706 3.5706 3.5706 3.9545 3.9545 3.9545 3.9545 4.1504 4.1504 4.1504 4.1504 6.2973 6.2973 6.2973 6.2973 7.0621 7.0621 7.0621 7.0621 7.7443 7.7443 7.7443 7.7443 9.7660 9.7660 9.7660 9.7660 10.6458 10.6458 10.6458 10.6458 11.1009 11.1009 k = 0.2105 0.1215 0.2635 ( 6618 PWs) bands (ev): -19.4735 -19.4735 -19.4735 -19.4735 -6.1578 -6.1578 -6.1578 -6.1578 -4.2505 -4.2505 -4.2505 -4.2505 -4.1042 -4.1042 -4.1042 -4.1042 -0.5784 -0.5784 -0.5784 -0.5784 3.1313 3.1313 3.1313 3.1313 3.4482 3.4482 3.4482 3.4482 3.5751 3.5751 3.5751 3.5751 3.9523 3.9523 3.9523 3.9523 4.1543 4.1543 4.1543 4.1543 6.2337 6.2337 6.2337 6.2337 7.0397 7.0397 7.0397 7.0397 7.6904 7.6904 7.6904 7.6904 9.7127 9.7127 9.7127 9.7127 10.6362 10.6362 10.6362 10.6362 11.1620 11.1620 k = 0.2237 0.1291 0.2635 ( 6626 PWs) bands (ev): -19.4731 -19.4731 -19.4731 -19.4731 -6.1596 -6.1596 -6.1596 -6.1596 -4.2515 -4.2515 -4.2515 -4.2515 -4.1094 -4.1094 -4.1094 -4.1094 -0.5641 -0.5641 -0.5641 -0.5641 3.1414 3.1414 3.1414 3.1414 3.4542 3.4542 3.4542 3.4542 3.5807 3.5807 3.5807 3.5807 3.9504 3.9504 3.9504 3.9504 4.1581 4.1581 4.1581 4.1581 6.1588 6.1588 6.1588 6.1588 7.0310 7.0310 7.0310 7.0310 7.6368 7.6368 7.6368 7.6368 9.6583 9.6583 9.6583 9.6583 10.6244 10.6244 10.6244 10.6244 11.2188 11.2188 k = 0.2368 0.1367 0.2635 ( 6622 PWs) bands (ev): -19.4726 -19.4726 -19.4726 -19.4726 -6.1616 -6.1616 -6.1616 -6.1616 -4.2527 -4.2527 -4.2527 -4.2527 -4.1143 -4.1143 -4.1143 -4.1143 -0.5497 -0.5497 -0.5497 -0.5497 3.1522 3.1522 3.1522 3.1522 3.4597 3.4597 3.4597 3.4597 3.5873 3.5873 3.5873 3.5873 3.9487 3.9487 3.9487 3.9487 4.1617 4.1617 4.1617 4.1617 6.0758 6.0758 6.0758 6.0758 7.0327 7.0327 7.0327 7.0327 7.5841 7.5841 7.5841 7.5841 9.6039 9.6039 9.6039 9.6039 10.6122 10.6122 10.6122 10.6122 11.2765 11.2765 k = 0.2500 0.1443 0.2635 ( 6610 PWs) bands (ev): -19.4721 -19.4721 -19.4721 -19.4721 -6.1635 -6.1635 -6.1635 -6.1635 -4.2542 -4.2542 -4.2542 -4.2542 -4.1189 -4.1189 -4.1189 -4.1189 -0.5350 -0.5350 -0.5350 -0.5350 3.1637 3.1637 3.1637 3.1637 3.4648 3.4648 3.4648 3.4648 3.5951 3.5951 3.5951 3.5951 3.9473 3.9473 3.9473 3.9473 4.1650 4.1650 4.1650 4.1650 5.9876 5.9876 5.9876 5.9876 7.0417 7.0417 7.0417 7.0417 7.5329 7.5329 7.5329 7.5329 9.5504 9.5504 9.5504 9.5504 10.6004 10.6004 10.6004 10.6004 11.3365 11.3365 k = 0.2632 0.1519 0.2635 ( 6628 PWs) bands (ev): -19.4717 -19.4717 -19.4717 -19.4717 -6.1655 -6.1655 -6.1655 -6.1655 -4.2559 -4.2559 -4.2559 -4.2559 -4.1232 -4.1232 -4.1232 -4.1232 -0.5204 -0.5204 -0.5204 -0.5204 3.1757 3.1757 3.1757 3.1757 3.4693 3.4693 3.4693 3.4693 3.6039 3.6039 3.6039 3.6039 3.9462 3.9462 3.9462 3.9462 4.1679 4.1679 4.1679 4.1679 5.8965 5.8965 5.8965 5.8965 7.0550 7.0550 7.0550 7.0550 7.4840 7.4840 7.4840 7.4840 9.4987 9.4987 9.4987 9.4987 10.5893 10.5893 10.5893 10.5893 11.3993 11.3993 k = 0.2763 0.1595 0.2635 ( 6636 PWs) bands (ev): -19.4712 -19.4712 -19.4712 -19.4712 -6.1674 -6.1674 -6.1674 -6.1674 -4.2579 -4.2579 -4.2579 -4.2579 -4.1271 -4.1271 -4.1271 -4.1271 -0.5059 -0.5059 -0.5059 -0.5059 3.1884 3.1884 3.1884 3.1884 3.4732 3.4732 3.4732 3.4732 3.6138 3.6138 3.6138 3.6138 3.9453 3.9453 3.9453 3.9453 4.1705 4.1705 4.1705 4.1705 5.8043 5.8043 5.8043 5.8043 7.0701 7.0701 7.0701 7.0701 7.4385 7.4385 7.4385 7.4385 9.4493 9.4493 9.4493 9.4493 10.5788 10.5788 10.5788 10.5788 11.4647 11.4647 k = 0.2895 0.1671 0.2635 ( 6632 PWs) bands (ev): -19.4708 -19.4708 -19.4708 -19.4708 -6.1694 -6.1694 -6.1694 -6.1694 -4.2602 -4.2602 -4.2602 -4.2602 -4.1305 -4.1305 -4.1305 -4.1305 -0.4916 -0.4916 -0.4916 -0.4916 3.2018 3.2018 3.2018 3.2018 3.4765 3.4765 3.4765 3.4765 3.6248 3.6248 3.6248 3.6248 3.9447 3.9447 3.9447 3.9447 4.1728 4.1728 4.1728 4.1728 5.7123 5.7123 5.7123 5.7123 7.0843 7.0843 7.0843 7.0843 7.3980 7.3980 7.3980 7.3980 9.4027 9.4027 9.4027 9.4027 10.5687 10.5687 10.5687 10.5687 11.5328 11.5328 k = 0.3026 0.1747 0.2635 ( 6622 PWs) bands (ev): -19.4703 -19.4703 -19.4703 -19.4703 -6.1713 -6.1713 -6.1713 -6.1713 -4.2626 -4.2626 -4.2626 -4.2626 -4.1336 -4.1336 -4.1336 -4.1336 -0.4775 -0.4775 -0.4775 -0.4775 3.2157 3.2157 3.2157 3.2157 3.4792 3.4792 3.4792 3.4792 3.6367 3.6367 3.6367 3.6367 3.9444 3.9444 3.9444 3.9444 4.1746 4.1746 4.1746 4.1746 5.6215 5.6215 5.6215 5.6215 7.0943 7.0943 7.0943 7.0943 7.3649 7.3649 7.3649 7.3649 9.3593 9.3593 9.3593 9.3593 10.5586 10.5586 10.5586 10.5586 11.6034 11.6034 k = 0.3158 0.1823 0.2635 ( 6616 PWs) bands (ev): -19.4699 -19.4699 -19.4699 -19.4699 -6.1732 -6.1732 -6.1732 -6.1732 -4.2653 -4.2653 -4.2653 -4.2653 -4.1362 -4.1362 -4.1362 -4.1362 -0.4638 -0.4638 -0.4638 -0.4638 3.2301 3.2301 3.2301 3.2301 3.4813 3.4813 3.4813 3.4813 3.6495 3.6495 3.6495 3.6495 3.9443 3.9443 3.9443 3.9443 4.1760 4.1760 4.1760 4.1760 5.5328 5.5328 5.5328 5.5328 7.0967 7.0967 7.0967 7.0967 7.3420 7.3420 7.3420 7.3420 9.3194 9.3194 9.3194 9.3194 10.5484 10.5484 10.5484 10.5484 11.6763 11.6763 k = 0.3289 0.1899 0.2635 ( 6616 PWs) bands (ev): -19.4694 -19.4694 -19.4694 -19.4694 -6.1750 -6.1750 -6.1750 -6.1750 -4.2681 -4.2681 -4.2681 -4.2681 -4.1385 -4.1385 -4.1385 -4.1385 -0.4506 -0.4506 -0.4506 -0.4506 3.2450 3.2450 3.2450 3.2450 3.4830 3.4830 3.4830 3.4830 3.6628 3.6628 3.6628 3.6628 3.9446 3.9446 3.9446 3.9446 4.1768 4.1768 4.1768 4.1768 5.4468 5.4468 5.4468 5.4468 7.0890 7.0890 7.0890 7.0890 7.3314 7.3314 7.3314 7.3314 9.2833 9.2833 9.2833 9.2833 10.5379 10.5379 10.5379 10.5379 11.7513 11.7513 k = 0.3421 0.1975 0.2635 ( 6616 PWs) bands (ev): -19.4690 -19.4690 -19.4690 -19.4690 -6.1768 -6.1768 -6.1768 -6.1768 -4.2710 -4.2710 -4.2710 -4.2710 -4.1404 -4.1404 -4.1404 -4.1404 -0.4379 -0.4379 -0.4379 -0.4379 3.2603 3.2603 3.2603 3.2603 3.4842 3.4842 3.4842 3.4842 3.6767 3.6767 3.6767 3.6767 3.9451 3.9451 3.9451 3.9451 4.1770 4.1770 4.1770 4.1770 5.3641 5.3641 5.3641 5.3641 7.0718 7.0718 7.0718 7.0718 7.3322 7.3322 7.3322 7.3322 9.2510 9.2510 9.2510 9.2510 10.5267 10.5267 10.5267 10.5267 11.8281 11.8281 k = 0.3553 0.2051 0.2635 ( 6632 PWs) bands (ev): -19.4687 -19.4687 -19.4687 -19.4687 -6.1785 -6.1785 -6.1785 -6.1785 -4.2739 -4.2739 -4.2739 -4.2739 -4.1419 -4.1419 -4.1419 -4.1419 -0.4259 -0.4259 -0.4259 -0.4259 3.2757 3.2757 3.2757 3.2757 3.4850 3.4850 3.4850 3.4850 3.6910 3.6910 3.6910 3.6910 3.9459 3.9459 3.9459 3.9459 4.1767 4.1767 4.1767 4.1767 5.2852 5.2852 5.2852 5.2852 7.0480 7.0480 7.0480 7.0480 7.3412 7.3412 7.3412 7.3412 9.2226 9.2226 9.2226 9.2226 10.5149 10.5149 10.5149 10.5149 11.9065 11.9065 k = 0.3684 0.2127 0.2635 ( 6624 PWs) bands (ev): -19.4683 -19.4683 -19.4683 -19.4683 -6.1800 -6.1800 -6.1800 -6.1800 -4.2767 -4.2767 -4.2767 -4.2767 -4.1432 -4.1432 -4.1432 -4.1432 -0.4146 -0.4146 -0.4146 -0.4146 3.2912 3.2912 3.2912 3.2912 3.4854 3.4854 3.4854 3.4854 3.7054 3.7054 3.7054 3.7054 3.9470 3.9470 3.9470 3.9470 4.1757 4.1757 4.1757 4.1757 5.2106 5.2106 5.2106 5.2106 7.0209 7.0209 7.0209 7.0209 7.3549 7.3549 7.3549 7.3549 9.1982 9.1982 9.1982 9.1982 10.5024 10.5024 10.5024 10.5024 11.9861 11.9861 k = 0.3816 0.2203 0.2635 ( 6624 PWs) bands (ev): -19.4680 -19.4680 -19.4680 -19.4680 -6.1815 -6.1815 -6.1815 -6.1815 -4.2795 -4.2795 -4.2795 -4.2795 -4.1442 -4.1442 -4.1442 -4.1442 -0.4041 -0.4041 -0.4041 -0.4041 3.3066 3.3066 3.3066 3.3066 3.4854 3.4854 3.4854 3.4854 3.7199 3.7199 3.7199 3.7199 3.9484 3.9484 3.9484 3.9484 4.1739 4.1739 4.1739 4.1739 5.1408 5.1408 5.1408 5.1408 6.9931 6.9931 6.9931 6.9931 7.3705 7.3705 7.3705 7.3705 9.1775 9.1775 9.1775 9.1775 10.4894 10.4894 10.4894 10.4894 12.0667 12.0667 k = 0.3947 0.2279 0.2635 ( 6628 PWs) bands (ev): -19.4677 -19.4677 -19.4677 -19.4677 -6.1829 -6.1829 -6.1829 -6.1829 -4.2822 -4.2822 -4.2822 -4.2822 -4.1450 -4.1450 -4.1450 -4.1450 -0.3945 -0.3945 -0.3945 -0.3945 3.3217 3.3217 3.3217 3.3217 3.4851 3.4851 3.4851 3.4851 3.7342 3.7342 3.7342 3.7342 3.9502 3.9502 3.9502 3.9502 4.1714 4.1714 4.1714 4.1714 5.0764 5.0764 5.0764 5.0764 6.9662 6.9662 6.9662 6.9662 7.3865 7.3865 7.3865 7.3865 9.1605 9.1605 9.1605 9.1605 10.4762 10.4762 10.4762 10.4762 12.1478 12.1478 k = 0.4079 0.2355 0.2635 ( 6622 PWs) bands (ev): -19.4674 -19.4674 -19.4674 -19.4674 -6.1841 -6.1841 -6.1841 -6.1841 -4.2846 -4.2846 -4.2846 -4.2846 -4.1456 -4.1456 -4.1456 -4.1456 -0.3859 -0.3859 -0.3859 -0.3859 3.3361 3.3361 3.3361 3.3361 3.4846 3.4846 3.4846 3.4846 3.7481 3.7481 3.7481 3.7481 3.9523 3.9523 3.9523 3.9523 4.1683 4.1683 4.1683 4.1683 5.0178 5.0178 5.0178 5.0178 6.9410 6.9410 6.9410 6.9410 7.4018 7.4018 7.4018 7.4018 9.1467 9.1467 9.1467 9.1467 10.4629 10.4629 10.4629 10.4629 12.2289 12.2289 k = 0.4211 0.2431 0.2635 ( 