Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 4:59 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: ./BaLiSb.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 67 67 18 4958 4958 712 Max 69 69 19 4965 4965 723 Sum 2419 2419 673 178593 178593 25773 bravais-lattice index = 14 lattice parameter (alat) = 9.2563 a.u. unit-cell volume = 1263.9146 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.256256 celldm(2)= 1.000000 celldm(3)= 1.840268 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 1.840268 ) 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 0.543399 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 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 ) ( 0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( 0.9201339 ) 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 ) ( 0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( 0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( -0.9201339 ) 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 ) ( 0.9201339 ) 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 ) ( 0.9201339 ) 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= 269 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0131579 0.0075967 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0263158 0.0151934 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0394737 0.0227901 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0526316 0.0303869 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0657895 0.0379836 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0789474 0.0455803 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0921053 0.0531770 -0.0000000), wk = 0.0037175 k( 9) = ( 0.1052632 0.0607737 -0.0000000), wk = 0.0037175 k( 10) = ( 0.1184210 0.0683704 -0.0000000), wk = 0.0037175 k( 11) = ( 0.1315790 0.0759671 -0.0000000), wk = 0.0037175 k( 12) = ( 0.1447368 0.0835639 -0.0000000), wk = 0.0037175 k( 13) = ( 0.1578947 0.0911606 -0.0000000), wk = 0.0037175 k( 14) = ( 0.1710526 0.0987573 -0.0000000), wk = 0.0037175 k( 15) = ( 0.1842105 0.1063540 -0.0000000), wk = 0.0037175 k( 16) = ( 0.1973684 0.1139507 -0.0000000), wk = 0.0037175 k( 17) = ( 0.2105263 0.1215474 -0.0000000), wk = 0.0037175 k( 18) = ( 0.2236842 0.1291441 -0.0000000), wk = 0.0037175 k( 19) = ( 0.2368421 0.1367409 -0.0000000), wk = 0.0037175 k( 20) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037175 k( 21) = ( 0.2631579 0.1519343 -0.0000000), wk = 0.0037175 k( 22) = ( 0.2763158 0.1595310 -0.0000000), wk = 0.0037175 k( 23) = ( 0.2894737 0.1671277 -0.0000000), wk = 0.0037175 k( 24) = ( 0.3026316 0.1747244 -0.0000000), wk = 0.0037175 k( 25) = ( 0.3157895 0.1823211 -0.0000000), wk = 0.0037175 k( 26) = ( 0.3289474 0.1899179 -0.0000000), wk = 0.0037175 k( 27) = ( 0.3421053 0.1975146 -0.0000000), wk = 0.0037175 k( 28) = ( 0.3552632 0.2051113 -0.0000000), wk = 0.0037175 k( 29) = ( 0.3684211 0.2127080 -0.0000000), wk = 0.0037175 k( 30) = ( 0.3815789 0.2203047 -0.0000000), wk = 0.0037175 k( 31) = ( 0.3947368 0.2279014 -0.0000000), wk = 0.0037175 k( 32) = ( 0.4078947 0.2354981 -0.0000000), wk = 0.0037175 k( 33) = ( 0.4210526 0.2430948 -0.0000000), wk = 0.0037175 k( 34) = ( 0.4342105 0.2506916 -0.0000000), wk = 0.0037175 k( 35) = ( 0.4473684 0.2582883 -0.0000000), wk = 0.0037175 k( 36) = ( 0.4605263 0.2658850 -0.0000000), wk = 0.0037175 k( 37) = ( 0.4736842 0.2734817 -0.0000000), wk = 0.0037175 k( 38) = ( 0.4868421 0.2810784 -0.0000000), wk = 0.0037175 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 41) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0037175 k( 42) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0037175 k( 43) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0037175 k( 44) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0037175 k( 45) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0037175 k( 46) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0037175 k( 47) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0037175 k( 48) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0037175 k( 49) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0037175 k( 50) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0037175 k( 51) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0037175 k( 52) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0037175 k( 53) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0037175 k( 54) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0037175 k( 55) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0037175 k( 56) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0037175 k( 57) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0037175 k( 60) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0037175 k( 65) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0037175 k( 66) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0037175 k( 67) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0037175 k( 68) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0037175 k( 69) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0037175 k( 70) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0037175 k( 71) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0037175 k( 72) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0037175 k( 73) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0037175 k( 74) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0037175 k( 75) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0037175 k( 76) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0037175 k( 77) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0037175 k( 78) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0037175 k( 79) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0037175 k( 80) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0037175 k( 81) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0037175 k( 82) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0037175 k( 83) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0037175 k( 84) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0037175 k( 85) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0037175 k( 86) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0037175 k( 87) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0037175 k( 88) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0037175 k( 89) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0037175 k( 90) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0037175 k( 91) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0037175 k( 92) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0037175 k( 93) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0037175 k( 94) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0037175 k( 95) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0037175 k( 96) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0037175 k( 97) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0037175 k( 98) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0037175 k( 99) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0037175 k( 100) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0037175 k( 101) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0037175 k( 102) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0037175 k( 103) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0037175 k( 104) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0037175 k( 105) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0037175 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.0150944), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.0301888), wk = 0.0037175 k( 110) = ( 0.0000000 0.0000000 0.0452833), wk = 0.0037175 k( 111) = ( 0.0000000 0.0000000 0.0603777), wk = 0.0037175 k( 112) = ( 0.0000000 