6618 PWs) bands (ev): -19.4671 -19.4671 -19.4671 -19.4671 -6.1852 -6.1852 -6.1852 -6.1852 -4.2868 -4.2868 -4.2868 -4.2868 -4.1460 -4.1460 -4.1460 -4.1460 -0.3782 -0.3782 -0.3782 -0.3782 3.3497 3.3497 3.3497 3.3497 3.4837 3.4837 3.4837 3.4837 3.7613 3.7613 3.7613 3.7613 3.9548 3.9548 3.9548 3.9548 4.1644 4.1644 4.1644 4.1644 4.9657 4.9657 4.9657 4.9657 6.9183 6.9183 6.9183 6.9183 7.4158 7.4158 7.4158 7.4158 9.1360 9.1360 9.1360 9.1360 10.4501 10.4501 10.4501 10.4501 12.3095 12.3095 k = 0.4342 0.2507 0.2635 ( 6610 PWs) bands (ev): -19.4669 -19.4669 -19.4669 -19.4669 -6.1861 -6.1861 -6.1861 -6.1861 -4.2888 -4.2888 -4.2888 -4.2888 -4.1463 -4.1463 -4.1463 -4.1463 -0.3717 -0.3717 -0.3717 -0.3717 3.3622 3.3622 3.3622 3.3622 3.4826 3.4826 3.4826 3.4826 3.7735 3.7735 3.7735 3.7735 3.9575 3.9575 3.9575 3.9575 4.1601 4.1601 4.1601 4.1601 4.9204 4.9204 4.9204 4.9204 6.8985 6.8985 6.8985 6.8985 7.4281 7.4281 7.4281 7.4281 9.1279 9.1279 9.1279 9.1279 10.4381 10.4381 10.4381 10.4381 12.3887 12.3887 k = 0.4474 0.2583 0.2635 ( 6618 PWs) bands (ev): -19.4668 -19.4668 -19.4668 -19.4668 -6.1869 -6.1869 -6.1869 -6.1869 -4.2904 -4.2904 -4.2904 -4.2904 -4.1466 -4.1466 -4.1466 -4.1466 -0.3663 -0.3663 -0.3663 -0.3663 3.3731 3.3731 3.3731 3.3731 3.4814 3.4814 3.4814 3.4814 3.7842 3.7842 3.7842 3.7842 3.9604 3.9604 3.9604 3.9604 4.1555 4.1555 4.1555 4.1555 4.8825 4.8825 4.8825 4.8825 6.8819 6.8819 6.8819 6.8819 7.4383 7.4383 7.4383 7.4383 9.1220 9.1220 9.1220 9.1220 10.4275 10.4275 10.4275 10.4275 12.4654 12.4654 k = 0.4605 0.2659 0.2635 ( 6612 PWs) bands (ev): -19.4666 -19.4666 -19.4666 -19.4666 -6.1875 -6.1875 -6.1875 -6.1875 -4.2917 -4.2917 -4.2917 -4.2917 -4.1467 -4.1467 -4.1467 -4.1467 -0.3620 -0.3620 -0.3620 -0.3620 3.3822 3.3822 3.3822 3.3822 3.4801 3.4801 3.4801 3.4801 3.7930 3.7930 3.7930 3.7930 3.9632 3.9632 3.9632 3.9632 4.1510 4.1510 4.1510 4.1510 4.8525 4.8525 4.8525 4.8525 6.8689 6.8689 6.8689 6.8689 7.4464 7.4464 7.4464 7.4464 9.1180 9.1180 9.1180 9.1180 10.4186 10.4186 10.4186 10.4186 12.5379 12.5379 k = 0.4737 0.2735 0.2635 ( 6606 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1879 -6.1879 -6.1879 -6.1879 -4.2927 -4.2927 -4.2927 -4.2927 -4.1469 -4.1469 -4.1469 -4.1469 -0.3589 -0.3589 -0.3589 -0.3589 3.3890 3.3890 3.3890 3.3890 3.4790 3.4790 3.4790 3.4790 3.7997 3.7997 3.7997 3.7997 3.9656 3.9656 3.9656 3.9656 4.1473 4.1473 4.1473 4.1473 4.8308 4.8308 4.8308 4.8308 6.8594 6.8594 6.8594 6.8594 7.4523 7.4523 7.4523 7.4523 9.1153 9.1153 9.1153 9.1153 10.4120 10.4120 10.4120 10.4120 12.6028 12.6028 k = 0.4868 0.2811 0.2635 ( 6608 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1882 -6.1882 -6.1882 -6.1882 -4.2932 -4.2932 -4.2932 -4.2932 -4.1469 -4.1469 -4.1469 -4.1469 -0.3571 -0.3571 -0.3571 -0.3571 3.3933 3.3933 3.3933 3.3933 3.4782 3.4782 3.4782 3.4782 3.8038 3.8038 3.8038 3.8038 3.9673 3.9673 3.9673 3.9673 4.1447 4.1447 4.1447 4.1447 4.8177 4.8177 4.8177 4.8177 6.8537 6.8537 6.8537 6.8537 7.4558 7.4558 7.4558 7.4558 9.1139 9.1139 9.1139 9.1139 10.4079 10.4079 10.4079 10.4079 12.6526 12.6526 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1883 -6.1883 -6.1883 -6.1883 -4.2934 -4.2934 -4.2934 -4.2934 -4.1469 -4.1469 -4.1469 -4.1469 -0.3564 -0.3564 -0.3564 -0.3564 3.3948 3.3948 3.3948 3.3948 3.4779 3.4779 3.4779 3.4779 3.8052 3.8052 3.8052 3.8052 3.9679 3.9679 3.9679 3.9679 4.1438 4.1438 4.1438 4.1438 4.8133 4.8133 4.8133 4.8133 6.8518 6.8518 6.8518 6.8518 7.4569 7.4569 7.4569 7.4569 9.1134 9.1134 9.1134 9.1134 10.4065 10.4065 10.4065 10.4065 12.6729 12.6729 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1883 -6.1883 -6.1883 -6.1883 -4.2934 -4.2934 -4.2934 -4.2934 -4.1469 -4.1469 -4.1469 -4.1469 -0.3564 -0.3564 -0.3564 -0.3564 3.3948 3.3948 3.3948 3.3948 3.4779 3.4779 3.4779 3.4779 3.8052 3.8052 3.8052 3.8052 3.9679 3.9679 3.9679 3.9679 4.1438 4.1438 4.1438 4.1438 4.8133 4.8133 4.8133 4.8133 6.8518 6.8518 6.8518 6.8518 7.4569 7.4569 7.4569 7.4569 9.1134 9.1134 9.1134 9.1134 10.4065 10.4065 10.4065 10.4065 12.6729 12.6729 k = 0.4924 0.3018 0.2635 ( 6608 PWs) bands (ev): -19.4664 -19.4664 -19.4664 -19.4664 -6.1885 -6.1885 -6.1881 -6.1881 -4.2938 -4.2938 -4.2927 -4.2927 -4.1474 -4.1474 -4.1469 -4.1469 -0.3583 -0.3583 -0.3541 -0.3541 3.3919 3.3919 3.3976 3.3976 3.4656 3.4656 3.4908 3.4908 3.7983 3.7983 3.8123 3.8123 3.9649 3.9649 3.9703 3.9703 4.1387 4.1387 4.1502 4.1502 4.8130 4.8130 4.8143 4.8143 6.8419 6.8419 6.8513 6.8513 7.4563 7.4563 7.4572 7.4572 9.1136 9.1136 9.1175 9.1175 10.4098 10.4098 10.4164 10.4164 12.6504 12.6511 k = 0.4848 0.3149 0.2635 ( 6620 PWs) bands (ev): -19.4664 -19.4664 -19.4664 -19.4664 -6.1887 -6.1887 -6.1880 -6.1880 -4.2939 -4.2939 -4.2918 -4.2918 -4.1484 -4.1484 -4.1475 -4.1475 -0.3596 -0.3596 -0.3513 -0.3513 3.3888 3.3888 3.4002 3.4002 3.4539 3.4539 3.5042 3.5042 3.7918 3.7918 3.8194 3.8194 3.9616 3.9616 3.9722 3.9722 4.1349 4.1349 4.1579 4.1579 4.8135 4.8135 4.8160 4.8160 6.8218 6.8218 6.8406 6.8406 7.4553 7.4553 7.4570 7.4570 9.1180 9.1180 9.1258 9.1258 10.4264 10.4264 10.4394 10.4394 12.6090 12.6096 k = 0.4773 0.3280 0.2635 ( 6626 PWs) bands (ev): -19.4664 -19.4664 -19.4664 -19.4664 -6.1890 -6.1890 -6.1879 -6.1879 -4.2938 -4.2938 -4.2905 -4.2905 -4.1499 -4.1499 -4.1485 -4.1485 -0.3604 -0.3604 -0.3480 -0.3480 3.3857 3.3857 3.4025 3.4025 3.4431 3.4431 3.5179 3.5179 3.7858 3.7858 3.8263 3.8263 3.9580 3.9580 3.9733 3.9733 4.1324 4.1324 4.1669 4.1669 4.8147 4.8147 4.8184 4.8184 6.7920 6.7920 6.8202 6.8202 7.4541 7.4541 7.4565 7.4565 9.1263 9.1263 9.1378 9.1378 10.4559 10.4559 10.4753 10.4753 12.5588 12.5591 k = 0.4697 0.3412 0.2635 ( 6622 PWs) bands (ev): -19.4664 -19.4664 -19.4664 -19.4664 -6.1893 -6.1893 -6.1878 -6.1878 -4.2933 -4.2933 -4.2890 -4.2890 -4.1519 -4.1519 -4.1501 -4.1501 -0.3607 -0.3607 -0.3442 -0.3442 3.3825 3.3825 3.4042 3.4042 3.4336 3.4336 3.5320 3.5320 3.7805 3.7805 3.8329 3.8329 3.9543 3.9543 3.9737 3.9737 4.1311 4.1311 4.1772 4.1772 4.8168 4.8168 4.8214 4.8214 6.7533 6.7533 6.7909 6.7909 7.4528 7.4528 7.4557 7.4557 9.1378 9.1378 9.1531 9.1531 10.4977 10.4977 10.5233 10.5233 12.4975 12.4976 k = 0.4621 0.3543 0.2635 ( 6630 PWs) bands (ev): -19.4663 -19.4663 -19.4663 -19.4663 -6.1897 -6.1897 -6.1878 -6.1878 -4.2927 -4.2927 -4.2872 -4.2872 -4.1543 -4.1543 -4.1521 -4.1521 -0.3605 -0.3605 -0.3401 -0.3401 3.3793 3.3793 3.4045 3.4045 3.4260 3.4260 3.5462 3.5462 3.7759 3.7759 3.8390 3.8390 3.9508 3.9508 3.9733 3.9733 4.1309 4.1309 4.1887 4.1887 4.8196 4.8196 4.8249 4.8249 6.7068 6.7068 6.7539 6.7539 7.4516 7.4516 7.4548 7.4548 9.1521 9.1521 9.1710 9.1710 10.5509 10.5509 10.5827 10.5827 12.4354 12.4356 k = 0.4545 0.3674 0.2635 ( 6618 PWs) bands (ev): -19.4662 -19.4662 -19.4662 -19.4662 -6.1900 -6.1900 -6.1878 -6.1878 -4.2917 -4.2917 -4.2852 -4.2852 -4.1572 -4.1572 -4.1546 -4.1546 -0.3598 -0.3598 -0.3356 -0.3356 3.3761 3.3761 3.4023 3.4023 3.4216 3.4216 3.5605 3.5605 3.7723 3.7723 3.8445 3.8445 3.9475 3.9475 3.9722 3.9722 4.1318 4.1318 4.2013 4.2013 4.8232 4.8232 4.8289 4.8289 6.6538 6.6538 6.7103 6.7103 7.4505 7.4505 7.4538 7.4538 9.1684 9.1684 9.1908 9.1908 10.6145 10.6145 10.6523 10.6523 12.3748 12.3749 k = 0.4470 0.3805 0.2635 ( 6626 PWs) bands (ev): -19.4662 -19.4662 -19.4662 -19.4662 -6.1904 -6.1904 -6.1878 -6.1878 -4.2905 -4.2905 -4.2829 -4.2829 -4.1604 -4.1604 -4.1576 -4.1576 -0.3588 -0.3588 -0.3308 -0.3308 3.3728 3.3728 3.3975 3.3975 3.4203 3.4203 3.5747 3.5747 3.7695 3.7695 3.8491 3.8491 3.9445 3.9445 3.9704 3.9704 4.1336 4.1336 4.2149 4.2149 4.8275 4.8275 4.8333 4.8333 6.5955 6.5955 6.6614 6.6614 7.4495 7.4495 7.4528 7.4528 9.1861 9.1861 9.2120 9.2120 10.6871 10.6871 10.7310 10.7310 12.3166 12.3166 k = 0.4394 0.3936 0.2635 ( 6622 PWs) bands (ev): -19.4661 -19.4661 -19.4661 -19.4661 -6.1908 -6.1908 -6.1879 -6.1879 -4.2891 -4.2891 -4.2804 -4.2804 -4.1639 -4.1639 -4.1609 -4.1609 -0.3573 -0.3573 -0.3257 -0.3257 3.3695 3.3695 3.3916 3.3916 3.4207 3.4207 3.5889 3.5889 3.7677 3.7677 3.8528 3.8528 3.9421 3.9421 3.9679 3.9679 4.1361 4.1361 4.2294 4.2294 4.8326 4.8326 4.8380 4.8380 6.5332 6.5332 6.6087 6.6087 7.4487 7.4487 7.4518 7.4518 9.2048 9.2048 9.2341 9.2341 10.7673 10.7673 10.8173 10.8173 12.2617 12.2618 k = 0.4318 0.4068 0.2635 ( 6618 PWs) bands (ev): -19.4660 -19.4660 -19.4660 -19.4660 -6.1912 -6.1912 -6.1880 -6.1880 -4.2875 -4.2875 -4.2776 -4.2776 -4.1677 -4.1677 -4.1646 -4.1646 -0.3555 -0.3555 -0.3205 -0.3205 3.3663 3.3663 3.3860 3.3860 3.4216 3.4216 3.6028 3.6028 3.7669 3.7669 3.8554 3.8554 3.9404 3.9404 3.9648 3.9648 4.1392 4.1392 4.2446 4.2446 4.8384 4.8384 4.8429 4.8429 6.4682 6.4682 6.5534 6.5534 7.4480 7.4480 7.4510 7.4510 9.2240 9.2240 9.2566 9.2566 10.8533 10.8533 10.9096 10.9096 12.2109 12.2109 k = 0.4242 0.4199 0.2635 ( 6602 PWs) bands (ev): -19.4659 -19.4659 -19.4659 -19.4659 -6.1916 -6.1916 -6.1881 -6.1881 -4.2857 -4.2857 -4.2747 -4.2747 -4.1717 -4.1717 -4.1686 -4.1686 -0.3534 -0.3534 -0.3152 -0.3152 3.3631 3.3631 3.3809 3.3809 3.4225 3.4225 3.6166 3.6166 3.7670 3.7670 3.8571 3.8571 3.9393 3.9393 3.9612 3.9612 4.1429 4.1429 4.2605 4.2605 4.8447 4.8447 4.8478 4.8478 6.4017 6.4017 6.4968 6.4968 7.4475 7.4475 7.4503 7.4503 9.2432 9.2432 9.2792 9.2792 10.9433 10.9433 11.0061 11.0061 12.1646 12.1646 k = 0.4167 0.4330 0.2635 ( 6608 PWs) bands (ev): -19.4658 -19.4658 -19.4658 -19.4658 -6.1920 -6.1920 -6.1883 -6.1883 -4.2838 -4.2838 -4.2715 -4.2715 -4.1758 -4.1758 -4.1729 -4.1729 -0.3511 -0.3511 -0.3099 -0.3099 3.3599 3.3599 3.3766 3.3766 3.4232 3.4232 3.6301 3.6301 3.7678 3.7678 3.8578 3.8578 3.9389 3.9389 3.9571 3.9571 4.1468 4.1468 4.2766 4.2766 4.8515 4.8515 4.8526 4.8526 6.3349 6.3349 6.4401 6.4401 7.4471 7.4471 7.4496 7.4496 9.2622 9.2622 9.3013 9.3013 11.0353 11.0353 11.1051 11.1051 12.1235 12.1235 k = 0.4091 0.4461 0.2635 ( 6600 PWs) bands (ev): -19.4657 -19.4657 -19.4657 -19.4657 -6.1924 -6.1924 -6.1884 -6.1884 -4.2817 -4.2817 -4.2682 -4.2682 -4.1801 -4.1801 -4.1774 -4.1774 -0.3486 -0.3486 -0.3046 -0.3046 3.3569 3.3569 3.3731 3.3731 3.4235 3.4235 3.6433 3.6433 3.7693 3.7693 3.8578 3.8578 3.9391 3.9391 3.9526 3.9526 4.1510 4.1510 4.2930 4.2930 4.8572 4.8572 4.8586 4.8586 6.2690 6.2690 6.3844 6.3844 7.4469 7.4469 7.4490 7.4490 9.2807 9.2807 9.3228 9.3228 11.1271 11.1271 11.2043 11.2043 12.0881 12.0881 k = 0.4015 0.4593 0.2635 ( 6596 PWs) bands (ev): -19.4656 -19.4656 -19.4656 -19.4656 -6.1929 -6.1929 -6.1886 -6.1886 -4.2796 -4.2796 -4.2647 -4.2647 -4.1843 -4.1843 -4.1821 -4.1821 -0.3460 -0.3460 -0.2994 -0.2994 3.3540 3.3540 3.3706 3.3706 3.4235 3.4235 3.6563 3.6563 3.7712 3.7712 3.8571 3.8571 3.9398 3.9398 3.9479 3.9479 4.1552 4.1552 4.3092 4.3092 4.8613 4.8613 4.8658 4.8658 6.2051 6.2051 6.3309 6.3309 7.4467 7.4467 7.4486 7.4486 9.2983 9.2983 9.3433 9.3433 11.2167 11.2167 11.3017 11.3017 12.0589 12.0589 k = 0.3939 0.4724 0.2635 ( 6594 PWs) bands (ev): -19.4655 -19.4655 -19.4655 -19.4655 -6.1933 -6.1933 -6.1888 -6.1888 -4.2774 -4.2774 -4.2611 -4.2611 -4.1885 -4.1885 -4.1869 -4.1869 -0.3434 -0.3434 -0.2945 -0.2945 3.3513 3.3513 3.3690 3.3690 3.4231 3.4231 3.6690 3.6690 3.7733 3.7733 3.8559 3.8559 3.9407 3.9407 3.9429 3.9429 4.1594 4.1594 4.3251 4.3251 4.8649 4.8649 4.8729 4.8729 6.1441 6.1441 6.2805 6.2805 7.4466 7.4466 7.4482 7.4482 9.3148 9.3148 9.3624 9.3624 11.3021 11.3021 11.3951 11.3951 12.0362 12.0362 k = 0.3864 0.4855 0.2635 ( 6594 PWs) bands (ev): -19.4654 -19.4654 -19.4654 -19.4654 -6.1936 -6.1936 -6.1890 -6.1890 -4.2752 -4.2752 -4.2573 -4.2573 -4.1926 -4.1926 -4.1918 -4.1918 -0.3408 -0.3408 -0.2898 -0.2898 3.3489 3.3489 3.3683 3.3683 3.4221 3.4221 3.6815 3.6815 3.7754 3.7754 3.8545 3.8545 3.9378 3.9378 3.9419 3.9419 4.1634 4.1634 4.3403 4.3403 4.8677 4.8677 4.8796 4.8796 6.0873 6.0873 6.2341 6.2341 7.4465 7.4465 7.4478 7.4478 9.3299 9.3299 9.3799 9.3799 11.3813 11.3813 11.4824 11.4824 12.0201 12.0201 k = 0.3788 0.4986 0.2635 ( 6598 PWs) bands (ev): -19.4653 -19.4653 -19.4653 -19.4653 -6.1940 -6.1940 -6.1892 -6.1892 -4.2732 -4.2732 -4.2536 -4.2536 -4.1967 -4.1967 -4.1964 -4.1964 -0.3383 -0.3383 -0.2855 -0.2855 3.3468 3.3468 3.3685 3.3685 3.4207 3.4207 3.6936 3.6936 3.7772 3.7772 3.8530 3.8530 3.9326 3.9326 3.9431 3.9431 4.1672 4.1672 4.3546 4.3546 4.8697 4.8697 4.8855 4.8855 6.0357 6.0357 6.1924 6.1924 7.4465 7.4465 7.4475 7.4475 9.3433 9.3433 9.3955 9.3955 11.4533 11.4533 11.5622 11.5622 12.0092 12.0103 k = 0.3712 0.5117 0.2635 ( 6592 PWs) bands (ev): -19.4652 -19.4652 -19.4652 -19.4652 -6.1943 -6.1943 -6.1894 -6.1894 -4.2712 -4.2712 -4.2498 -4.2498 -4.2015 -4.2015 -4.1998 -4.1998 -0.3361 -0.3361 -0.2817 -0.2817 3.3450 3.3450 3.3696 3.3696 3.4189 3.4189 3.7054 3.7054 3.7784 3.7784 3.8515 3.8515 3.9276 3.9276 3.9444 3.9444 4.1705 4.1705 4.3676 4.3676 4.8708 4.8708 4.8905 4.8905 5.9902 5.9902 6.1563 6.1563 7.4465 7.4465 7.4473 7.4473 9.3549 9.3549 9.4090 9.4090 11.5173 11.5173 11.6335 11.6335 11.9981 11.9981 k = 0.3636 0.5249 0.2635 ( 6604 PWs) bands (ev): -19.4652 -19.4652 -19.4652 -19.4652 -6.1946 -6.1946 -6.1896 -6.1896 -4.2695 -4.2695 -4.2460 -4.2460 -4.2061 -4.2061 -4.2028 -4.2028 -0.3341 -0.3341 -0.2785 -0.2785 3.3435 3.3435 3.3713 3.3713 3.4166 3.4166 3.7166 3.7166 3.7790 3.7790 3.8501 3.8501 3.9229 3.9229 3.9455 3.9455 4.1733 4.1733 4.3792 4.3792 4.8710 4.8710 4.8941 4.8941 5.9519 5.9519 6.1263 6.1263 7.4466 7.4466 7.4471 7.4471 9.3645 9.3645 9.4201 9.4201 11.5733 11.5733 11.6966 11.6966 11.9882 11.9882 k = 0.3561 0.5380 0.2635 ( 6608 PWs) bands (ev): -19.4651 -19.4651 -19.4651 -19.4651 -6.1948 -6.1948 -6.1897 -6.1897 -4.2681 -4.2681 -4.2424 -4.2424 -4.2104 -4.2104 -4.2053 -4.2053 -0.3324 -0.3324 -0.2758 -0.2758 3.3423 3.3423 3.3736 3.3736 3.4140 3.4140 3.7268 3.7268 3.7787 3.7787 3.8490 3.8490 3.9187 3.9187 3.9465 3.9465 4.1756 4.1756 4.3888 4.3888 4.8705 4.8705 4.8963 4.8963 5.9214 5.9214 6.1027 6.1027 7.4466 7.4466 7.4470 7.4470 9.3719 9.3719 9.4287 9.4287 11.6215 11.6215 11.7526 11.7526 11.9767 11.9767 k = 0.3485 0.5511 0.2635 ( 6608 PWs) bands (ev): -19.4651 -19.4651 -19.4651 -19.4651 -6.1950 -6.1950 -6.1898 -6.1898 -4.2670 -4.2670 -4.2391 -4.2391 -4.2142 -4.2142 -4.2071 -4.2071 -0.3311 -0.3311 -0.2738 -0.2738 3.3415 3.3415 3.3762 3.3762 3.4114 3.4114 3.7356 3.7356 3.7778 3.7778 3.8482 3.8482 3.9154 3.9154 3.9473 3.9473 4.1772 4.1772 4.3961 4.3961 4.8696 4.8696 4.8972 4.8972 5.8994 5.8994 6.0859 6.0859 7.4467 7.4467 7.4469 7.4469 9.3771 9.3771 9.4348 9.4348 11.6614 11.6614 11.8030 11.8030 11.9622 11.9622 k = 0.3409 0.5642 0.2635 ( 6608 PWs) bands (ev): -19.4650 -19.4650 -19.4650 -19.4650 -6.1951 -6.1951 -6.1899 -6.1899 -4.2664 -4.2664 -4.2367 -4.2367 -4.2169 -4.2169 -4.2082 -4.2082 -0.3303 -0.3303 -0.2726 -0.2726 3.3411 3.3411 3.3783 3.3783 3.4093 3.4093 3.7418 3.7418 3.7766 3.7766 3.8476 3.8476 3.9131 3.9131 3.9478 3.9478 4.1782 4.1782 4.4008 4.4008 4.8687 4.8687 4.8972 4.8972 5.8863 5.8863 6.0759 6.0759 7.4467 7.4467 7.4469 7.4469 9.3802 9.3802 9.4384 9.4384 11.6903 11.6903 11.8481 11.8481 11.9470 11.9470 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.4650 -19.4650 -19.4650 -19.4650 -6.1952 -6.1952 -6.1899 -6.1899 -4.2662 -4.2662 -4.2357 -4.2357 -4.2180 -4.2180 -4.2086 -4.2086 -0.3300 -0.3300 -0.2722 -0.2722 3.3410 3.3410 3.3793 3.3793 3.4084 3.4084 3.7442 3.7442 3.7761 3.7761 3.8475 3.8475 3.9123 3.9123 3.9481 3.9481 4.1785 4.1785 4.4024 4.4024 4.8683 4.8683 4.8971 4.8971 5.8820 5.8820 6.0726 6.0726 7.4468 7.4468 7.4469 7.4469 9.3812 9.3812 9.4395 9.4395 11.7017 11.7017 11.8742 11.8742 11.9395 11.9395 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.4650 -19.4650 -19.4650 -19.4650 -6.1952 -6.1952 -6.1899 -6.1899 -4.2662 -4.2662 -4.2357 -4.2357 -4.2180 -4.2180 -4.2086 -4.2086 -0.3300 -0.3300 -0.2722 -0.2722 3.3410 3.3410 3.3793 3.3793 3.4084 3.4084 3.7442 3.7442 3.7761 3.7761 3.8475 3.8475 3.9123 3.9123 3.9481 3.9481 4.1785 4.1785 4.4024 4.4024 4.8683 4.8683 4.8971 4.8971 5.8820 5.8820 6.0726 6.0726 7.4468 7.4468 7.4469 7.4469 9.3812 9.3812 9.4395 9.4395 11.7017 11.7017 11.8742 11.8742 11.9395 11.9395 k = 0.3258 0.5642 0.2635 ( 6612 PWs) bands (ev): -19.4650 -19.4650 -19.4650 -19.4650 -6.1951 -6.1951 -6.1899 -6.1899 -4.2664 -4.2664 -4.2366 -4.2366 -4.2170 -4.2170 -4.2082 -4.2082 -0.3303 -0.3303 -0.2726 -0.2726 3.3411 3.3411 3.3781 3.3781 3.4095 3.4095 3.7418 3.7418 3.7765 3.7765 3.8476 3.8476 3.9132 3.9132 3.9478 3.9478 4.1782 4.1782 4.4007 4.4007 4.8689 4.8689 4.8976 4.8976 5.8861 5.8861 6.0758 6.0758 7.4467 7.4467 7.4469 7.4469 9.3803 9.3803 9.4385 9.4385 11.6892 11.6892 11.8437 11.8437 11.9492 11.9492 k = 0.3182 0.5511 0.2635 ( 6596 PWs) bands (ev): -19.4651 -19.4651 -19.4651 -19.4651 -6.1950 -6.1950 -6.1898 -6.1898 -4.2669 -4.2669 -4.2388 -4.2388 -4.2145 -4.2145 -4.2072 -4.2072 -0.3312 -0.3312 -0.2740 -0.2740 3.3414 3.3414 3.3747 3.3747 3.4127 3.4127 3.7353 3.7353 3.7770 3.7770 3.8482 3.8482 3.9159 3.9159 3.9471 3.9471 4.1775 4.1775 4.3954 4.3954 4.8713 4.8713 4.8998 4.8998 5.8983 5.8983 6.0851 6.0851 7.4466 7.4466 7.4469 7.4469 9.3777 9.3777 9.4355 9.4355 11.6548 11.6548 11.7862 11.7862 11.9769 11.9769 k = 0.3106 0.5380 0.2635 ( 6608 PWs) bands (ev): -19.4651 -19.4651 -19.4651 -19.4651 -6.1948 -6.1948 -6.1896 -6.1896 -4.2676 -4.2676 -4.2414 -4.2414 -4.2112 -4.2112 -4.2057 -4.2057 -0.3328 -0.3328 -0.2762 -0.2762 3.3418 3.3418 3.3694 3.3694 3.4173 3.4173 3.7256 3.7256 3.7765 3.7765 3.8490 3.8490 3.9201 3.9201 3.9458 3.9458 4.1763 4.1763 4.3866 4.3866 4.8762 4.8762 4.9049 4.9049 5.9178 5.9178 6.1002 6.1002 7.4464 7.4464 7.4468 7.4468 9.3739 9.3739 9.4309 9.4309 11.6064 11.6064 11.7211 11.7211 12.0166 12.0166 k = 0.3030 0.5249 0.2635 ( 6616 PWs) bands (ev): -19.4652 -19.4652 -19.4652 -19.4652 -6.1944 -6.1944 -6.1894 -6.1894 -4.2684 -4.2684 -4.2441 -4.2441 -4.2076 -4.2076 -4.2036 -4.2036 -0.3352 -0.3352 -0.2794 -0.2794 3.3423 3.3423 3.3629 3.3629 3.4227 3.4227 3.7136 3.7136 3.7743 3.7743 3.8502 3.8502 3.9255 3.9255 3.9437 3.9437 4.1751 4.1751 4.3746 4.3746 4.8840 4.8840 4.9135 4.9135 5.9439 5.9439 6.1204 6.1204 7.4459 7.4459 7.4468 7.4468 9.3692 9.3692 9.4252 9.4252 11.5505 11.5505 11.6529 11.6529 12.0625 12.0625 k = 0.2955 0.5117 0.2635 ( 6608 PWs) bands (ev): -19.4653 -19.4653 -19.4653 -19.4653 -6.1940 -6.1940 -6.1890 -6.1890 -4.2692 -4.2692 -4.2467 -4.2467 -4.2039 -4.2039 -4.2013 -4.2013 -0.3382 -0.3382 -0.2836 -0.2836 3.3427 3.3427 3.3555 3.3555 3.4284 3.4284 3.6997 3.6997 3.7704 3.7704 3.8516 3.8516 3.9317 3.9317 3.9408 3.9408 4.1739 4.1739 4.3598 4.3598 4.8956 4.8956 4.9263 4.9263 5.9756 5.9756 6.1454 6.1454 7.4453 7.4453 7.4466 7.4466 9.3640 9.3640 9.4188 9.4188 11.4905 11.4905 11.5834 11.5834 12.1091 12.1091 k = 0.2879 0.4986 0.2635 ( 6604 PWs) bands (ev): -19.4654 -19.4654 -19.4654 -19.4654 -6.1935 -6.1935 -6.1886 -6.1886 -4.2700 -4.2700 -4.2490 -4.2490 -4.2001 -4.2001 -4.1986 -4.1986 -0.3420 -0.3420 -0.2888 -0.2888 3.3429 3.3429 3.3474 3.3474 3.4343 3.4343 3.6843 3.6843 3.7651 3.7651 3.8531 3.8531 3.9369 3.9369 3.9380 3.9380 4.1730 4.1730 4.3430 4.3430 4.9113 4.9113 4.9437 4.9437 6.0123 6.0123 6.1745 6.1745 7.4444 7.4444 7.4463 7.4463 9.3588 9.3588 9.4122 9.4122 11.4286 11.4286 11.5136 11.5136 12.1487 12.1487 k = 0.2803 0.4855 0.2635 ( 6594 PWs) bands (ev): -19.4656 -19.4656 -19.4656 -19.4656 -6.1928 -6.1928 -6.1881 -6.1881 -4.2706 -4.2706 -4.2511 -4.2511 -4.1963 -4.1963 -4.1957 -4.1957 -0.3466 -0.3466 -0.2950 -0.2950 3.3387 3.3387 3.3427 3.3427 3.4400 3.4400 3.6678 3.6678 3.7583 3.7583 3.8544 3.8544 3.9321 3.9321 3.9439 3.9439 4.1725 4.1725 4.3250 4.3250 4.9316 4.9316 4.9659 4.9659 6.0533 6.0533 6.2073 6.2073 7.4431 7.4431 7.4458 7.4458 9.3541 9.3541 9.4059 9.4059 11.3660 11.3660 11.4443 11.4443 12.1679 12.1679 k = 0.2727 0.4724 0.2635 ( 6598 PWs) bands (ev): -19.4658 -19.4658 -19.4658 -19.4658 -6.1920 -6.1920 -6.1875 -6.1875 -4.2711 -4.2711 -4.2528 -4.2528 -4.1926 -4.1926 -4.1925 -4.1925 -0.3520 -0.3520 -0.3021 -0.3021 3.3294 3.3294 3.3420 3.3420 3.4454 3.4454 3.6505 3.6505 3.7505 3.7505 3.8553 3.8553 3.9263 3.9263 3.9490 3.9490 4.1725 4.1725 4.3067 4.3067 4.9568 4.9568 4.9929 4.9929 6.0979 6.0979 6.2432 6.2432 7.4414 7.4414 7.4452 7.4452 9.3503 9.3503 9.4005 9.4005 11.3034 11.3034 11.3759 11.3759 12.1568 12.1568 k = 0.2652 0.4593 0.2635 ( 6602 PWs) bands (ev): -19.4660 -19.4660 -19.4660 -19.4660 -6.1911 -6.1911 -6.1867 -6.1867 -4.2713 -4.2713 -4.2543 -4.2543 -4.1894 -4.1894 -4.1887 -4.1887 -0.3582 -0.3582 -0.3102 -0.3102 3.3197 3.3197 3.3405 3.3405 3.4504 3.4504 3.6327 3.6327 3.7418 3.7418 3.8551 3.8551 3.9199 3.9199 3.9531 3.9531 4.1731 4.1731 4.2888 4.2888 4.9871 4.9871 5.0248 5.0248 6.1454 6.1454 6.2818 6.2818 7.4393 7.4393 7.4443 7.4443 9.3480 9.3480 9.3964 9.3964 11.2414 11.2414 11.3087 11.3087 12.1201 12.1201 k = 0.2576 0.4461 0.2635 ( 6606 PWs) bands (ev): -19.4662 -19.4662 -19.4662 -19.4662 -6.1901 -6.1901 -6.1859 -6.1859 -4.2713 -4.2713 -4.2554 -4.2554 -4.1861 -4.1861 -4.1849 -4.1849 -0.3651 -0.3651 -0.3192 -0.3192 3.3096 3.3096 3.3381 3.3381 3.4550 3.4550 3.6149 3.6149 3.7323 3.7323 3.8530 3.8530 3.9137 3.9137 3.9561 3.9561 4.1741 4.1741 4.2719 4.2719 5.0226 5.0226 5.0616 5.0616 6.1955 6.1955 6.3226 6.3226 7.4367 7.4367 7.4433 7.4433 9.3477 9.3477 9.3942 9.3942 11.1805 11.1805 11.2429 11.2429 12.0661 12.0661 k = 0.2500 0.4330 0.2635 ( 6632 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1890 -6.1890 -6.1849 -6.1849 -4.2711 -4.2711 -4.2563 -4.2563 -4.1827 -4.1827 -4.1812 -4.1812 -0.3728 -0.3728 -0.3291 -0.3291 3.2992 3.2992 3.3345 3.3345 3.4589 3.4589 3.5975 3.5975 3.7223 3.7223 3.8478 3.8478 3.9088 3.9088 3.9580 3.9580 4.1755 4.1755 4.2564 4.2564 5.0634 5.0634 5.1030 5.1030 6.2474 6.2474 6.3651 6.3651 7.4336 7.4336 7.4421 7.4421 9.3497 9.3497 9.3943 9.3943 11.1207 11.1207 11.1787 11.1787 12.0007 12.0007 k = 0.2424 0.4199 0.2635 ( 6612 PWs) bands (ev): -19.4667 -19.4667 -19.4667 -19.4667 -6.1877 -6.1877 -6.1839 -6.1839 -4.2706 -4.2706 -4.2568 -4.2568 -4.1793 -4.1793 -4.1775 -4.1775 -0.3813 -0.3813 -0.3398 -0.3398 3.2886 3.2886 3.3296 3.3296 3.4624 3.4624 3.5809 3.5809 3.7119 3.7119 3.8388 3.8388 3.9060 3.9060 3.9591 3.9591 4.1772 4.1772 4.2426 4.2426 5.1095 5.1095 5.1492 5.1492 6.3008 6.3008 6.4087 6.4087 7.4300 7.4300 7.4409 7.4409 9.3546 9.3546 9.3973 9.3973 11.0625 11.0625 11.1163 11.1163 11.9278 11.9278 k = 0.2348 0.4068 0.2635 ( 6616 PWs) bands (ev): -19.4670 -19.4670 -19.4670 -19.4670 -6.1863 -6.1863 -6.1827 -6.1827 -4.2699 -4.2699 -4.2570 -4.2570 -4.1757 -4.1757 -4.1737 -4.1737 -0.3905 -0.3905 -0.3513 -0.3513 3.2777 3.2777 3.3232 3.3232 3.4654 3.4654 3.5653 3.5653 3.7012 3.7012 3.8260 3.8260 3.9054 3.9054 3.9593 3.9593 4.1789 4.1789 4.2306 4.2306 5.1607 5.1607 5.2000 5.2000 6.3552 6.3552 6.4530 6.4530 7.4262 7.4262 7.4398 7.4398 9.3627 9.3627 9.4034 9.4034 11.0060 11.0060 11.0558 11.0558 11.8500 11.8500 k = 0.2273 0.3936 0.2635 ( 6618 PWs) bands (ev): -19.4674 -19.4674 -19.4674 -19.4674 -6.1849 -6.1849 -6.1814 -6.1814 -4.2689 -4.2689 -4.2570 -4.2570 -4.1721 -4.1721 -4.1700 -4.1700 -0.4003 -0.4003 -0.3636 -0.3636 3.2668 3.2668 3.3152 3.3152 3.4677 3.4677 3.5511 3.5511 3.6903 3.6903 3.8101 3.8101 3.9065 3.9065 3.9588 3.9588 4.1804 4.1804 4.2203 4.2203 5.2169 5.2169 5.2552 5.2552 6.4101 6.4101 6.4975 6.4975 7.4221 7.4221 7.4391 7.4391 9.3743 9.3743 9.4131 9.4131 10.9513 10.9513 10.9974 10.9974 11.7693 11.7693 k = 0.2197 0.3805 0.2635 ( 6610 PWs) bands (ev): -19.4677 -19.4677 -19.4677 -19.4677 -6.1833 -6.1833 -6.1800 -6.1800 -4.2678 -4.2678 -4.2568 -4.2568 -4.1684 -4.1684 -4.1662 -4.1662 -0.4109 -0.4109 -0.3766 -0.3766 3.2557 3.2557 3.3057 3.3057 3.4696 3.4696 3.5384 3.5384 3.6794 3.6794 3.7922 3.7922 3.9086 3.9086 3.9579 3.9579 4.1817 4.1817 4.2115 4.2115 5.2779 5.2779 5.3148 5.3148 6.4650 6.4650 6.5415 6.5415 7.4182 7.4182 7.4391 7.4391 9.3898 9.3898 9.4267 9.4267 10.8986 10.8986 10.9411 10.9411 11.6871 11.6871 k = 0.2121 0.3674 0.2635 ( 6622 PWs) bands (ev): -19.4681 -19.4681 -19.4681 -19.4681 -6.1816 -6.1816 -6.1786 -6.1786 -4.2665 -4.2665 -4.2564 -4.2564 -4.1645 -4.1645 -4.1623 -4.1623 -0.4220 -0.4220 -0.3902 -0.3902 3.2446 3.2446 3.2946 3.2946 3.4710 3.4710 3.5272 3.5272 3.6685 3.6685 3.7730 3.7730 3.9113 3.9113 3.9567 3.9567 4.1826 4.1826 4.2040 4.2040 5.3435 5.3435 5.3786 5.3786 6.5192 6.5192 6.5845 6.5845 7.4147 7.4147 7.4403 7.4403 9.4094 9.4094 9.4445 9.4445 10.8480 10.8480 10.8870 10.8870 11.6047 11.6047 k = 0.2045 0.3543 0.2635 ( 6628 PWs) bands (ev): -19.4685 -19.4685 -19.4685 -19.4685 -6.1798 -6.1798 -6.1770 -6.1770 -4.2651 -4.2651 -4.2558 -4.2558 -4.1606 -4.1606 -4.1584 -4.1584 -0.4337 -0.4337 -0.4043 -0.4043 3.2335 3.2335 3.2823 3.2823 3.4719 3.4719 3.5174 3.5174 3.6578 3.6578 3.7530 3.7530 3.9145 3.9145 3.9553 3.9553 4.1831 4.1831 4.1975 4.1975 5.4133 5.4133 5.4462 5.4462 6.5723 6.5723 6.6257 6.6257 7.4124 7.4124 7.4432 7.4432 9.4332 9.4332 9.4666 9.4666 10.7996 10.7996 10.8353 10.8353 11.5227 11.5227 k = 0.1970 0.3412 0.2635 ( 6632 PWs) bands (ev): -19.4689 -19.4689 -19.4689 -19.4689 -6.1780 -6.1780 -6.1754 -6.1754 -4.2636 -4.2636 -4.2551 -4.2551 -4.1565 -4.1565 -4.1543 -4.1543 -0.4460 -0.4460 -0.4190 -0.4190 3.2225 3.2225 3.2691 3.2691 3.4724 3.4724 3.5088 3.5088 3.6474 3.6474 3.7328 3.7328 3.9178 3.9178 3.9539 3.9539 4.1831 4.1831 4.1918 4.1918 5.4872 5.4872 5.5176 5.5176 6.6234 6.6234 6.6646 6.6646 7.4117 7.4117 7.4485 7.4485 9.4613 9.4613 9.4931 9.4931 10.7536 10.7536 10.7861 10.7861 11.4419 11.4419 k = 0.1894 0.3280 0.2635 ( 6632 PWs) bands (ev): -19.4694 -19.4694 -19.4694 -19.4694 -6.1761 -6.1761 -6.1737 -6.1737 -4.2620 -4.2620 -4.2543 -4.2543 -4.1522 -4.1522 -4.1501 -4.1501 -0.4586 -0.4586 -0.4340 -0.4340 3.2116 3.2116 3.2551 3.2551 3.4724 3.4724 3.5011 3.5011 3.6374 3.6374 3.7127 3.7127 3.9213 3.9213 3.9526 3.9526 4.1826 4.1826 4.1868 4.1868 5.5645 5.5645 5.5923 