0.0000000 0.0754721), wk = 0.0037175 k( 113) = ( 0.0000000 0.0000000 0.0905665), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.1056609), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.1207554), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.1358498), wk = 0.0037175 k( 117) = ( 0.0000000 0.0000000 0.1509442), wk = 0.0037175 k( 118) = ( 0.0000000 0.0000000 0.1660386), wk = 0.0037175 k( 119) = ( 0.0000000 0.0000000 0.1811331), wk = 0.0037175 k( 120) = ( 0.0000000 0.0000000 0.1962275), wk = 0.0037175 k( 121) = ( 0.0000000 0.0000000 0.2113219), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.2264163), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.2415107), wk = 0.0037175 k( 124) = ( 0.0000000 0.0000000 0.2566052), wk = 0.0037175 k( 125) = ( 0.0000000 0.0000000 0.2716996), wk = 0.0037175 k( 126) = ( 0.0000000 0.0000000 0.2716996), wk = 0.0037175 k( 127) = ( 0.0131579 0.0075967 0.2716996), wk = 0.0037175 k( 128) = ( 0.0263158 0.0151934 0.2716996), wk = 0.0037175 k( 129) = ( 0.0394737 0.0227901 0.2716996), wk = 0.0037175 k( 130) = ( 0.0526316 0.0303869 0.2716996), wk = 0.0037175 k( 131) = ( 0.0657895 0.0379836 0.2716996), wk = 0.0037175 k( 132) = ( 0.0789474 0.0455803 0.2716996), wk = 0.0037175 k( 133) = ( 0.0921053 0.0531770 0.2716996), wk = 0.0037175 k( 134) = ( 0.1052632 0.0607737 0.2716996), wk = 0.0037175 k( 135) = ( 0.1184210 0.0683704 0.2716996), wk = 0.0037175 k( 136) = ( 0.1315790 0.0759671 0.2716996), wk = 0.0037175 k( 137) = ( 0.1447368 0.0835639 0.2716996), wk = 0.0037175 k( 138) = ( 0.1578947 0.0911606 0.2716996), wk = 0.0037175 k( 139) = ( 0.1710526 0.0987573 0.2716996), wk = 0.0037175 k( 140) = ( 0.1842105 0.1063540 0.2716996), wk = 0.0037175 k( 141) = ( 0.1973684 0.1139507 0.2716996), wk = 0.0037175 k( 142) = ( 0.2105263 0.1215474 0.2716996), wk = 0.0037175 k( 143) = ( 0.2236842 0.1291441 0.2716996), wk = 0.0037175 k( 144) = ( 0.2368421 0.1367409 0.2716996), wk = 0.0037175 k( 145) = ( 0.2500000 0.1443376 0.2716996), wk = 0.0037175 k( 146) = ( 0.2631579 0.1519343 0.2716996), wk = 0.0037175 k( 147) = ( 0.2763158 0.1595310 0.2716996), wk = 0.0037175 k( 148) = ( 0.2894737 0.1671277 0.2716996), wk = 0.0037175 k( 149) = ( 0.3026316 0.1747244 0.2716996), wk = 0.0037175 k( 150) = ( 0.3157895 0.1823211 0.2716996), wk = 0.0037175 k( 151) = ( 0.3289474 0.1899179 0.2716996), wk = 0.0037175 k( 152) = ( 0.3421053 0.1975146 0.2716996), wk = 0.0037175 k( 153) = ( 0.3552632 0.2051113 0.2716996), wk = 0.0037175 k( 154) = ( 0.3684211 0.2127080 0.2716996), wk = 0.0037175 k( 155) = ( 0.3815789 0.2203047 0.2716996), wk = 0.0037175 k( 156) = ( 0.3947368 0.2279014 0.2716996), wk = 0.0037175 k( 157) = ( 0.4078947 0.2354981 0.2716996), wk = 0.0037175 k( 158) = ( 0.4210526 0.2430948 0.2716996), wk = 0.0037175 k( 159) = ( 0.4342105 0.2506916 0.2716996), wk = 0.0037175 k( 160) = ( 0.4473684 0.2582883 0.2716996), wk = 0.0037175 k( 161) = ( 0.4605263 0.2658850 0.2716996), wk = 0.0037175 k( 162) = ( 0.4736842 0.2734817 0.2716996), wk = 0.0037175 k( 163) = ( 0.4868421 0.2810784 0.2716996), wk = 0.0037175 k( 164) = ( 0.5000000 0.2886751 0.2716996), wk = 0.0037175 k( 165) = ( 0.5000000 0.2886751 0.2716996), wk = 0.0037175 k( 166) = ( 0.4924242 0.3017967 0.2716996), wk = 0.0037175 k( 167) = ( 0.4848485 0.3149183 0.2716996), wk = 0.0037175 k( 168) = ( 0.4772727 0.3280399 0.2716996), wk = 0.0037175 k( 169) = ( 0.4696970 0.3411615 0.2716996), wk = 0.0037175 k( 170) = ( 0.4621212 0.3542831 0.2716996), wk = 0.0037175 k( 171) = ( 0.4545455 0.3674047 0.2716996), wk = 0.0037175 k( 172) = ( 0.4469697 0.3805263 0.2716996), wk = 0.0037175 k( 173) = ( 0.4393939 0.3936479 0.2716996), wk = 0.0037175 k( 174) = ( 0.4318182 0.4067695 0.2716996), wk = 0.0037175 k( 175) = ( 0.4242424 0.4198911 0.2716996), wk = 0.0037175 k( 176) = ( 0.4166667 0.4330127 0.2716996), wk = 0.0037175 k( 177) = ( 0.4090909 0.4461343 0.2716996), wk = 0.0037175 k( 178) = ( 0.4015151 0.4592559 0.2716996), wk = 0.0037175 k( 179) = ( 0.3939394 0.4723775 0.2716996), wk = 0.0037175 k( 180) = ( 0.3863636 0.4854991 0.2716996), wk = 0.0037175 k( 181) = ( 0.3787879 0.4986207 0.2716996), wk = 0.0037175 k( 182) = ( 0.3712121 0.5117423 0.2716996), wk = 0.0037175 k( 183) = ( 0.3636364 0.5248639 0.2716996), wk = 0.0037175 k( 184) = ( 0.3560606 0.5379855 0.2716996), wk = 0.0037175 k( 185) = ( 0.3484849 0.5511071 0.2716996), wk = 0.0037175 k( 186) = ( 0.3409091 0.5642287 0.2716996), wk = 0.0037175 k( 187) = ( 0.3333333 0.5773503 0.2716996), wk = 0.0037175 k( 188) = ( 0.3333333 0.5773503 0.2716996), wk = 0.0037175 k( 189) = ( 0.3255814 0.5639235 0.2716996), wk = 0.0037175 k( 190) = ( 0.3178295 0.5504968 0.2716996), wk = 0.0037175 k( 191) = ( 0.3100775 0.5370700 0.2716996), wk = 0.0037175 k( 192) = ( 0.3023256 0.5236433 0.2716996), wk = 0.0037175 k( 193) = ( 0.2945736 0.5102165 0.2716996), wk = 0.0037175 k( 194) = ( 0.2868217 0.4967898 0.2716996), wk = 0.0037175 k( 195) = ( 0.2790698 0.4833630 0.2716996), wk = 0.0037175 k( 196) = ( 0.2713178 0.4699363 0.2716996), wk = 0.0037175 k( 197) = ( 0.2635659 0.4565095 0.2716996), wk = 0.0037175 k( 198) = ( 0.2558140 0.4430828 0.2716996), wk = 0.0037175 k( 199) = ( 0.2480620 0.4296560 0.2716996), wk = 0.0037175 k( 200) = ( 0.2403101 0.4162293 0.2716996), wk = 0.0037175 k( 201) = ( 0.2325581 0.4028025 0.2716996), wk = 0.0037175 k( 202) = ( 0.2248062 0.3893758 0.2716996), wk = 0.0037175 k( 203) = ( 0.2170543 0.3759490 0.2716996), wk = 0.0037175 k( 204) = ( 0.2093023 0.3625223 0.2716996), wk = 0.0037175 k( 205) = ( 0.2015504 0.3490955 0.2716996), wk = 0.0037175 k( 206) = ( 0.1937985 0.3356688 0.2716996), wk = 0.0037175 k( 207) = ( 0.1860465 0.3222420 0.2716996), wk = 0.0037175 k( 208) = ( 0.1782946 0.3088153 0.2716996), wk = 0.0037175 k( 209) = ( 0.1705426 0.2953885 0.2716996), wk = 0.0037175 k( 210) = ( 0.1627907 0.2819618 0.2716996), wk = 0.0037175 k( 211) = ( 0.1550388 0.2685350 0.2716996), wk = 0.0037175 k( 212) = ( 0.1472868 0.2551083 0.2716996), wk = 0.0037175 k( 213) = ( 0.1395349 0.2416815 0.2716996), wk = 0.0037175 k( 214) = ( 0.1317830 0.2282548 0.2716996), wk = 0.0037175 k( 215) = ( 0.1240310 0.2148280 0.2716996), wk = 0.0037175 k( 216) = ( 0.1162791 0.2014013 0.2716996), wk = 0.0037175 k( 217) = ( 0.1085271 0.1879745 0.2716996), wk = 0.0037175 k( 218) = ( 0.1007752 0.1745477 0.2716996), wk = 0.0037175 k( 219) = ( 0.0930233 0.1611210 0.2716996), wk = 0.0037175 k( 220) = ( 0.0852713 0.1476943 0.2716996), wk = 0.0037175 k( 221) = ( 0.0775194 0.1342675 0.2716996), wk = 0.0037175 k( 222) = ( 0.0697674 0.1208408 0.2716996), wk = 0.0037175 k( 223) = ( 0.0620155 0.1074140 0.2716996), wk = 0.0037175 k( 224) = ( 0.0542636 0.0939873 0.2716996), wk = 0.0037175 k( 225) = ( 0.0465116 0.0805605 0.2716996), wk = 0.0037175 k( 226) = ( 0.0387597 0.0671338 0.2716996), wk = 0.0037175 k( 227) = ( 0.0310078 0.0537070 0.2716996), wk = 0.0037175 k( 228) = ( 0.0232558 0.0402802 0.2716996), wk = 0.0037175 k( 229) = ( 0.0155039 0.0268535 0.2716996), wk = 0.0037175 k( 230) = ( 0.0077519 0.0134268 0.2716996), wk = 0.0037175 k( 231) = ( 0.0000000 0.0000000 0.2716996), wk = 0.0037175 k( 232) = ( 0.5000000 0.2886751 0.2716996), wk = 0.0037175 k( 233) = ( 0.5000000 0.2886751 0.2566052), wk = 0.0037175 k( 234) = ( 0.5000000 0.2886751 0.2415107), wk = 0.0037175 k( 235) = ( 0.5000000 0.2886751 0.2264163), wk = 0.0037175 k( 236) = ( 0.5000000 0.2886751 0.2113219), wk = 0.0037175 k( 237) = ( 0.5000000 0.2886751 0.1962275), wk = 0.0037175 k( 238) = ( 0.5000000 0.2886751 0.1811331), wk = 0.0037175 k( 239) = ( 0.5000000 0.2886751 0.1660386), wk = 0.0037175 k( 240) = ( 0.5000000 0.2886751 0.1509442), wk = 0.0037175 k( 241) = ( 0.5000000 0.2886751 0.1358498), wk = 0.0037175 k( 242) = ( 0.5000000 0.2886751 0.1207554), wk = 0.0037175 k( 243) = ( 