5.5923 6.6717 6.6717 6.7003 6.7003 7.4137 7.4137 7.4569 7.4569 9.4938 9.4938 9.5241 9.5241 10.7100 10.7100 10.7394 10.7394 11.3627 11.3627 k = 0.1818 0.3149 0.2635 ( 6624 PWs) bands (ev): -19.4698 -19.4698 -19.4698 -19.4698 -6.1741 -6.1741 -6.1720 -6.1720 -4.2605 -4.2605 -4.2535 -4.2535 -4.1478 -4.1478 -4.1458 -4.1458 -0.4717 -0.4717 -0.4494 -0.4494 3.2009 3.2009 3.2408 3.2408 3.4721 3.4721 3.4941 3.4941 3.6278 3.6278 3.6932 3.6932 3.9247 3.9247 3.9514 3.9514 4.1817 4.1817 4.1822 4.1822 5.6451 5.6451 5.6699 5.6699 6.7166 6.7166 6.7324 6.7324 7.4194 7.4194 7.4693 7.4693 9.5305 9.5305 9.5595 9.5595 10.6690 10.6690 10.6954 10.6954 11.2856 11.2856 k = 0.1742 0.3018 0.2635 ( 6624 PWs) bands (ev): -19.4703 -19.4703 -19.4703 -19.4703 -6.1721 -6.1721 -6.1702 -6.1702 -4.2589 -4.2589 -4.2526 -4.2526 -4.1431 -4.1431 -4.1413 -4.1413 -0.4852 -0.4852 -0.4650 -0.4650 3.1904 3.1904 3.2263 3.2263 3.4712 3.4712 3.4877 3.4877 3.6187 3.6187 3.6743 3.6743 3.9282 3.9282 3.9504 3.9504 4.1780 4.1780 4.1802 4.1802 5.7282 5.7282 5.7499 5.7499 6.7573 6.7573 6.7605 6.7605 7.4297 7.4297 7.4862 7.4862 9.5714 9.5714 9.5993 9.5993 10.6307 10.6307 10.6542 10.6542 11.2107 11.2107 k = 0.1667 0.2887 0.2635 ( 6612 PWs) bands (ev): -19.4707 -19.4707 -19.4707 -19.4707 -6.1701 -6.1701 -6.1683 -6.1683 -4.2574 -4.2574 -4.2518 -4.2518 -4.1383 -4.1383 -4.1366 -4.1366 -0.4988 -0.4988 -0.4808 -0.4808 3.1801 3.1801 3.2120 3.2120 3.4700 3.4700 3.4815 3.4815 3.6103 3.6103 3.6565 3.6565 3.9316 3.9316 3.9497 3.9497 4.1740 4.1740 4.1783 4.1783 5.8134 5.8134 5.8316 5.8316 6.7846 6.7846 6.7933 6.7933 7.4456 7.4456 7.5080 7.5080 9.6162 9.6162 9.6432 9.6432 10.5953 10.5953 10.6158 10.6158 11.1383 11.1383 k = 0.1591 0.2756 0.2635 ( 6624 PWs) bands (ev): -19.4712 -19.4712 -19.4712 -19.4712 -6.1681 -6.1681 -6.1665 -6.1665 -4.2560 -4.2560 -4.2510 -4.2510 -4.1333 -4.1333 -4.1317 -4.1317 -0.5127 -0.5127 -0.4968 -0.4968 3.1701 3.1701 3.1979 3.1979 3.4681 3.4681 3.4753 3.4753 3.6026 3.6026 3.6399 3.6399 3.9349 3.9349 3.9492 3.9492 4.1701 4.1701 4.1760 4.1760 5.8996 5.8996 5.9143 5.9143 6.8052 6.8052 6.8247 6.8247 7.4678 7.4678 7.5351 7.5351 9.6645 9.6645 9.6908 9.6908 10.5629 10.5629 10.5806 10.5806 11.0685 11.0685 k = 0.1515 0.2624 0.2635 ( 6622 PWs) bands (ev): -19.4717 -19.4717 -19.4717 -19.4717 -6.1660 -6.1660 -6.1646 -6.1646 -4.2547 -4.2547 -4.2503 -4.2503 -4.1281 -4.1281 -4.1266 -4.1266 -0.5267 -0.5267 -0.5127 -0.5127 3.1603 3.1603 3.1843 3.1843 3.4657 3.4657 3.4692 3.4692 3.5955 3.5955 3.6247 3.6247 3.9382 3.9382 3.9491 3.9491 4.1662 4.1662 4.1732 4.1732 5.9859 5.9859 5.9967 5.9967 6.8234 6.8234 6.8522 6.8522 7.4965 7.4965 7.5671 7.5671 9.7159 9.7159 9.7418 9.7418 10.5337 10.5337 10.5485 10.5485 11.0016 11.0016 k = 0.1439 0.2493 0.2635 ( 6610 PWs) bands (ev): -19.4721 -19.4721 -19.4721 -19.4721 -6.1640 -6.1640 -6.1627 -6.1627 -4.2535 -4.2535 -4.2497 -4.2497 -4.1227 -4.1227 -4.1213 -4.1213 -0.5408 -0.5408 -0.5285 -0.5285 3.1509 3.1509 3.1713 3.1713 3.4627 3.4627 3.4631 3.4631 3.5892 3.5892 3.6111 3.6111 3.9414 3.9414 3.9493 3.9493 4.1624 4.1624 4.1700 4.1700 6.0705 6.0705 6.0774 6.0774 6.8410 6.8410 6.8776 6.8776 7.5314 7.5314 7.6037 7.6037 9.7696 9.7696 9.7954 9.7954 10.5079 10.5079 10.5197 10.5197 10.9378 10.9378 k = 0.1364 0.2362 0.2635 ( 6602 PWs) bands (ev): -19.4726 -19.4726 -19.4726 -19.4726 -6.1620 -6.1620 -6.1609 -6.1609 -4.2524 -4.2524 -4.2491 -4.2491 -4.1172 -4.1172 -4.1159 -4.1159 -0.5548 -0.5548 -0.5442 -0.5442 3.1417 3.1417 3.1589 3.1589 3.4569 3.4569 3.4590 3.4590 3.5837 3.5837 3.5992 3.5992 3.9446 3.9446 3.9500 3.9500 4.1586 4.1586 4.1665 4.1665 6.1515 6.1515 6.1543 6.1543 6.8605 6.8605 6.9034 6.9034 7.5719 7.5719 7.6443 7.6443 9.8248 9.8248 9.8508 9.8508 10.4858 10.4858 10.4945 10.4945 10.8773 10.8773 k = 0.1288 0.2231 0.2635 ( 6606 PWs) bands (ev): -19.4731 -19.4731 -19.4731 -19.4731 -6.1600 -6.1600 -6.1591 -6.1591 -4.2515 -4.2515 -4.2487 -4.2487 -4.1115 -4.1115 -4.1104 -4.1104 -0.5687 -0.5687 -0.5597 -0.5597 3.1329 3.1329 3.1471 3.1471 3.4506 3.4506 3.4546 3.4546 3.5787 3.5787 3.5890 3.5890 3.9477 3.9477 3.9510 3.9510 4.1547 4.1547 4.1627 4.1627 6.2249 6.2249 6.2260 6.2260 6.8853 6.8853 6.9327 6.9327 7.6169 7.6169 7.6882 7.6882 9.8800 9.8800 9.9066 9.9066 10.4675 10.4675 10.4729 10.4729 10.8205 10.8206 k = 0.1212 0.2099 0.2635 ( 6606 PWs) bands (ev): -19.4736 -19.4736 -19.4736 -19.4736 -6.1581 -6.1581 -6.1573 -6.1573 -4.2507 -4.2507 -4.2484 -4.2484 -4.1058 -4.1058 -4.1048 -4.1048 -0.5825 -0.5825 -0.5748 -0.5748 3.1245 3.1245 3.1360 3.1360 3.4444 3.4444 3.4494 3.4494 3.5744 3.5744 3.5805 3.5805 3.9508 3.9508 3.9524 3.9524 4.1508 4.1508 4.1586 4.1586 6.2866 6.2866 6.2908 6.2908 6.9191 6.9191 6.9692 6.9692 7.6656 7.6656 7.7345 7.7345 9.9333 9.9333 9.9611 9.9611 10.4536 10.4536 10.4551 10.4551 10.7685 10.7685 k = 0.1136 0.1968 0.2635 ( 6604 PWs) bands (ev): -19.4740 -19.4740 -19.4740 -19.4740 -6.1562 -6.1562 -6.1555 -6.1555 -4.2501 -4.2501 -4.2481 -4.2481 -4.1000 -4.1000 -4.0992 -4.0992 -0.5959 -0.5959 -0.5895 -0.5895 3.1164 3.1164 3.1257 3.1257 3.4381 3.4381 3.4438 3.4438 3.5707 3.5707 3.5736 3.5736 3.9539 3.9539 3.9541 3.9541 4.1468 4.1468 4.1542 4.1542 6.3367 6.3367 6.3429 6.3429 6.9654 6.9654 7.0162 7.0162 7.7167 7.7167 7.7826 7.7826 9.9820 9.9820 10.0113 10.0113 10.4413 10.4413 10.4441 10.4441 10.7226 10.7227 k = 0.1061 0.1837 0.2635 ( 6600 PWs) bands (ev): -19.4744 -19.4744 -19.4744 -19.4744 -6.1544 -6.1544 -6.1539 -6.1539 -4.2496 -4.2496 -4.2480 -4.2480 -4.0942 -4.0942 -4.0935 -4.0935 -0.6090 -0.6090 -0.6037 -0.6037 3.1088 3.1088 3.1160 3.1160 3.4320 3.4320 3.4378 3.4378 3.5675 3.5675 3.5682 3.5682 3.9563 3.9563 3.9570 3.9570 4.1428 4.1428 4.1497 4.1497 6.3741 6.3741 6.3809 6.3809 7.0260 7.0260 7.0756 7.0756 7.7694 7.7694 7.8316 7.8316 10.0222 10.0222 10.0531 10.0531 10.4316 10.4316 10.4392 10.4392 10.6857 10.6857 k = 0.0985 0.1706 0.2635 ( 6588 PWs) bands (ev): -19.4749 -19.4749 -19.4749 -19.4749 -6.1527 -6.1527 -6.1522 -6.1522 -4.2492 -4.2492 -4.2479 -4.2479 -4.0885 -4.0885 -4.0879 -4.0879 -0.6216 -0.6216 -0.6174 -0.6174 3.1015 3.1015 3.1072 3.1072 3.4260 3.4260 3.4315 3.4315 3.5641 3.5641 3.5649 3.5649 3.9587 3.9587 3.9601 3.9601 4.1388 4.1388 4.1450 4.1450 6.3990 6.3990 6.4053 6.4053 7.1007 7.1007 7.1475 7.1475 7.8228 7.8228 7.8810 7.8810 10.0491 10.0491 10.0809 10.0809 10.4264 10.4264 10.4387 10.4387 10.6614 10.6614 k = 0.0909 0.1575 0.2635 ( 6588 PWs) bands (ev): -19.4753 -19.4753 -19.4753 -19.4753 -6.1511 -6.1511 -6.1507 -6.1507 -4.2489 -4.2489 -4.2479 -4.2479 -4.0829 -4.0829 -4.0824 -4.0824 -0.6338 -0.6338 -0.6304 -0.6304 3.0947 3.0947 3.0990 3.0990 3.4203 3.4203 3.4252 3.4252 3.5611 3.5611 3.5626 3.5626 3.9615 3.9615 3.9633 3.9633 4.1347 4.1347 4.1402 4.1402 6.4132 6.4132 6.4184 6.4184 7.1874 7.1874 7.2304 7.2304 7.8762 7.8762 7.9299 7.9299 10.0579 10.0579 10.0888 10.0888 10.4264 10.4264 10.4415 10.4415 10.6537 10.6537 k = 0.0833 0.1443 0.2635 ( 6594 PWs) bands (ev): -19.4756 -19.4756 -19.4756 -19.4756 -6.1495 -6.1495 -6.1493 -6.1493 -4.2487 -4.2487 -4.2479 -4.2479 -4.0775 -4.0775 -4.0771 -4.0771 -0.6453 -0.6453 -0.6426 -0.6426 3.0883 3.0883 3.0914 3.0914 3.4148 3.4148 3.4190 3.4190 3.5588 3.5588 3.5607 3.5607 3.9645 3.9645 3.9664 3.9664 4.1306 4.1306 4.1353 4.1353 6.4191 6.4191 6.4230 6.4230 7.2831 7.2831 7.3221 7.3221 7.9288 7.9288 7.9780 7.9780 10.0458 10.0458 10.0734 10.0734 10.4321 10.4321 10.4475 10.4475 10.6639 10.6639 k = 0.0758 0.1312 0.2635 ( 6588 PWs) bands (ev): -19.4760 -19.4760 -19.4760 -19.4760 -6.1481 -6.1481 -6.1479 -6.1479 -4.2486 -4.2486 -4.2480 -4.2480 -4.0723 -4.0723 -4.0720 -4.0720 -0.6561 -0.6561 -0.6541 -0.6541 3.0823 3.0823 3.0846 3.0846 3.4097 3.4097 3.4131 3.4131 3.5572 3.5572 3.5591 3.5591 3.9677 3.9677 3.9697 3.9697 4.1265 4.1265 4.1305 4.1305 6.4190 6.4190 6.4218 6.4218 7.3852 7.3852 7.4201 7.4201 7.9801 7.9801 8.0245 8.0245 10.0132 10.0132 10.0361 10.0361 10.4438 10.4438 10.4573 10.4573 10.6886 10.6886 k = 0.0682 0.1181 0.2635 ( 6594 PWs) bands (ev): -19.4763 -19.4763 -19.4763 -19.4763 -6.1468 -6.1468 -6.1467 -6.1467 -4.2486 -4.2486 -4.2481 -4.2481 -4.0674 -4.0674 -4.0672 -4.0672 -0.6662 -0.6662 -0.6647 -0.6647 3.0769 3.0769 3.0785 3.0785 3.4049 3.4049 3.4076 3.4076 3.5561 3.5561 3.5578 3.5578 3.9711 3.9711 3.9728 3.9728 4.1225 4.1225 4.1257 4.1257 6.4150 6.4150 6.4168 6.4168 7.4911 7.4911 7.5221 7.5221 8.0296 8.0296 8.0692 8.0692 9.9631 9.9631 9.9811 9.9811 10.4612 10.4612 10.4723 10.4723 10.7209 10.7209 k = 0.0606 0.1050 0.2635 ( 6602 PWs) bands (ev): -19.4766 -19.4766 -19.4766 -19.4766 -6.1456 -6.1456 -6.1455 -6.1455 -4.2486 -4.2486 -4.2483 -4.2483 -4.0629 -4.0629 -4.0627 -4.0627 -0.6754 -0.6754 -0.6744 -0.6744 3.0719 3.0719 3.0730 3.0730 3.4006 3.4006 3.4025 3.4025 3.5554 3.5554 3.5567 3.5567 3.9745 3.9745 3.9760 3.9760 4.1185 4.1185 4.1210 4.1210 6.4084 6.4084 6.4096 6.4096 7.5987 7.5987 7.6258 7.6258 8.0770 8.0770 8.1115 8.1115 9.8996 9.8996 9.9132 9.9132 10.4841 10.4841 10.4932 10.4932 10.7537 10.7537 k = 0.0530 0.0919 0.2635 ( 6594 PWs) bands (ev): -19.4769 -19.4769 -19.4769 -19.4769 -6.1446 -6.1446 -6.1445 -6.1445 -4.2487 -4.2487 -4.2485 -4.2485 -4.0587 -4.0587 -4.0586 -4.0586 -0.6837 -0.6837 -0.6830 -0.6830 3.0675 3.0675 3.0682 3.0682 3.3967 3.3967 3.3980 3.3980 3.5549 3.5549 3.5559 3.5559 3.9780 3.9780 3.9791 3.9791 4.1147 4.1147 4.1166 4.1166 6.4006 6.4006 6.4014 6.4014 7.7058 7.7058 7.7289 7.7289 8.1221 8.1221 8.1514 8.1514 9.8265 9.8265 9.8364 9.8364 10.5124 10.5124 10.5198 10.5198 10.7810 10.7810 k = 0.0455 0.0787 0.2635 ( 6590 PWs) bands (ev): -19.4771 -19.4771 -19.4771 -19.4771 -6.1437 -6.1437 -6.1436 -6.1436 -4.2487 -4.2487 -4.2486 -4.2486 -4.0550 -4.0550 -4.0549 -4.0549 -0.6911 -0.6911 -0.6906 -0.6906 3.0636 3.0636 3.0640 3.0640 3.3932 3.3932 3.3941 3.3941 3.5546 3.5546 3.5553 3.5553 3.9813 3.9813 3.9821 3.9821 4.1112 4.1112 4.1124 4.1124 6.3924 6.3924 6.3929 6.3929 7.8096 7.8096 7.8287 7.8287 8.1651 8.1651 8.1890 8.1890 9.7474 9.7474 9.7543 9.7543 10.5457 10.5457 10.5518 10.5518 10.7995 10.7995 k = 0.0379 0.0656 0.2635 ( 6606 PWs) bands (ev): -19.4774 -19.4774 -19.4774 -19.4774 -6.1429 -6.1429 -6.1429 -6.1429 -4.2488 -4.2488 -4.2488 -4.2488 -4.0518 -4.0518 -4.0517 -4.0517 -0.6974 -0.6974 -0.6971 -0.6971 3.0602 3.0602 3.0605 3.0605 3.3903 3.3903 3.3908 3.3908 3.5544 3.5544 3.5548 3.5548 3.9843 3.9843 3.9849 3.9849 4.1079 4.1079 4.1087 4.1087 6.3846 6.3846 6.3848 6.3848 7.9067 7.9067 7.9215 7.9215 8.2067 8.2067 8.2249 8.2249 9.6660 9.6660 9.6705 9.6705 10.5836 10.5836 10.5886 10.5886 10.8090 10.8090 k = 0.0303 0.0525 0.2635 ( 6606 PWs) bands (ev): -19.4775 -19.4775 -19.4775 -19.4775 -6.1422 -6.1422 -6.1422 -6.1422 -4.2489 -4.2489 -4.2489 -4.2489 -4.0491 -4.0491 -4.0491 -4.0491 -0.7027 -0.7027 -0.7025 -0.7025 3.0575 3.0575 3.0576 3.0576 3.3878 3.3878 3.3881 3.3881 3.5543 3.5543 3.5545 3.5545 3.9871 3.9871 3.9874 3.9874 4.1050 4.1050 4.1054 4.1054 6.3775 6.3775 6.3776 6.3776 7.9927 7.9927 8.0027 8.0027 8.2479 8.2479 8.2600 8.2600 9.5863 9.5863 9.5890 9.5890 10.6249 10.6249 10.6288 10.6288 10.8125 10.8125 k = 0.0227 0.0394 0.2635 ( 6614 PWs) bands (ev): -19.4777 -19.4777 -19.4777 -19.4777 -6.1417 -6.1417 -6.1417 -6.1417 -4.2490 -4.2490 -4.2490 -4.2490 -4.0470 -4.0470 -4.0470 -4.0470 -0.7068 -0.7068 -0.7068 -0.7068 3.0553 3.0553 3.0553 3.0553 3.3858 3.3858 3.3860 3.3860 3.5542 3.5542 3.5543 3.5543 3.9893 3.9893 3.9895 3.9895 4.1025 4.1025 4.1027 4.1027 6.3717 6.3717 6.3717 6.3717 8.0622 8.0622 8.0675 8.0675 8.2890 8.2890 8.2953 8.2953 9.5133 9.5133 9.5146 9.5146 10.6672 10.6672 10.6699 10.6699 10.8141 10.8141 k = 0.0152 0.0262 0.2635 ( 6614 PWs) bands (ev): -19.4777 -19.4777 -19.4777 -19.4777 -6.1414 -6.1414 -6.1414 -6.1414 -4.2491 -4.2491 -4.2491 -4.2491 -4.0454 -4.0454 -4.0454 -4.0454 -0.7098 -0.7098 -0.7098 -0.7098 3.0537 3.0537 3.0537 3.0537 3.3844 3.3844 3.3845 3.3845 3.5541 3.5541 3.5542 3.5542 3.9910 3.9910 3.9911 3.9911 4.1007 4.1007 4.1007 4.1007 6.3673 6.3673 6.3673 6.3673 8.1109 8.1109 8.1127 8.1127 8.3272 8.3272 8.3293 8.3293 9.4530 9.4530 9.4534 9.4534 10.7058 10.7058 10.7073 10.7073 10.8187 10.8206 k = 0.0076 0.0131 0.2635 ( 6610 PWs) bands (ev): -19.4778 -19.4778 -19.4778 -19.4778 -6.1412 -6.1412 -6.1412 -6.1412 -4.2491 -4.2491 -4.2491 -4.2491 -4.0445 -4.0445 -4.0445 -4.0445 -0.7116 -0.7116 -0.7116 -0.7116 3.0528 3.0528 3.0528 3.0528 3.3836 3.3836 3.3836 3.3836 3.5541 3.5541 3.5541 3.5541 3.9921 3.9921 3.9921 3.9921 4.0995 4.0995 4.0995 4.0995 6.3646 6.3646 6.3646 6.3646 8.1385 8.1385 8.1387 8.1387 8.3554 8.3554 8.3556 8.3556 9.4125 9.4125 9.4126 9.4126 10.7327 10.7327 10.7330 10.7330 10.8284 10.8284 k = 0.0000 0.0000 0.2635 ( 6602 PWs) bands (ev): -19.4778 -19.4778 -19.4778 -19.4778 -6.1411 -6.1411 -6.1411 -6.1411 -4.2491 -4.2491 -4.2491 -4.2491 -4.0442 -4.0442 -4.0442 -4.0442 -0.7122 -0.7122 -0.7122 -0.7122 3.0525 3.0525 3.0525 3.0525 3.3833 3.3833 3.3833 3.3833 3.5541 3.5541 3.5541 3.5541 3.9924 3.9924 3.9924 3.9924 4.0991 4.0991 4.0991 4.0991 6.3637 6.3637 6.3637 6.3637 8.1472 8.1472 8.1472 8.1472 8.3658 8.3658 8.3658 8.3658 9.3981 9.3981 9.3981 9.3981 10.7416 10.7416 10.7416 10.7416 10.8355 10.8355 k = 0.5000 0.2887 0.2635 ( 6596 PWs) bands (ev): -19.4665 -19.4665 -19.4665 -19.4665 -6.1883 -6.1883 -6.1883 -6.1883 -4.2934 -4.2934 -4.2934 -4.2934 -4.1469 -4.1469 -4.1469 -4.1469 -0.3564 -0.3564 -0.3564 -0.3564 3.3948 3.3948 3.3948 3.3948 3.4779 3.4779 3.4779 3.4779 3.8052 3.8052 3.8052 3.8052 3.9679 3.9679 3.9679 3.9679 4.1438 4.1438 4.1438 4.1438 4.8133 4.8133 4.8133 4.8133 6.8518 6.8518 6.8518 6.8518 7.4569 7.4569 7.4569 7.4569 9.1134 9.1134 9.1134 9.1134 10.4065 10.4065 10.4065 10.4065 12.6729 12.6729 k = 0.5000 0.2887 0.2489 ( 6616 PWs) bands (ev): -19.4669 -19.4669 -19.4660 -19.4660 -6.1896 -6.1896 -6.1870 -6.1870 -4.2950 -4.2950 -4.2922 -4.2922 -4.1499 -4.1499 -4.1434 -4.1434 -0.3728 -0.3728 -0.3400 -0.3400 3.3919 3.3919 3.3976 3.3976 3.4754 3.4754 3.4803 3.4803 3.7961 3.7961 3.8141 3.8141 3.9654 3.9654 3.9704 3.9704 4.1359 4.1359 4.1514 4.1514 4.7841 4.7841 4.8438 4.8438 6.8191 6.8191 6.8848 6.8848 7.4358 7.4358 7.4762 7.4762 9.1045 9.1045 9.1175 9.1175 10.4038 10.4038 10.4223 10.4223 12.6509 12.6509 k = 0.5000 0.2887 0.2343 ( 6608 PWs) bands (ev): -19.4674 -19.4674 -19.4655 -19.4655 -6.1909 -6.1909 -6.1858 -6.1858 -4.2970 -4.2970 -4.2913 -4.2913 -4.1524 -4.1524 -4.1395 -4.1395 -0.3891 -0.3891 -0.3237 -0.3237 3.3890 3.3890 3.4004 3.4004 3.4728 3.4728 3.4826 3.4826 3.7870 3.7870 3.8229 3.8229 3.9629 3.9629 3.9729 3.9729 4.1278 4.1278 4.1588 4.1588 4.7563 4.7563 4.8753 4.8753 6.7870 6.7870 6.9180 6.9180 7.4127 7.4127 7.4936 7.4936 9.0909 9.0909 9.1171 9.1171 10.4138 10.4138 10.4512 10.4512 12.6121 12.6121 k = 0.5000 0.2887 0.2196 ( 6618 PWs) bands (ev): -19.4679 -19.4679 -19.4650 -19.4650 -6.1922 -6.1922 -6.1846 -6.1846 -4.2992 -4.2992 -4.2908 -4.2908 -4.1544 -4.1544 -4.1353 -4.1353 -0.4050 -0.4050 -0.3076 -0.3076 3.3861 3.3861 3.4031 3.4031 3.4701 3.4701 3.4848 3.4848 3.7778 3.7778 3.8315 3.8315 3.9604 3.9604 3.9754 3.9754 4.1196 4.1196 4.1659 4.1659 4.7301 4.7301 4.9076 4.9076 6.7557 6.7557 6.9510 6.9510 7.3880 7.3880 7.5091 7.5091 9.0731 9.0731 9.1129 9.1129 10.4355 10.4355 10.4928 10.4928 12.5608 12.5608 k = 0.5000 0.2887 0.2050 ( 6618 PWs) bands (ev): -19.4684 -19.4684 -19.4645 -19.4645 -6.1935 -6.1935 -6.1835 -6.1835 -4.3017 -4.3017 -4.2907 -4.2907 -4.1558 -4.1558 -4.1308 -4.1308 -0.4206 -0.4206 -0.2918 -0.2918 3.3832 3.3832 3.4058 3.4058 3.4674 3.4674 3.4869 3.4869 3.7686 3.7686 3.8398 3.8398 3.9580 3.9580 3.9778 3.9778 4.1113 4.1113 4.1725 4.1725 4.7056 4.7056 4.9405 4.9405 6.7254 6.7254 6.9836 6.9836 7.3617 7.3617 7.5230 7.5230 9.0517 9.0517 9.1057 9.1057 10.4675 10.4675 10.5462 10.5462 12.5032 12.5032 k = 0.5000 0.2887 0.1903 ( 6620 PWs) bands (ev): -19.4688 -19.4688 -19.4641 -19.4641 -6.1948 -6.1948 -6.1825 -6.1825 -4.3043 -4.3043 -4.2909 -4.2909 -4.1568 -4.1568 -4.1261 -4.1261 -0.4357 -0.4357 -0.2765 -0.2765 3.3804 3.3804 3.4083 3.4083 3.4646 3.4646 3.4889 3.4889 3.7596 3.7596 3.8479 3.8479 3.9557 3.9557 3.9801 3.9801 4.1030 4.1030 4.1788 4.1788 4.6827 4.6827 4.9737 4.9737 6.6964 6.6964 7.0154 7.0154 7.3341 7.3341 7.5352 7.5352 9.0278 9.0278 9.0965 9.0965 10.5084 10.5084 10.6104 10.6104 12.4437 12.4437 k = 0.5000 0.2887 0.1757 ( 6624 PWs) bands (ev): -19.4693 -19.4693 -19.4636 -19.4636 -6.1960 -6.1960 -6.1815 -6.1815 -4.3070 -4.3070 -4.2915 -4.2915 -4.1573 -4.1573 -4.1213 -4.1213 -0.4501 -0.4501 -0.2618 -0.2618 3.3776 3.3776 3.4108 3.4108 3.4617 3.4617 3.4907 3.4907 3.7508 3.7508 3.8556 3.8556 3.9534 3.9534 3.9824 3.9824 4.0947 4.0947 4.1847 4.1847 4.6617 4.6617 5.0069 5.0069 6.6688 6.6688 7.0460 7.0460 7.3057 7.3057 7.5460 7.5460 9.0022 9.0022 9.0861 9.0861 10.5564 10.5564 10.6843 10.6843 12.3847 12.3847 k = 0.5000 0.2887 0.1611 ( 6622 PWs) bands (ev): -19.4697 -19.4697 -19.4632 -19.4632 -6.1972 -6.1972 -6.1805 -6.1805 -4.3098 -4.3098 -4.2922 -4.2922 -4.1574 -4.1574 -4.1165 -4.1165 -0.4638 -0.4638 -0.2477 -0.2477 3.3749 3.3749 3.4131 3.4131 3.4589 3.4589 3.4925 3.4925 3.7422 3.7422 3.8631 3.8631 3.9512 3.9512 3.9846 3.9846 4.0867 4.0867 4.1902 4.1902 4.6425 4.6425 