0.5000000 0.2886751 0.1056609), wk = 0.0037175 k( 244) = ( 0.5000000 0.2886751 0.0905665), wk = 0.0037175 k( 245) = ( 0.5000000 0.2886751 0.0754721), wk = 0.0037175 k( 246) = ( 0.5000000 0.2886751 0.0603777), wk = 0.0037175 k( 247) = ( 0.5000000 0.2886751 0.0452833), wk = 0.0037175 k( 248) = ( 0.5000000 0.2886751 0.0301888), wk = 0.0037175 k( 249) = ( 0.5000000 0.2886751 0.0150944), wk = 0.0037175 k( 250) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037175 k( 251) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037175 k( 252) = ( 0.3333333 0.5773503 0.0150944), wk = 0.0037175 k( 253) = ( 0.3333333 0.5773503 0.0301888), wk = 0.0037175 k( 254) = ( 0.3333333 0.5773503 0.0452833), wk = 0.0037175 k( 255) = ( 0.3333333 0.5773503 0.0603777), wk = 0.0037175 k( 256) = ( 0.3333333 0.5773503 0.0754721), wk = 0.0037175 k( 257) = ( 0.3333333 0.5773503 0.0905665), wk = 0.0037175 k( 258) = ( 0.3333333 0.5773503 0.1056609), wk = 0.0037175 k( 259) = ( 0.3333333 0.5773503 0.1207554), wk = 0.0037175 k( 260) = ( 0.3333333 0.5773503 0.1358498), wk = 0.0037175 k( 261) = ( 0.3333333 0.5773503 0.1509442), wk = 0.0037175 k( 262) = ( 0.3333333 0.5773503 0.1660386), wk = 0.0037175 k( 263) = ( 0.3333333 0.5773503 0.1811331), wk = 0.0037175 k( 264) = ( 0.3333333 0.5773503 0.1962275), wk = 0.0037175 k( 265) = ( 0.3333333 0.5773503 0.2113219), wk = 0.0037175 k( 266) = ( 0.3333333 0.5773503 0.2264163), wk = 0.0037175 k( 267) = ( 0.3333333 0.5773503 0.2415107), wk = 0.0037175 k( 268) = ( 0.3333333 0.5773503 0.2566052), wk = 0.0037175 k( 269) = ( 0.3333333 0.5773503 0.2716996), wk = 0.0037175 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 2) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0037175 k( 3) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0037175 k( 4) = ( 0.0394737 -0.0000000 -0.0000000), wk = 0.0037175 k( 5) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0037175 k( 6) = ( 0.0657895 0.0000000 -0.0000000), wk = 0.0037175 k( 7) = ( 0.0789474 -0.0000000 -0.0000000), wk = 0.0037175 k( 8) = ( 0.0921053 -0.0000000 -0.0000000), wk = 0.0037175 k( 9) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0037175 k( 10) = ( 0.1184210 -0.0000000 -0.0000000), wk = 0.0037175 k( 11) = ( 0.1315790 0.0000000 -0.0000000), wk = 0.0037175 k( 12) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0037175 k( 13) = ( 0.1578947 -0.0000000 -0.0000000), wk = 0.0037175 k( 14) = ( 0.1710526 0.0000000 -0.0000000), wk = 0.0037175 k( 15) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0037175 k( 16) = ( 0.1973684 -0.0000000 0.0000000), wk = 0.0037175 k( 17) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0037175 k( 18) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0037175 k( 19) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0037175 k( 20) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0037175 k( 21) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0037175 k( 22) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0037175 k( 23) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0037175 k( 24) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0037175 k( 25) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0037175 k( 26) = ( 0.3289474 -0.0000000 -0.0000000), wk = 0.0037175 k( 27) = ( 0.3421053 0.0000000 -0.0000000), wk = 0.0037175 k( 28) = ( 0.3552632 0.0000000 -0.0000000), wk = 0.0037175 k( 29) = ( 0.3684211 0.0000000 -0.0000000), wk = 0.0037175 k( 30) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0037175 k( 31) = ( 0.3947368 -0.0000000 0.0000000), wk = 0.0037175 k( 32) = ( 0.4078947 -0.0000000 -0.0000000), wk = 0.0037175 k( 33) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0037175 k( 34) = ( 0.4342105 -0.0000000 0.0000000), wk = 0.0037175 k( 35) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0037175 k( 36) = ( 0.4605263 -0.0000000 -0.0000000), wk = 0.0037175 k( 37) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0037175 k( 38) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0037175 k( 39) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037175 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037175 k( 41) = ( 0.4924242 0.0151515 -0.0000000), wk = 0.0037175 k( 42) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0037175 k( 43) = ( 0.4772727 0.0454545 -0.0000000), wk = 0.0037175 k( 44) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0037175 k( 45) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0037175 k( 46) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0037175 k( 47) = ( 0.4469697 0.1060606 -0.0000000), wk = 0.0037175 k( 48) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0037175 k( 49) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0037175 k( 50) = ( 0.4242424 0.1515151 0.0000000), wk = 0.0037175 k( 51) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0037175 k( 52) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0037175 k( 53) = ( 0.4015151 0.1969697 -0.0000000), wk = 0.0037175 k( 54) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0037175 k( 55) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0037175 k( 56) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0037175 k( 57) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0037175 k( 58) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0037175 k( 59) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0037175 k( 60) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0037175 k( 61) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0037175 k( 62) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 64) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0037175 k( 65) = ( 0.3178295 0.3178295 0.0000000), wk = 0.0037175 k( 66) = ( 0.3100775 0.3100775 -0.0000000), wk = 0.0037175 k( 67) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0037175 k( 68) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0037175 k( 69) = ( 0.2868217 0.2868217 -0.0000000), wk = 0.0037175 k( 70) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0037175 k( 71) = ( 0.2713178 0.2713178 -0.0000000), wk = 0.0037175 k( 72) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0037175 k( 73) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0037175 k( 74) = ( 0.2480620 0.2480620 -0.0000000), wk = 0.0037175 k( 75) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0037175 k( 76) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0037175 k( 77) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0037175 k( 78) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0037175 k( 79) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0037175 k( 80) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0037175 k( 81) = ( 0.1937985 0.1937985 -0.0000000), wk = 0.0037175 k( 82) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0037175 k( 83) = ( 0.1782946 0.1782946 -0.0000000), wk = 0.0037175 k( 84) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0037175 k( 85) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0037175 k( 86) = ( 0.1550388 0.1550388 -0.0000000), wk = 0.0037175 k( 87) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0037175 k( 88) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0037175 k( 89) = ( 0.1317830 0.1317830 -0.0000000), wk = 0.0037175 k( 90) = ( 0.1240310 0.1240310 -0.0000000), wk = 0.0037175 k( 91) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0037175 k( 92) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0037175 k( 93) = ( 0.1007752 0.1007752 -0.0000000), wk = 0.0037175 k( 94) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0037175 k( 95) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0037175 k( 96) = ( 0.0775194 0.0775194 -0.0000000), wk = 0.0037175 k( 97) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0037175 k( 98) = ( 0.0620155 