5.0397 5.0397 6.6427 6.6427 7.0752 7.0752 7.2769 7.2769 7.5555 7.5555 8.9758 8.9758 9.0754 9.0754 10.6099 10.6099 10.7667 10.7667 12.3277 12.3277 k = 0.5000 0.2887 0.1464 ( 6638 PWs) bands (ev): -19.4701 -19.4701 -19.4628 -19.4628 -6.1984 -6.1984 -6.1797 -6.1797 -4.3125 -4.3125 -4.2932 -4.2932 -4.1572 -4.1572 -4.1119 -4.1119 -0.4767 -0.4767 -0.2345 -0.2345 3.3722 3.3722 3.4153 3.4153 3.4561 3.4561 3.4941 3.4941 3.7340 3.7340 3.8702 3.8702 3.9491 3.9491 3.9868 3.9868 4.0788 4.0788 4.1952 4.1952 4.6251 4.6251 5.0717 5.0717 6.6184 6.6184 7.1024 7.1024 7.2484 7.2484 7.5638 7.5638 8.9496 8.9496 9.0649 9.0649 10.6670 10.6670 10.8566 10.8566 12.2736 12.2736 k = 0.5000 0.2887 0.1318 ( 6634 PWs) bands (ev): -19.4704 -19.4704 -19.4625 -19.4625 -6.1995 -6.1995 -6.1789 -6.1789 -4.3151 -4.3151 -4.2943 -4.2943 -4.1567 -4.1567 -4.1073 -4.1073 -0.4887 -0.4887 -0.2222 -0.2222 3.3697 3.3697 3.4174 3.4174 3.4533 3.4533 3.4955 3.4955 3.7263 3.7263 3.8770 3.8770 3.9471 3.9471 3.9888 3.9888 4.0712 4.0712 4.1997 4.1997 4.6094 4.6094 5.1026 5.1026 6.5960 6.5960 7.1264 7.1264 7.2216 7.2216 7.5711 7.5711 8.9241 8.9241 9.0550 9.0550 10.7262 10.7262 10.9530 10.9530 12.2230 12.2230 k = 0.5000 0.2887 0.1171 ( 6634 PWs) bands (ev): -19.4707 -19.4707 -19.4621 -19.4621 -6.2005 -6.2005 -6.1782 -6.1782 -4.3176 -4.3176 -4.2954 -4.2954 -4.1561 -4.1561 -4.1031 -4.1031 -0.4997 -0.4997 -0.2109 -0.2109 3.3674 3.3674 3.4194 3.4194 3.4505 3.4505 3.4969 3.4969 3.7192 3.7192 3.8834 3.8834 3.9453 3.9453 3.9907 3.9907 4.0640 4.0640 4.2039 4.2039 4.5956 4.5956 5.1320 5.1320 6.5756 6.5756 7.1440 7.1440 7.2001 7.2001 7.5775 7.5775 8.9000 8.9000 9.0460 9.0460 10.7858 10.7858 11.0549 11.0549 12.1765 12.1765 k = 0.5000 0.2887 0.1025 ( 6626 PWs) bands (ev): -19.4710 -19.4710 -19.4619 -19.4619 -6.2014 -6.2014 -6.1776 -6.1776 -4.3199 -4.3199 -4.2965 -4.2965 -4.1554 -4.1554 -4.0991 -4.0991 -0.5095 -0.5095 -0.2007 -0.2007 3.3652 3.3652 3.4213 3.4213 3.4479 3.4479 3.4981 3.4981 3.7127 3.7127 3.8894 3.8894 3.9435 3.9435 3.9925 3.9925 4.0572 4.0572 4.2075 4.2075 4.5835 4.5835 5.1593 5.1593 6.5572 6.5572 7.1439 7.1439 7.1954 7.1954 7.5830 7.5830 8.8778 8.8778 9.0380 9.0380 10.8441 10.8441 11.1615 11.1615 12.1344 12.1344 k = 0.5000 0.2887 0.0878 ( 6616 PWs) bands (ev): -19.4713 -19.4713 -19.4616 -19.4616 -6.2023 -6.2023 -6.1770 -6.1770 -4.3220 -4.3220 -4.2976 -4.2976 -4.1546 -4.1546 -4.0956 -4.0956 -0.5182 -0.5182 -0.1917 -0.1917 3.3633 3.3633 3.4231 3.4231 3.4454 3.4454 3.4992 3.4992 3.7069 3.7069 3.8949 3.8949 3.9420 3.9420 3.9942 3.9942 4.0510 4.0510 4.2107 4.2107 4.5731 4.5731 5.1842 5.1842 6.5411 6.5411 7.1272 7.1272 7.2068 7.2068 7.5879 7.5879 8.8579 8.8579 9.0313 9.0313 10.8993 10.8993 11.2718 11.2718 12.0972 12.0972 k = 0.5000 0.2887 0.0732 ( 6616 PWs) bands (ev): -19.4715 -19.4715 -19.4614 -19.4614 -6.2030 -6.2030 -6.1766 -6.1766 -4.3238 -4.3238 -4.2985 -4.2985 -4.1539 -4.1539 -4.0924 -4.0924 -0.5257 -0.5257 -0.1839 -0.1839 3.3616 3.3616 3.4248 3.4248 3.4430 3.4430 3.5001 3.5001 3.7019 3.7019 3.8998 3.8998 3.9406 3.9406 3.9957 3.9957 4.0454 4.0454 4.2134 4.2134 4.5644 4.5644 5.2062 5.2062 6.5273 6.5273 7.1077 7.1077 7.2209 7.2209 7.5920 7.5920 8.8405 8.8405 9.0257 9.0257 10.9499 10.9499 11.3849 11.3849 12.0652 12.0652 k = 0.5000 0.2887 0.0586 ( 6626 PWs) bands (ev): -19.4717 -19.4717 -19.4612 -19.4612 -6.2036 -6.2036 -6.1762 -6.1762 -4.3254 -4.3254 -4.2994 -4.2994 -4.1532 -4.1532 -4.0898 -4.0898 -0.5319 -0.5319 -0.1774 -0.1774 3.3601 3.3601 3.4264 3.4264 3.4407 3.4407 3.5008 3.5008 3.6977 3.6977 3.9041 3.9041 3.9393 3.9393 3.9970 3.9970 4.0404 4.0404 4.2156 4.2156 4.5573 4.5573 5.2248 5.2248 6.5159 6.5159 7.0899 7.0899 7.2335 7.2335 7.5954 7.5954 8.8260 8.8260 9.0212 9.0212 10.9941 10.9941 11.4998 11.4998 12.0385 12.0385 k = 0.5000 0.2887 0.0439 ( 6624 PWs) bands (ev): -19.4719 -19.4719 -19.4610 -19.4610 -6.2041 -6.2041 -6.1759 -6.1759 -4.3266 -4.3266 -4.3001 -4.3001 -4.1526 -4.1526 -4.0877 -4.0877 -0.5368 -0.5368 -0.1724 -0.1724 3.3589 3.3589 3.4279 3.4279 3.4386 3.4386 3.5013 3.5013 3.6944 3.6944 3.9076 3.9076 3.9382 3.9382 3.9982 3.9982 4.0364 4.0364 4.2173 4.2173 4.5519 4.5519 5.2398 5.2398 6.5070 6.5070 7.0752 7.0752 7.2438 7.2438 7.5980 7.5980 8.8146 8.8146 9.0178 9.0178 11.0304 11.0304 11.6155 11.6155 12.0175 12.0175 k = 0.5000 0.2887 0.0293 ( 6638 PWs) bands (ev): -19.4720 -19.4720 -19.4609 -19.4609 -6.2044 -6.2044 -6.1757 -6.1757 -4.3275 -4.3275 -4.3006 -4.3006 -4.1522 -4.1522 -4.0862 -4.0862 -0.5403 -0.5403 -0.1687 -0.1687 3.3581 3.3581 3.4293 3.4293 3.4368 3.4368 3.5018 3.5018 3.6920 3.6920 3.9103 3.9103 3.9373 3.9373 3.9991 3.9991 4.0333 4.0333 4.2186 4.2186 4.5480 4.5480 5.2508 5.2508 6.5006 6.5006 7.0643 7.0643 7.2513 7.2513 7.6000 7.6000 8.8063 8.8063 9.0154 9.0154 11.0575 11.0575 11.7305 11.7305 12.0021 12.0021 k = 0.5000 0.2887 0.0146 ( 6640 PWs) bands (ev): -19.4720 -19.4720 -19.4609 -19.4609 -6.2046 -6.2046 -6.1756 -6.1756 -4.3280 -4.3280 -4.3009 -4.3009 -4.1520 -4.1520 -4.0853 -4.0853 -0.5424 -0.5424 -0.1665 -0.1665 3.3575 3.3575 3.4307 3.4307 3.4352 3.4352 3.5020 3.5020 3.6906 3.6906 3.9120 3.9120 3.9367 3.9367 3.9997 3.9997 4.0314 4.0314 4.2193 4.2193 4.5456 4.5456 5.2575 5.2575 6.4967 6.4967 7.0576 7.0576 7.2558 7.2558 7.6012 7.6012 8.8013 8.8013 9.0140 9.0140 11.0742 11.0742 11.8422 11.8422 11.9914 11.9914 k = 0.5000 0.2887-0.0000 ( 6640 PWs) bands (ev): -19.4721 -19.4721 -19.4608 -19.4608 -6.2047 -6.2047 -6.1755 -6.1755 -4.3282 -4.3282 -4.3010 -4.3010 -4.1519 -4.1519 -4.0850 -4.0850 -0.5431 -0.5431 -0.1658 -0.1658 3.3574 3.3574 3.4314 3.4314 3.4344 3.4344 3.5021 3.5021 3.6901 3.6901 3.9126 3.9126 3.9365 3.9365 3.9999 3.9999 4.0307 4.0307 4.2196 4.2196 4.5448 4.5448 5.2597 5.2597 6.4954 6.4954 7.0554 7.0554 7.2574 7.2574 7.6016 7.6016 8.7996 8.7996 9.0135 9.0135 11.0798 11.0798 11.9267 11.9267 11.9703 11.9703 k = 0.3333 0.5774-0.0000 ( 6612 PWs) bands (ev): -19.4706 -19.4706 -19.4595 -19.4595 -6.2067 -6.2067 -6.1816 -6.1816 -4.3042 -4.3042 -4.2859 -4.2859 -4.1958 -4.1958 -4.1312 -4.1312 -0.3325 -0.3325 -0.2783 -0.2783 3.3620 3.3620 3.3865 3.3865 3.4052 3.4052 3.7532 3.7532 3.7637 3.7637 3.8884 3.8884 3.8986 3.8986 3.9099 3.9099 4.1971 4.1971 4.3923 4.3923 4.8769 4.8769 4.9019 4.9019 5.3878 5.3878 6.6263 6.6263 7.3510 7.3510 7.3836 7.3836 9.8670 9.8670 9.9080 9.9080 10.7860 10.7860 10.9381 10.9381 11.3319 11.3319 k = 0.3333 0.5774 0.0146 ( 6615 PWs) bands (ev): -19.4705 -19.4705 -19.4595 -19.4595 -6.2066 -6.2066 -6.1817 -6.1817 -4.3040 -4.3040 -4.2856 -4.2856 -4.1960 -4.1960 -4.1315 -4.1315 -0.3325 -0.3325 -0.2783 -0.2783 3.3618 3.3618 3.3865 3.3865 3.4052 3.4052 3.7531 3.7531 3.7638 3.7638 3.8869 3.8869 3.9001 3.9001 3.9100 3.9100 4.1970 4.1970 4.3924 4.3924 4.8769 4.8769 4.9019 4.9019 5.3900 5.3900 6.6237 6.6237 7.3516 7.3516 7.3841 7.3841 9.8617 9.8617 9.9024 9.9024 10.7933 10.7933 10.9449 10.9449 11.3339 11.3339 k = 0.3333 0.5774 0.0293 ( 6636 PWs) bands (ev): -19.4705 -19.4705 -19.4596 -19.4596 -6.2064 -6.2064 -6.1818 -6.1818 -4.3035 -4.3035 -4.2848 -4.2848 -4.1966 -4.1966 -4.1325 -4.1325 -0.3324 -0.3324 -0.2781 -0.2781 3.3613 3.3613 3.3863 3.3863 3.4053 3.4053 3.7529 3.7529 3.7640 3.7640 3.8837 3.8837 3.9031 3.9031 3.9103 3.9103 4.1965 4.1965 4.3926 4.3926 4.8767 4.8767 4.9018 4.9018 5.3964 5.3964 6.6160 6.6160 7.3536 7.3536 7.3854 7.3854 9.8461 9.8461 9.8861 9.8861 10.8144 10.8144 10.9647 10.9647 11.3400 11.3400 k = 0.3333 0.5774 0.0439 ( 6621 PWs) bands (ev): -19.4704 -19.4704 -19.4597 -19.4597 -6.2061 -6.2061 -6.1819 -6.1819 -4.3026 -4.3026 -4.2835 -4.2835 -4.1975 -4.1975 -4.1341 -4.1341 -0.3323 -0.3323 -0.2779 -0.2779 3.3605 3.3605 3.3860 3.3860 3.4054 3.4054 3.7526 3.7526 3.7645 3.7645 3.8801 3.8801 3.9062 3.9062 3.9112 3.9112 4.1958 4.1958 4.3930 4.3930 4.8764 4.8764 4.9016 4.9016 5.4070 5.4070 6.6031 6.6031 7.3569 7.3569 7.3876 7.3876 9.8217 9.8217 9.8608 9.8608 10.8478 10.8478 10.9964 10.9964 11.3501 11.3501 k = 0.3333 0.5774 0.0586 ( 6627 PWs) bands (ev): -19.4702 -19.4702 -19.4598 -19.4598 -6.2057 -6.2057 -6.1822 -6.1822 -4.3013 -4.3013 -4.2818 -4.2818 -4.1989 -4.1989 -4.1364 -4.1364 -0.3322 -0.3322 -0.2776 -0.2776 3.3594 3.3594 3.3856 3.3856 3.4056 3.4056 3.7521 3.7521 3.7652 3.7652 3.8764 3.8764 3.9082 3.9082 3.9134 3.9134 4.1948 4.1948 4.3935 4.3935 4.8759 4.8759 4.9013 4.9013 5.4218 5.4218 6.5853 6.5853 7.3613 7.3613 7.3906 7.3906 9.7902 9.7902 9.8286 9.8286 10.8913 10.8913 11.0381 11.0381 11.3642 11.3642 k = 0.3333 0.5774 0.0732 ( 6615 PWs) bands (ev): -19.4700 -19.4700 -19.4600 -19.4600 -6.2052 -6.2052 -6.1825 -6.1825 -4.2997 -4.2997 -4.2795 -4.2795 -4.2006 -4.2006 -4.1392 -4.1392 -0.3321 -0.3321 -0.2772 -0.2772 3.3581 3.3581 3.3852 3.3852 3.4058 3.4058 3.7515 3.7515 3.7660 3.7660 3.8729 3.8729 3.9091 3.9091 3.9169 3.9169 4.1936 4.1936 4.3941 4.3941 4.8754 4.8754 4.9010 4.9010 5.4406 5.4406 6.5628 6.5628 7.3669 7.3669 7.3943 7.3943 9.7536 9.7536 9.7918 9.7918 10.9429 10.9429 11.0881 11.0881 11.3824 11.3824 k = 0.3333 0.5774 0.0878 ( 6609 PWs) bands (ev): -19.4698 -19.4698 -19.4602 -19.4602 -6.2047 -6.2047 -6.1828 -6.1828 -4.2978 -4.2978 -4.2767 -4.2767 -4.2027 -4.2027 -4.1427 -4.1427 -0.3319 -0.3319 -0.2768 -0.2768 3.3566 3.3566 3.3847 3.3847 3.4060 3.4060 3.7508 3.7508 3.7669 3.7669 3.8694 3.8694 3.9096 3.9096 3.9206 3.9206 4.1922 4.1922 4.3948 4.3948 4.8748 4.8748 4.9007 4.9007 5.4632 5.4632 6.5359 6.5359 7.3734 7.3734 7.3987 7.3987 9.7136 9.7136 9.7522 9.7522 11.0006 11.0006 11.1445 11.1445 11.4046 11.4046 k = 0.3333 0.5774 0.1025 ( 6621 PWs) bands (ev): -19.4696 -19.4696 -19.4605 -19.4605 -6.2040 -6.2040 -6.1833 -6.1833 -4.2955 -4.2955 -4.2735 -4.2735 -4.2051 -4.2051 -4.1467 -4.1467 -0.3317 -0.3317 -0.2763 -0.2763 3.3549 3.3549 3.3841 3.3841 3.4063 3.4063 3.7501 3.7501 3.7679 3.7679 3.8661 3.8661 3.9099 3.9099 3.9244 3.9244 4.1907 4.1907 4.3955 4.3955 4.8741 4.8741 4.9003 4.9003 5.4896 5.4896 6.5048 6.5048 7.3806 7.3806 7.4035 7.4035 9.6719 9.6719 9.7116 9.7116 11.0630 11.0630 11.2059 11.2059 11.4308 11.4308 k = 0.3333 0.5774 0.1171 ( 6630 PWs) bands (ev): -19.4693 -19.4693 -19.4608 -19.4608 -6.2032 -6.2032 -6.1838 -6.1838 -4.2930 -4.2930 -4.2698 -4.2698 -4.2077 -4.2077 -4.1512 -4.1512 -0.3315 -0.3315 -0.2758 -0.2758 3.3531 3.3531 3.3834 3.3834 3.4066 3.4066 3.7493 3.7493 3.7690 3.7690 3.8630 3.8630 3.9103 3.9103 3.9280 3.9280 4.1891 4.1891 4.3964 4.3964 4.8734 4.8734 4.8999 4.8999 5.5193 5.5193 6.4700 6.4700 7.3885 7.3885 7.4087 7.4087 9.6300 9.6300 9.6712 9.6712 11.1289 11.1289 11.2710 11.2710 11.4612 11.4612 k = 0.3333 0.5774 0.1318 ( 6630 PWs) bands (ev): -19.4689 -19.4689 -19.4611 -19.4611 -6.2024 -6.2024 -6.1843 -6.1843 -4.2903 -4.2903 -4.2657 -4.2657 -4.2107 -4.2107 -4.1561 -4.1561 -0.3313 -0.3313 -0.2753 -0.2753 3.3512 3.3512 3.3828 3.3828 3.4068 3.4068 3.7485 3.7485 3.7701 3.7701 3.8602 3.8602 3.9106 3.9106 3.9315 3.9315 4.1875 4.1875 4.3973 4.3973 4.8727 4.8727 4.8994 4.8994 5.5523 5.5523 6.4318 6.4318 7.3967 7.3967 7.4142 7.4142 9.5889 9.5889 9.6320 9.6320 11.1972 11.1972 11.3387 11.3387 11.4957 11.4957 k = 0.3333 0.5774 0.1464 ( 6639 PWs) bands (ev): -19.4686 -19.4686 -19.4615 -19.4615 -6.2015 -6.2015 -6.1849 -6.1849 -4.2873 -4.2873 -4.2611 -4.2611 -4.2138 -4.2138 -4.1615 -4.1615 -0.3311 -0.3311 -0.2747 -0.2747 3.3494 3.3494 3.3822 3.3822 3.4071 3.4071 3.7477 3.7477 3.7711 3.7711 3.8576 3.8576 3.9109 3.9109 3.9347 3.9347 4.1858 4.1858 4.3981 4.3981 4.8719 4.8719 4.8990 4.8990 5.5883 5.5883 6.3907 6.3907 7.4051 7.4051 7.4197 7.4197 9.5497 9.5497 9.5950 9.5950 11.2671 11.2671 11.4078 11.4078 11.5347 11.5347 k = 0.3333 0.5774 0.1611 ( 6633 PWs) bands (ev): -19.4682 -19.4682 -19.4619 -19.4619 -6.2005 -6.2005 -6.1856 -6.1856 -4.2841 -4.2841 -4.2562 -4.2562 -4.2172 -4.2172 -4.1672 -4.1672 -0.3308 -0.3308 -0.2742 -0.2742 3.3477 3.3477 3.3816 3.3816 3.4074 3.4074 3.7470 3.7470 3.7722 3.7722 3.8552 3.8552 3.9112 3.9112 3.9377 3.9377 4.1843 4.1843 4.3990 4.3990 4.8712 4.8712 4.8986 4.8986 5.6268 5.6268 6.3472 6.3472 7.4133 7.4133 7.4251 7.4251 9.5131 9.5131 9.5608 9.5608 11.3378 11.3378 11.4772 11.4772 11.5784 11.5784 k = 0.3333 0.5774 0.1757 ( 6618 PWs) bands (ev): -19.4678 -19.4678 -19.4623 -19.4623 -6.1996 -6.1996 -6.1863 -6.1863 -4.2808 -4.2808 -4.2510 -4.2510 -4.2206 -4.2206 -4.1732 -4.1732 -0.3306 -0.3306 -0.2737 -0.2737 3.3460 3.3460 3.3811 3.3811 3.4076 3.4076 3.7463 3.7463 3.7731 3.7731 3.8532 3.8532 3.9115 3.9115 3.9403 3.9403 4.1829 4.1829 4.3998 4.3998 4.8705 4.8705 4.8982 4.8982 5.6676 5.6676 6.3017 6.3017 7.4212 7.4212 7.4302 7.4302 9.4800 9.4800 9.5301 9.5301 11.4083 11.4083 11.5454 11.5454 11.6275 11.6275 k = 0.3333 0.5774 0.1903 ( 6618 PWs) bands (ev): -19.4674 -19.4674 -19.4627 -19.4627 -6.1986 -6.1986 -6.1870 -6.1870 -4.2775 -4.2775 -4.2454 -4.2454 -4.2241 -4.2241 -4.1795 -4.1795 -0.3305 -0.3305 -0.2733 -0.2733 3.3446 3.3446 3.3805 3.3805 3.4078 3.4078 3.7457 3.7457 3.7740 3.7740 3.8515 3.8515 3.9117 3.9117 3.9426 3.9426 4.1816 4.1816 4.4005 4.4005 4.8698 4.8698 4.8979 4.8979 5.7100 5.7100 6.2551 6.2551 7.4283 7.4283 7.4349 7.4349 9.4509 9.4509 9.5032 9.5032 11.4774 11.4774 11.6109 11.6109 11.6825 11.6825 k = 0.3333 0.5774 0.2050 ( 6627 PWs) bands (ev): -19.4669 -19.4669 -19.4631 -19.4631 -6.1977 -6.1977 -6.1878 -6.1878 -4.2743 -4.2743 -4.2395 -4.2395 -4.2274 -4.2274 -4.1859 -4.1859 -0.3303 -0.3303 -0.2729 -0.2729 3.3433 3.3433 3.3801 3.3801 3.4080 3.4080 3.7452 3.7452 3.7747 3.7747 3.8500 3.8500 3.9119 3.9119 3.9445 3.9445 4.1805 4.1805 4.4012 4.4012 4.8693 4.8693 4.8976 4.8976 5.7533 5.7533 6.2081 6.2081 7.4346 7.4346 7.4390 7.4390 9.4264 9.4264 9.4807 9.4807 11.5435 11.5435 11.6729 11.6729 11.7425 11.7425 k = 0.3333 0.5774 0.2196 ( 6633 PWs) bands (ev): -19.4665 -19.4665 -19.4636 -19.4636 -6.1968 -6.1968 -6.1886 -6.1886 -4.2712 -4.2712 -4.2335 -4.2335 -4.2306 -4.2306 -4.1925 -4.1925 -0.3302 -0.3302 -0.2726 -0.2726 3.3423 3.3423 3.3797 3.3797 3.4081 3.4081 3.7447 3.7447 3.7753 3.7753 3.8489 3.8489 3.9121 3.9121 3.9460 3.9460 4.1796 4.1796 4.4017 4.4017 4.8688 4.8688 4.8973 4.8973 5.7963 5.7963 6.1622 6.1622 7.4398 7.4398 7.4423 7.4423 9.4069 9.4069 9.4629 9.4629 11.6038 11.6038 11.7324 11.7324 11.8043 11.8043 k = 0.3333 0.5774 0.2343 ( 6621 PWs) bands (ev): -19.4660 -19.4660 -19.4641 -19.4641 -6.1960 -6.1960 -6.1892 -6.1892 -4.2686 -4.2686 -4.2332 -4.2332 -4.2273 -4.2273 -4.1990 -4.1990 -0.3301 -0.3301 -0.2724 -0.2724 3.3415 3.3415 3.3795 3.3795 3.4083 3.4083 3.7444 3.7444 3.7757 3.7757 3.8481 3.8481 3.9122 3.9122 3.9471 3.9471 4.1790 4.1790 4.4021 4.4021 4.8685 4.8685 4.8972 4.8972 5.8366 5.8366 6.1198 6.1198 7.4436 7.4436 7.4448 7.4448 9.3927 9.3927 9.4500 9.4500 11.6544 11.6544 11.7900 11.7900 11.8622 11.8622 k = 0.3333 0.5774 0.2489 ( 6612 PWs) bands (ev): -19.4655 -19.4655 -19.4645 -19.4645 -6.1954 -6.1954 -6.1897 -6.1897 -4.2668 -4.2668 -4.2351 -4.2351 -4.2215 -4.2215 -4.2051 -4.2051 -0.3300 -0.3300 -0.2722 -0.2722 3.3411 3.3411 3.3794 3.3794 3.4083 3.4083 3.7443 3.7443 3.7760 3.7760 3.8476 3.8476 3.9123 3.9123 3.9478 3.9478 4.1786 4.1786 4.4023 4.4023 4.8683 4.8683 4.8971 4.8971 5.8687 5.8687 6.0864 6.0864 7.4460 7.4460 7.4463 7.4463 9.3841 9.3841 9.4421 9.4421 11.6891 11.6891 11.8438 11.8438 11.9083 11.9083 k = 0.3333 0.5774 0.2635 ( 6600 PWs) bands (ev): -19.4650 -19.4650 -19.4650 -19.4650 -6.1952 -6.1952 -6.1899 -6.1899 -4.2662 -4.2662 -4.2357 -4.2357 -4.2180 -4.2180 -4.2086 -4.2086 -0.3300 -0.3300 -0.2722 -0.2722 3.3410 3.3410 3.3793 3.3793 3.4084 3.4084 3.7442 3.7442 3.7761 3.7761 3.8475 3.8475 3.9123 3.9123 3.9481 3.9481 4.1785 4.1785 4.4024 4.4024 4.8683 4.8683 4.8971 4.8971 5.8820 5.8820 6.0726 6.0726 7.4468 7.4468 7.4469 7.4469 9.3812 9.3812 9.4395 9.4395 11.7017 11.7017 11.8742 11.8742 11.9395 11.9395 Writing output data file BaAgSb.save init_run : 0.38s CPU 0.56s WALL ( 1 calls) electrons : 247.75s CPU 250.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 247.74s CPU 250.73s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 271 calls) cegterg : 229.23s CPU 231.63s WALL ( 478 calls) Called by sum_band: Called by *egterg: h_psi : 129.39s CPU 130.81s WALL ( 7589 calls) s_psi : 11.17s CPU 11.11s WALL ( 7589 calls) g_psi : 0.31s CPU 0.41s WALL ( 6840 calls) cdiaghg : 72.22s CPU 72.90s WALL ( 7111 calls) cegterg:over : 10.73s CPU 10.79s WALL ( 6840 calls) cegterg:upda : 10.48s CPU 10.68s WALL ( 6840 calls) cegterg:last : 4.88s CPU 4.95s WALL ( 1189 calls) cdiaghg:chol : 4.21s CPU 4.23s WALL ( 7111 calls) cdiaghg:inve : 3.08s CPU 2.99s WALL ( 7111 calls) cdiaghg:para : 4.90s CPU 5.07s WALL ( 14222 calls) Called by h_psi: h_psi:vloc : 107.07s CPU 108.47s WALL ( 7589 calls) h_psi:vnl : 21.91s CPU 21.93s WALL ( 7589 calls) add_vuspsi : 11.95s CPU 11.96s WALL ( 7589 calls) General routines calbec : 9.91s CPU 9.94s WALL ( 7589 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 100.67s CPU 102.28s WALL ( 871196 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.27s WALL ( 542 calls) Parallel routines fft_scatter : 36.15s CPU 37.07s WALL ( 871219 calls) PWSCF : 4m28.86s CPU 4m41.46s WALL This run was terminated on: 18:20:32 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=