0.0620155 -0.0000000), wk = 0.0037175 k( 99) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0037175 k( 100) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0037175 k( 101) = ( 0.0387597 0.0387597 -0.0000000), wk = 0.0037175 k( 102) = ( 0.0310078 0.0310077 -0.0000000), wk = 0.0037175 k( 103) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0037175 k( 104) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0037175 k( 105) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0037175 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037175 k( 108) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0037175 k( 109) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0037175 k( 110) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0037175 k( 111) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0037175 k( 112) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0037175 k( 113) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0037175 k( 114) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0037175 k( 115) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0037175 k( 116) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0037175 k( 117) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0037175 k( 118) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0037175 k( 119) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0037175 k( 120) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0037175 k( 121) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0037175 k( 122) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0037175 k( 123) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0037175 k( 124) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0037175 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 127) = ( 0.0131579 -0.0000000 0.5000000), wk = 0.0037175 k( 128) = ( 0.0263158 -0.0000000 0.5000000), wk = 0.0037175 k( 129) = ( 0.0394737 -0.0000000 0.5000000), wk = 0.0037175 k( 130) = ( 0.0526316 -0.0000000 0.5000000), wk = 0.0037175 k( 131) = ( 0.0657895 0.0000000 0.5000000), wk = 0.0037175 k( 132) = ( 0.0789474 -0.0000000 0.5000000), wk = 0.0037175 k( 133) = ( 0.0921053 -0.0000000 0.5000000), wk = 0.0037175 k( 134) = ( 0.1052632 -0.0000000 0.5000000), wk = 0.0037175 k( 135) = ( 0.1184210 -0.0000000 0.5000000), wk = 0.0037175 k( 136) = ( 0.1315790 0.0000000 0.5000000), wk = 0.0037175 k( 137) = ( 0.1447368 -0.0000000 0.5000000), wk = 0.0037175 k( 138) = ( 0.1578947 -0.0000000 0.5000000), wk = 0.0037175 k( 139) = ( 0.1710526 0.0000000 0.5000000), wk = 0.0037175 k( 140) = ( 0.1842105 -0.0000000 0.5000000), wk = 0.0037175 k( 141) = ( 0.1973684 -0.0000000 0.5000000), wk = 0.0037175 k( 142) = ( 0.2105263 -0.0000000 0.5000000), wk = 0.0037175 k( 143) = ( 0.2236842 -0.0000000 0.5000000), wk = 0.0037175 k( 144) = ( 0.2368421 -0.0000000 0.5000000), wk = 0.0037175 k( 145) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037175 k( 146) = ( 0.2631579 -0.0000000 0.5000000), wk = 0.0037175 k( 147) = ( 0.2763158 -0.0000000 0.5000000), wk = 0.0037175 k( 148) = ( 0.2894737 -0.0000000 0.5000000), wk = 0.0037175 k( 149) = ( 0.3026316 -0.0000000 0.5000000), wk = 0.0037175 k( 150) = ( 0.3157895 -0.0000000 0.5000000), wk = 0.0037175 k( 151) = ( 0.3289474 -0.0000000 0.5000000), wk = 0.0037175 k( 152) = ( 0.3421053 0.0000000 0.5000000), wk = 0.0037175 k( 153) = ( 0.3552632 0.0000000 0.5000000), wk = 0.0037175 k( 154) = ( 0.3684211 0.0000000 0.5000000), wk = 0.0037175 k( 155) = ( 0.3815789 -0.0000000 0.5000000), wk = 0.0037175 k( 156) = ( 0.3947368 -0.0000000 0.5000000), wk = 0.0037175 k( 157) = ( 0.4078947 -0.0000000 0.5000000), wk = 0.0037175 k( 158) = ( 0.4210526 -0.0000000 0.5000000), wk = 0.0037175 k( 159) = ( 0.4342105 -0.0000000 0.5000000), wk = 0.0037175 k( 160) = ( 0.4473684 -0.0000000 0.5000000), wk = 0.0037175 k( 161) = ( 0.4605263 -0.0000000 0.5000000), wk = 0.0037175 k( 162) = ( 0.4736842 -0.0000000 0.5000000), wk = 0.0037175 k( 163) = ( 0.4868421 -0.0000000 0.5000000), wk = 0.0037175 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 165) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 166) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0037175 k( 167) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0037175 k( 168) = ( 0.4772727 0.0454545 0.5000000), wk = 0.0037175 k( 169) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0037175 k( 170) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0037175 k( 171) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0037175 k( 172) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0037175 k( 173) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0037175 k( 174) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0037175 k( 175) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0037175 k( 176) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0037175 k( 177) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0037175 k( 178) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0037175 k( 179) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0037175 k( 180) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0037175 k( 181) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0037175 k( 182) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0037175 k( 183) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0037175 k( 184) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0037175 k( 185) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0037175 k( 186) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0037175 k( 187) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 k( 188) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 k( 189) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0037175 k( 190) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0037175 k( 191) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0037175 k( 192) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0037175 k( 193) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0037175 k( 194) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0037175 k( 195) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0037175 k( 196) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0037175 k( 197) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0037175 k( 198) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0037175 k( 199) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0037175 k( 200) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0037175 k( 201) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0037175 k( 202) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0037175 k( 203) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0037175 k( 204) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0037175 k( 205) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0037175 k( 206) = ( 0.1937985 0.1937985 0.5000000), wk = 0.0037175 k( 207) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0037175 k( 208) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0037175 k( 209) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0037175 k( 210) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0037175 k( 211) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0037175 k( 212) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0037175 k( 213) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0037175 k( 214) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0037175 k( 215) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0037175 k( 216) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0037175 k( 217) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0037175 k( 218) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0037175 k( 219) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0037175 k( 220) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0037175 k( 221) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0037175 k( 222) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0037175 k( 223) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0037175 k( 224) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0037175 k( 225) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0037175 k( 226) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0037175 k( 227) = ( 0.0310078 0.0310077 0.5000000), wk = 0.0037175 k( 228) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0037175 k( 229) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0037175 k( 230) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0037175 k( 231) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037175 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037175 k( 233) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0037175 k( 234) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0037175 k( 235) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0037175 k( 236) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0037175 k( 237) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0037175 k( 238) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0037175 k( 239) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0037175 k( 240) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0037175 k( 241) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0037175 k( 242) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0037175 k( 243) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0037175 k( 244) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0037175 k( 245) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0037175 k( 246) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0037175 k( 247) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0037175 k( 248) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0037175 k( 249) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0037175 k( 250) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037175 k( 251) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037175 k( 252) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0037175 k( 253) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0037175 k( 254) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0037175 k( 255) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0037175 k( 256) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0037175 k( 257) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0037175 k( 258) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0037175 k( 259) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0037175 k( 260) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0037175 k( 261) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0037175 k( 262) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0037175 k( 263) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0037175 k( 264) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0037175 k( 265) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0037175 k( 266) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0037175 k( 267) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0037175 k( 268) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0037175 k( 269) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037175 Dense grid: 178593 G-vectors FFT dimensions: ( 60, 60, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.84 Mb ( 1254, 44) NL pseudopotentials 1.59 Mb ( 627, 166) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 4965) G-vector shells 0.02 Mb ( 2297) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.37 Mb ( 1254, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 166, 2, 44) The potential is recalculated from file : ./BaLiSb.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.8 secs Computing kpt #: 5 total cpu time spent up to now is 10.6 secs Computing kpt #: 6 total cpu time spent up to now is 12.6 secs Computing kpt #: 7 total cpu time spent up to now is 14.2 secs Computing kpt #: 8 total cpu time spent up to now is 15.9 secs Computing kpt #: 9 total cpu time spent up to now is 17.5 secs Computing kpt #: 10 total cpu time spent up to now is 19.1 secs Computing kpt #: 11 total cpu time spent up to now is 20.6 secs Computing kpt #: 12 total cpu time spent up to now is 22.2 secs Computing kpt #: 13 total cpu time spent up to now is 23.7 secs Computing kpt #: 14 total cpu time spent up to now is 25.3 secs Computing kpt #: 15 total cpu time spent up to now is 26.9 secs Computing kpt #: 16 total cpu time spent up to now is 28.3 secs Computing kpt #: 17 total cpu time spent up to now is 30.1 secs Computing kpt #: 18 total cpu time spent up to now is 31.7 secs Computing kpt #: 19 total cpu time spent up to now is 33.5 secs Computing kpt #: 20 total cpu time spent up to now is 35.4 secs Computing kpt #: 21 total cpu time spent up to now is 37.3 secs Computing kpt #: 22 total cpu time spent up to now is 39.2 secs Computing kpt #: 23 total cpu time spent up to now is 41.1 secs Computing kpt #: 24 total cpu time spent up to now is 43.1 secs Computing kpt #: 25 total cpu time spent up to now is 45.1 secs Computing kpt #: 26 total cpu time spent up to now is 47.1 secs Computing kpt #: 27 total cpu time spent up to now is 49.3 secs Computing kpt #: 28 total cpu time spent up to now is 51.3 secs Computing kpt #: 29 total cpu time spent up to now is 53.5 secs Computing kpt #: 30 total cpu time spent up to now is 55.6 secs Computing kpt #: 31 total cpu time spent up to now is 57.8 secs Computing kpt #: 32 total cpu time spent up to now is 59.6 secs Computing kpt #: 33 total cpu time spent up to now is 61.2 secs Computing kpt #: 34 total cpu time spent up to now is 63.0 secs Computing kpt #: 35 total cpu time spent up to now is 64.7 secs Computing kpt #: 36 total cpu time spent up to now is 66.3 secs Computing kpt #: 37 total cpu time spent up to now is 67.9 secs Computing kpt #: 38 total cpu time spent up to now is 69.5 secs Computing kpt #: 39 total cpu time spent up to now is 71.1 secs Computing kpt #: 40 total cpu time spent up to now is 72.6 secs Computing kpt #: 41 total cpu time spent up to now is 74.1 secs Computing kpt #: 42 total cpu time spent up to now is 75.6 secs Computing kpt #: 43 total cpu time spent up to now is 76.8 secs Computing kpt #: 44 total cpu time spent up to now is 78.0 secs Computing kpt #: 45 total cpu time spent up to now is 79.2 secs Computing kpt #: 46 total cpu time spent up to now is 80.4 secs Computing kpt #: 47 total cpu time spent up to now is 81.7 secs Computing kpt #: 48 total cpu time spent up to now is 83.0 secs Computing kpt #: 49 total cpu time spent up to now is 84.4 secs Computing kpt #: 50 total cpu time spent up to now is 85.6 secs Computing kpt #: 51 total cpu time spent up to now is 87.0 secs Computing kpt #: 52 total cpu time spent up to now is 88.2 secs Computing kpt #: 53 total cpu time spent up to now is 89.4 secs Computing kpt #: 54 total cpu time spent up to now is 90.8 secs Computing kpt #: 55 total cpu time spent up to now is 92.2 secs Computing kpt #: 56 total cpu time spent up to now is 93.4 secs Computing kpt #: 57 total cpu time spent up to now is 94.6 secs Computing kpt #: 58 total cpu time spent up to now is 95.8 secs Computing kpt #: 59 total cpu time spent up to now is 97.0 secs Computing kpt #: 60 total cpu time spent up to now is 98.3 secs Computing kpt #: 61 total cpu time spent up to now is 99.5 secs Computing kpt #: 62 total cpu time spent up to now is 100.7 secs Computing kpt #: 63 total cpu time spent up to now is 101.9 secs Computing kpt #: 64 total cpu time spent up to now is 103.1 secs Computing kpt #: 65 total cpu time spent up to now is 104.5 secs Computing kpt #: 66 total cpu time spent up to now is 105.7 secs Computing kpt #: 67 total cpu time spent up to now is 106.9 secs Computing kpt #: 68 total cpu time spent up to now is 108.1 secs Computing kpt #: 69 total cpu time spent up to now is 109.3 secs Computing kpt #: 70 total cpu time spent up to now is 110.9 secs Computing kpt #: 71 total cpu time spent up to now is 112.2 secs Computing kpt #: 72 total cpu time spent up to now is 113.4 secs Computing kpt #: 73 total cpu time spent up to now is 114.6 secs Computing kpt #: 74 total cpu time spent up to now is 115.8 secs Computing kpt #: 75 total cpu time spent up to now is 117.0 secs Computing kpt #: 76 total cpu time spent up to now is 118.2 secs Computing kpt #: 77 total cpu time spent up to now is 119.4 secs Computing kpt #: 78 total cpu time spent up to now is 120.8 secs Computing kpt #: 79 total cpu time spent up to now is 122.4 secs Computing kpt #: 80 total cpu time spent up to now is 124.0 secs Computing kpt #: 81 total cpu time spent up to now is 125.9 secs Computing kpt #: 82 total cpu time spent up to now is 127.5 secs Computing kpt #: 83 total cpu time spent up to now is 129.2 secs Computing kpt #: 84 total cpu time spent up to now is 130.7 secs Computing kpt #: 85 total cpu time spent up to now is 132.2 secs Computing kpt #: 86 total cpu time spent up to now is 133.7 secs Computing kpt #: 87 total cpu time spent up to now is 135.1 secs Computing kpt #: 88 total cpu time spent up to now is 136.5 secs Computing kpt #: 89 total cpu time spent up to now is 138.0 secs Computing kpt #: 90 total cpu time spent up to now is 139.4 secs Computing kpt #: 91 total cpu time spent up to now is 140.8 secs Computing kpt #: 92 total cpu time spent up to now is 142.3 secs Computing kpt #: 93 total cpu time spent up to now is 143.7 secs Computing kpt #: 94 total cpu time spent up to now is 145.1 secs Computing kpt #: 95 total cpu time spent up to now is 146.6 secs Computing kpt #: 96 total cpu time spent up to now is 148.0 secs Computing kpt #: 97 total cpu time spent up to now is 149.4 secs Computing kpt #: 98 total cpu time spent up to now is 151.0 secs Computing kpt #: 99 total cpu time spent up to now is 152.7 secs Computing kpt #: 100 total cpu time spent up to now is 154.3 secs Computing kpt #: 101 total cpu time spent up to now is 156.1 secs Computing kpt #: 102 total cpu time spent up to now is 157.8 secs Computing kpt #: 103 total cpu time spent up to now is 159.4 secs Computing kpt #: 104 total cpu time spent up to now is 161.0 secs Computing kpt #: 105 total cpu time spent up to now is 162.4 secs Computing kpt #: 106 total cpu time spent up to now is 163.9 secs Computing kpt #: 107 total cpu time spent up to now is 165.3 secs Computing kpt #: 108 total cpu time spent up to now is 166.7 secs Computing kpt #: 109 total cpu time spent up to now is 168.1 secs Computing kpt #: 110 total cpu time spent up to now is 169.6 secs Computing kpt #: 111 total cpu time spent up to now is 171.0 secs Computing kpt #: 112 total cpu time spent up to now is 172.5 secs Computing kpt #: 113 total cpu time spent up to now is 173.9 secs Computing kpt #: 114 total cpu time spent up to now is 175.5 secs Computing kpt #: 115 total cpu time spent up to now is 177.1 secs Computing kpt #: 116 total cpu time spent up to now is 179.0 secs Computing kpt #: 117 total cpu time spent up to now is 181.3 secs Computing kpt #: 118 total cpu time spent up to now is 183.6 secs Computing kpt #: 119 total cpu time spent up to now is 185.8 secs Computing kpt #: 120 total cpu time spent up to now is 188.1 secs Computing kpt #: 121 total cpu time spent up to now is 190.1 secs Computing kpt #: 122 total cpu time spent up to now is 192.0 secs Computing kpt #: 123 total cpu time spent up to now is 193.7 secs Computing kpt #: 124 total cpu time spent up to now is 195.4 secs Computing kpt #: 125 total cpu time spent up to now is 197.1 secs Computing kpt #: 126 total cpu time spent up to now is 198.5 secs Computing kpt #: 127 total cpu time spent up to now is 200.3 secs Computing kpt #: 128 total cpu time spent up to now is 202.0 secs Computing kpt #: 129 total cpu time spent up to now is 203.8 secs Computing kpt #: 130 total cpu time spent up to now is 205.5 secs Computing kpt #: 131 total cpu time spent up to now is 207.2 secs Computing kpt #: 132 total cpu time spent up to now is 208.8 secs Computing kpt #: 133 total cpu time spent up to now is 210.6 secs Computing kpt #: 134 total cpu time spent up to now is 212.3 secs Computing kpt #: 135 total cpu time spent up to now is 213.9 secs Computing kpt #: 136 total cpu time spent up to now is 215.6 secs Computing kpt #: 137 total cpu time spent up to now is 217.5 secs Computing kpt #: 138 total cpu time spent up to now is 219.3 secs Computing kpt #: 139 total cpu time spent up to now is 221.1 secs Computing kpt #: 140 total cpu time spent up to now is 222.7 secs Computing kpt #: 141 total cpu time spent up to now is 224.4 secs Computing kpt #: 142 total cpu time spent up to now is 226.0 secs Computing kpt #: 143 total cpu time spent up to now is 227.6 secs Computing kpt #: 144 total cpu time spent up to now is 229.2 secs Computing kpt #: 145 total cpu time spent up to now is 230.6 secs Computing kpt #: 146 total cpu time spent up to now is 231.8 secs Computing kpt #: 147 total cpu time spent up to now is 233.0 secs Computing kpt #: 148 total cpu time spent up to now is 234.2 secs Computing kpt #: 149 total cpu time spent up to now is 235.3 secs Computing kpt #: 150 total cpu time spent up to now is 236.5 secs Computing kpt #: 151 total cpu time spent up to now is 237.7 secs Computing kpt #: 152 total cpu time spent up to now is 238.9 secs Computing kpt #: 153 total cpu time spent up to now is 240.1 secs Computing kpt #: 154 total cpu time spent up to now is 241.2 secs Computing kpt #: 155 total cpu time spent up to now is 242.4 secs Computing kpt #: 156 total cpu time spent up to now is 243.6 secs Computing kpt #: 157 total cpu time spent up to now is 244.7 secs Computing kpt #: 158 total cpu time spent up to now is 245.9 secs Computing kpt #: 159 total cpu time spent up to now is 247.1 secs Computing kpt #: 160 total cpu time spent up to now is 248.2 secs Computing kpt #: 161 total cpu time spent up to now is 249.4 secs Computing kpt #: 162 total cpu time spent up to now is 250.5 secs Computing kpt #: 163 total cpu time spent up to now is 251.7 secs Computing kpt #: 164 total cpu time spent up to now is 252.8 secs Computing kpt #: 165 total cpu time spent up to now is 254.0 secs Computing kpt #: 166 total cpu time spent up to now is 255.1 secs Computing kpt #: 167 total cpu time spent up to now is 256.3 secs Computing kpt #: 168 total cpu time spent up to now is 257.4 secs Computing kpt #: 169 total cpu time spent up to now is 258.6 secs Computing kpt #: 170 total cpu time spent up to now is 259.8 secs Computing kpt #: 171 total cpu time spent up to now is 261.0 secs Computing kpt #: 172 total cpu time spent up to now is 262.1 secs Computing kpt #: 173 total cpu time spent up to now is 263.3 secs Computing kpt #: 174 total cpu time spent up to now is 264.5 secs Computing kpt #: 175 total cpu time spent up to now is 265.7 secs Computing kpt #: 176 total cpu time spent up to now is 266.9 secs Computing kpt #: 177 total cpu time spent up to now is 268.1 secs Computing kpt #: 178 total cpu time spent up to now is 269.3 secs Computing kpt #: 179 total cpu time spent up to now is 270.8 secs Computing kpt #: 180 total cpu time spent up to now is 272.3 secs Computing kpt #: 181 total cpu time spent up to now is 273.9 secs Computing kpt #: 182 total cpu time spent up to now is 275.4 secs Computing kpt #: 183 total cpu time spent up to now is 276.9 secs Computing kpt #: 184 total cpu time spent up to now is 278.5 secs Computing kpt #: 185 total cpu time spent up to now is 280.0 secs Computing kpt #: 186 total cpu time spent up to now is 281.5 secs Computing kpt #: 187 total cpu time spent up to now is 283.1 secs Computing kpt #: 188 total cpu time spent up to now is 284.7 secs Computing kpt #: 189 total cpu time spent up to now is 286.2 secs Computing kpt #: 190 total cpu time spent up to now is 287.7 secs Computing kpt #: 191 total cpu time spent up to now is 289.3 secs Computing kpt #: 192 total cpu time spent up to now is 290.8 secs Computing kpt #: 193 total cpu time spent up to now is 292.3 secs Computing kpt #: 194 total cpu time spent up to now is 293.7 secs Computing kpt #: 195 total cpu time spent up to now is 295.2 secs Computing kpt #: 196 total cpu time spent up to now is 296.4 secs Computing kpt #: 197 total cpu time spent up to now is 297.6 secs Computing kpt #: 198 total cpu time spent up to now is 298.8 secs Computing kpt #: 199 total cpu time spent up to now is 300.2 secs Computing kpt #: 200 total cpu time spent up to now is 301.4 secs Computing kpt #: 201 total cpu time spent up to now is 302.6 secs Computing kpt #: 202 total cpu time spent up to now is 304.0 secs Computing kpt #: 203 total cpu time spent up to now is 305.2 secs Computing kpt #: 204 total cpu time spent up to now is 306.4 secs Computing kpt #: 205 total cpu time spent up to now is 307.8 secs Computing kpt #: 206 total cpu time spent up to now is 309.2 secs Computing kpt #: 207 total cpu time spent up to now is 310.6 secs Computing kpt #: 208 total cpu time spent up to now is 312.1 secs Computing kpt #: 209 total cpu time spent up to now is 313.5 secs Computing kpt #: 210 total cpu time spent up to now is 314.9 secs Computing kpt #: 211 total cpu time spent up to now is 316.4 secs Computing kpt #: 212 total cpu time spent up to now is 317.9 secs Computing kpt #: 213 total cpu time spent up to now is 319.5 secs Computing kpt #: 214 total cpu time spent up to now is 321.0 secs Computing kpt #: 215 total cpu time spent up to now is 322.5 secs Computing kpt #: 216 total cpu time spent up to now is 324.0 secs Computing kpt #: 217 total cpu time spent up to now is 325.6 secs Computing kpt #: 218 total cpu time spent up to now is 327.1 secs Computing kpt #: 219 total cpu time spent up to now is 328.5 secs Computing kpt #: 220 total cpu time spent up to now is 330.0 secs Computing kpt #: 221 total cpu time spent up to now is 331.6 secs Computing kpt #: 222 total cpu time spent up to now is 333.2 secs Computing kpt #: 223 total cpu time spent up to now is 334.7 secs Computing kpt #: 224 total cpu time spent up to now is 336.3 secs Computing kpt #: 225 total cpu time spent up to now is 337.9 secs Computing kpt #: 226 total cpu time spent up to now is 339.5 secs Computing kpt #: 227 total cpu time spent up to now is 341.0 secs Computing kpt #: 228 total cpu time spent up to now is 342.5 secs Computing kpt #: 229 total cpu time spent up to now is 344.0 secs Computing kpt #: 230 total cpu time spent up to now is 345.4 secs Computing kpt #: 231 total cpu time spent up to now is 347.2 secs Computing kpt #: 232 total cpu time spent up to now is 348.3 secs Computing kpt #: 233 total cpu time spent up to now is 349.5 secs Computing kpt #: 234 total cpu time spent up to now is 350.7 secs Computing kpt #: 235 total cpu time spent up to now is 351.8 secs Computing kpt #: 236 total cpu time spent up to now is 353.0 secs Computing kpt #: 237 total cpu time spent up to now is 354.1 secs Computing kpt #: 238 total cpu time spent up to now is 355.3 secs Computing kpt #: 239 total cpu time spent up to now is 356.4 secs Computing kpt #: 240 total cpu time spent up to now is 357.6 secs Computing kpt #: 241 total cpu time spent up to now is 358.8 secs Computing kpt #: 242 total cpu time spent up to now is 360.0 secs Computing kpt #: 243 total cpu time spent up to now is 361.1 secs Computing kpt #: 244 total cpu time spent up to now is 362.4 secs Computing kpt #: 245 total cpu time spent up to now is 363.6 secs Computing kpt #: 246 total cpu time spent up to now is 364.8 secs Computing kpt #: 247 total cpu time spent up to now is 366.3 secs Computing kpt #: 248 total cpu time spent up to now is 367.8 secs Computing kpt #: 249 total cpu time spent up to now is 369.4 secs Computing kpt #: 250 total cpu time spent up to now is 371.0 secs Computing kpt #: 251 total cpu time spent up to now is 372.2 secs Computing kpt #: 252 total cpu time spent up to now is 373.6 secs Computing kpt #: 253 total cpu time spent up to now is 374.8 secs Computing kpt #: 254 total cpu time spent up to now is 376.2 secs Computing kpt #: 255 total cpu time spent up to now is 377.6 secs Computing kpt #: 256 total cpu time spent up to now is 379.0 secs Computing kpt #: 257 total cpu time spent up to now is 380.5 secs Computing kpt #: 258 total cpu time spent up to now is 381.9 secs Computing kpt #: 259 total cpu time spent up to now is 383.5 secs Computing kpt #: 260 total cpu time spent up to now is 384.9 secs Computing kpt #: 261 total cpu time spent up to now is 386.3 secs Computing kpt #: 262 total cpu time spent up to now is 387.8 secs Computing kpt #: 263 total cpu time spent up to now is 389.3 secs Computing kpt #: 264 total cpu time spent up to now is 390.8 secs Computing kpt #: 265 total cpu time spent up to now is 392.3 secs Computing kpt #: 266 total cpu time spent up to now is 393.9 secs Computing kpt #: 267 total cpu time spent up to now is 395.8 secs Computing kpt #: 268 total cpu time spent up to now is 397.4 secs Computing kpt #: 269 total cpu time spent up to now is 398.9 secs ethr = 2.78E-08, avg # of iterations = 27.7 total cpu time spent up to now is 398.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4475 -8.4475 -8.3688 -8.3688 -6.5895 -6.5895 -6.3458 -6.3458 -6.3260 -6.3260 -6.3073 -6.3073 -2.4356 -2.4356 -1.7441 -1.7441 3.2907 3.2907 4.8296 4.8296 5.1020 5.1020 5.5061 5.5061 6.1053 6.1053 6.1629 6.1629 6.8060 6.8060 7.6185 7.6185 7.6269 7.6269 8.0743 8.0743 k = 0.0132 0.0076-0.0000 ( 22265 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4475 -8.4475 -8.3689 -8.3689 -6.5895 -6.5895 -6.3462 -6.3462 -6.3261 -6.3261 -6.3075 -6.3075 -2.4345 -2.4345 -1.7445 -1.7445 3.2927 3.2927 4.8288 4.8288 5.1008 5.1008 5.5011 5.5011 6.0961 6.0961 6.1581 6.1581 6.8073 6.8073 7.6245 7.6245 7.6322 7.6322 8.0821 8.0821 k = 0.0263 0.0152-0.0000 ( 22265 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7496 -21.7496 -8.4476 -8.4476 -8.3692 -8.3692 -6.5893 -6.5893 -6.3472 -6.3472 -6.3262 -6.3262 -6.3082 -6.3082 -2.4314 -2.4314 -1.7458 -1.7458 3.2988 3.2988 4.8262 4.8262 5.0975 5.0975 5.4862 5.4862 6.0689 6.0689 6.1447 6.1447 6.8111 6.8111 7.6385 7.6385 7.6504 7.6504 8.1063 8.1063 k = 0.0395 0.0228-0.0000 ( 22257 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7636 -21.7636 -21.7495 -21.7495 -8.4478 -8.4478 -8.3697 -8.3697 -6.5890 -6.5890 -6.3489 -6.3489 -6.3265 -6.3265 -6.3093 -6.3093 -2.4262 -2.4262 -1.7480 -1.7480 3.3088 3.3088 4.8218 4.8218 5.0920 5.0920 5.4614 5.4614 6.0256 6.0256 6.1245 6.1245 6.8172 6.8172 7.6545 7.6545 7.6830 7.6830 8.1480 8.1480 k = 0.0526 0.0304-0.0000 ( 22258 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7635 -21.7635 -21.7494 -21.7494 -8.4480 -8.4480 -8.3705 -8.3705 -6.5886 -6.5886 -6.3513 -6.3513 -6.3268 -6.3268 -6.3109 -6.3109 -2.4190 -2.4190 -1.7510 -1.7510 3.3229 3.3229 4.8156 4.8156 5.0846 5.0846 5.4268 5.4268 5.9698 5.9698 6.0986 6.0986 6.8257 6.8257 7.6696 7.6696 7.7277 7.7277 8.2078 8.2078 k = 0.0658 0.0380-0.0000 ( 22266 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7633 -21.7633 -21.7493 -21.7493 -8.4483 -8.4483 -8.3714 -8.3714 -6.5881 -6.5881 -6.3545 -6.3545 -6.3272 -6.3272 -6.3129 -6.3129 -2.4098 -2.4098 -1.7547 -1.7547 3.3408 3.3408 4.8074 4.8074 5.0755 5.0755 5.3824 5.3824 5.9059 5.9059 6.0678 6.0678 6.8362 6.8362 7.6819 7.6819 7.7826 7.7826 8.2575 8.2575 k = 0.0789 0.0456-0.0000 ( 22274 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7632 -21.7632 -21.7491 -21.7491 -8.4487 -8.4487 -8.3726 -8.3726 -6.5875 -6.5875 -6.3584 -6.3584 -6.3275 -6.3275 -6.3153 -6.3153 -2.3987 -2.3987 -1.7593 -1.7593 3.3626 3.3626 4.7970 4.7970 5.0648 5.0648 5.3284 5.3284 5.8379 5.8379 6.0329 6.0329 6.8485 6.8485 7.6905 7.6905 7.8464 7.8464 8.2387 8.2387 k = 0.0921 0.0532-0.0000 ( 22264 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7630 -21.7630 -21.7489 -21.7489 -8.4491 -8.4491 -8.3739 -8.3739 -6.5868 -6.5868 -6.3629 -6.3629 -6.3279 -6.3279 -6.3181 -6.3181 -2.3858 -2.3858 -1.7646 -1.7646 3.3881 3.3881 4.7845 4.7845 5.0527 5.0527 5.2654 5.2654 5.7690 5.7690 5.9947 5.9947 6.8624 6.8624 7.6959 7.6959 7.9180 7.9180 8.2145 8.2145 k = 0.1053 0.0608-0.0000 ( 22274 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7627 -21.7627 -21.7487 -21.7487 -8.4496 -8.4496 -8.3755 -8.3755 -6.5860 -6.5860 -6.3681 -6.3681 -6.3282 -6.3282 -6.3212 -6.3212 -2.3712 -2.3712 -1.7705 -1.7705 3.4173 3.4173 4.7698 4.7698 5.0388 5.0388 5.1948 5.1948 5.7016 5.7016 5.9539 5.9539 6.8774 6.8774 7.6993 7.6993 7.9961 7.9961 8.1859 8.1859 k = 0.1184 0.0684-0.0000 ( 22262 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7625 -21.7625 -21.7485 -21.7485 -8.4502 -8.4502 -8.3772 -8.3772 -6.5851 -6.5851 -6.3739 -6.3739 -6.3285 -6.3285 -6.3247 -6.3247 -2.3549 -2.3549 -1.7770 -1.7770 3.4500 3.4500 4.7528 4.7528 5.0209 5.0209 5.1197 5.1197 5.6371 5.6371 5.9111 5.9111 6.8929 6.8929 7.7019 7.7019 8.0797 8.0797 8.1538 8.1538 k = 0.1316 0.0760-0.0000 ( 22248 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7622 -21.7622 -21.7482 -21.7482 -8.4508 -8.4508 -8.3791 -8.3791 -6.5842 -6.5842 -6.3803 -6.3803 -6.3291 -6.3291 -6.3281 -6.3281 -2.3371 -2.3371 -1.7841 -1.7841 3.4860 3.4860 4.7336 4.7336 4.9879 4.9879 5.0529 5.0529 5.5765 5.5765 5.8671 5.8671 6.9083 6.9083 7.7049 7.7049 8.1179 8.1179 8.1685 8.1685 k = 0.1447 0.0836-0.0000 ( 22264 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7619 -21.7619 -21.7479 -21.7479 -8.4515 -8.4515 -8.3811 -8.3811 -6.5831 -6.5831 -6.3871 -6.3871 -6.3326 -6.3326 -6.3289 -6.3289 -2.3180 -2.3180 -1.7916 -1.7916 3.5253 3.5253 4.7120 4.7120 4.9183 4.9183 5.0174 5.0174 5.5200 5.5200 5.8223 5.8223 6.9228 6.9228 7.7096 7.7096 8.0801 8.0801 8.2603 8.2604 k = 0.1579 0.0912-0.0000 ( 22272 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7615 -21.7615 -21.7476 -21.7476 -8.4522 -8.4522 -8.3833 -8.3833 -6.5821 -6.5821 -6.3943 -6.3943 -6.3368 -6.3368 -6.3292 -6.3292 -2.2977 -2.2977 -1.7995 -1.7995 3.5675 3.5675 4.6873 4.6873 4.8314 4.8314 4.9964 4.9964 5.4677 5.4677 5.7772 5.7772 6.9356 6.9356 7.7172 7.7172 8.0401 8.0401 8.3553 8.3553 k = 0.1711 0.0988-0.0000 ( 22276 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7612 -21.7612 -21.7473 -21.7473 -8.4530 -8.4530 -8.3856 -8.3856 -6.5809 -6.5809 -6.4019 -6.4019 -6.3413 -6.3413 -6.3294 -6.3294 -2.2763 -2.2763 -1.8076 -1.8076 3.6125 3.6125 4.6557 4.6557 4.7446 4.7446 4.9774 4.9774 5.4198 5.4198 5.7323 5.7323 6.9458 6.9458 7.7290 7.7290 7.9985 7.9985 8.4524 8.4524 k = 0.1842 0.1064-0.0000 ( 22290 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7608 -21.7608 -21.7469 -21.7469 -8.4538 -8.4538 -8.3880 -8.3880 -6.5798 -6.5798 -6.4098 -6.4098 -6.3458 -6.3458 -6.3296 -6.3296 -2.2542 -2.2542 -1.8158 -1.8158 3.6600 3.6600 4.6014 4.6014 4.6777 4.6777 4.9578 4.9578 5.3761 5.3761 5.6880 5.6880 6.9527 6.9527 7.7460 7.7460 7.9556 7.9556 8.5508 8.5508 k = 0.1974 0.1140-0.0000 ( 22278 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7605 -21.7605 -21.7466 -21.7466 -8.4547 -8.4547 -8.3905 -8.3905 -6.5786 -6.5786 -6.4178 -6.4178 -6.3505 -6.3505 -6.3298 -6.3298 -2.2316 -2.2316 -1.8239 -1.8239 3.7096 3.7096 4.5175 4.5175 4.6394 4.6394 4.9367 4.9367 5.3367 5.3367 5.6448 5.6448 6.9555 6.9555 7.7690 7.7690 7.9120 7.9120 8.6497 8.6497 k = 0.2105 0.1215-0.0000 ( 22280 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7601 -21.7601 -21.7462 -21.7462 -8.4556 -8.4556 -8.3931 -8.3931 -6.5775 -6.5775 -6.4261 -6.4261 -6.3552 -6.3552 -6.3300 -6.3300 -2.2086 -2.2086 -1.8317 -1.8317 3.7610 3.7610 4.4244 4.4244 4.6108 4.6108 4.9139 4.9139 5.3015 5.3015 5.6031 5.6031 6.9539 6.9539 7.7987 7.7987 7.8678 7.8678 8.7482 8.7482 k = 0.2237 0.1291-0.0000 ( 22288 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7597 -21.7597 -21.7459 -21.7459 -8.4566 -8.4566 -8.3957 -8.3957 -6.5763 -6.5763 -6.4344 -6.4344 -6.3600 -6.3600 -6.3302 -6.3302 -2.1857 -2.1857 -1.8390 -1.8390 3.8137 3.8137 4.3303 4.3303 4.5849 4.5849 4.8892 4.8892 5.2700 5.2700 5.5633 5.5633 6.9478 6.9478 7.8223 7.8223 7.8362 7.8362 8.8450 8.8450 k = 0.2368 0.1367-0.0000 ( 22302 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7593 -21.7593 -21.7455 -21.7455 -8.4575 -8.4575 -8.3984 -8.3984 -6.5752 -6.5752 -6.4427 -6.4427 -6.3647 -6.3647 -6.3304 -6.3304 -2.1633 -2.1633 -1.8454 -1.8454 3.8665 3.8665 4.2379 4.2379 4.5604 4.5604 4.8630 4.8630 5.2420 5.2420 5.5258 5.5258 6.9374 6.9374 7.7781 7.7781 7.8793 7.8793 8.9375 8.9375 k = 0.2500 0.1443-0.0000 ( 22298 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7589 -21.7589 -21.7451 -21.7451 -8.4585 -8.4585 -8.4011 -8.4011 -6.5742 -6.5742 -6.4510 -6.4510 -6.3694 -6.3694 -6.3306 -6.3306 -2.1418 -2.1418 -1.8506 -1.8506 3.9172 3.9172 4.1503 4.1503 4.5369 4.5369 4.8357 4.8357 5.2169 5.2169 5.4910 5.4910 6.9232 6.9232 7.7332 7.7332 7.9296 7.9296 9.0209 9.0209 k = 0.2632 0.1519-0.0000 ( 22306 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7585 -21.7585 -21.7447 -21.7447 -8.4595 -8.4595 -8.4038 -8.4038 -6.5732 -6.5732 -6.4592 -6.4592 -6.3739 -6.3739 -6.3307 -6.3307 -2.1217 -2.1217 -1.8542 -1.8542 3.9549 3.9549 4.0783 4.0783 4.5146 4.5146 4.8077 4.8077 5.1942 5.1942 5.4594 5.4594 6.9056 6.9056 7.6885 7.6885 7.9863 7.9863 9.0972 9.0972 k = 0.2763 0.1595-0.0000 ( 22294 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7581 -21.7581 -21.7443 -21.7443 -8.4606 -8.4606 -8.4065 -8.4065 -6.5724 -6.5724 -6.4672 -6.4672 -6.3783 -6.3783 -6.3309 -6.3309 -2.1038 -2.1038 -1.8556 -1.8556 3.9322 3.9322 4.0691 4.0691 4.4936 4.4936 4.7796 4.7796 5.1733 5.1733 5.4311 5.4311 6.8854 6.8854 7.6438 7.6438 8.0488 8.0488 9.1722 9.1722 k = 0.2895 0.1671-0.0000 ( 22292 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7577 -21.7577 -21.7440 -21.7440 -8.4616 -8.4616 -8.4092 -8.4092 -6.5716 -6.5716 -6.4749 -6.4749 -6.3826 -6.3826 -6.3310 -6.3310 -2.0885 -2.0885 -1.8543 -1.8543 3.8617 3.8617 4.1096 4.1096 4.4742 4.4742 4.7520 4.7520 5.1538 5.1538 5.4065 5.4065 6.8631 6.8631 7.5994 7.5994 8.1165 8.1165 9.2471 9.2471 k = 0.3026 0.1747-0.0000 ( 22306 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7573 -21.7573 -21.7436 -21.7436 -8.4626 -8.4626 -8.4118 -8.4118 -6.5710 -6.5710 -6.4824 -6.4824 -6.3866 -6.3866 -6.3311 -6.3311 -2.0764 -2.0764 -1.8499 -1.8499 3.7850 3.7850 4.1575 4.1575 4.4567 4.4567 4.7255 4.7255 5.1357 5.1357 5.3856 5.3856 6.8394 6.8394 7.5553 7.5553 8.1890 8.1890 9.3211 9.3211 k = 0.3158 0.1823-0.0000 ( 22322 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7569 -21.7569 -21.7432 -21.7432 -8.4636 -8.4636 -8.4144 -8.4144 -6.5705 -6.5705 -6.4896 -6.4896 -6.3904 -6.3904 -6.3313 -6.3313 -2.0678 -2.0678 -1.8424 -1.8424 3.7098 3.7098 4.2041 4.2041 4.4415 4.4415 4.7008 4.7008 5.1188 5.1188 5.3685 5.3685 6.8149 6.8149 7.5116 7.5116 8.2655 8.2655 9.3920 9.3920 k = 0.3289 0.1899-0.0000 ( 22314 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7566 -21.7566 -21.7429 -21.7429 -8.4646 -8.4646 -8.4169 -8.4169 -6.5702 -6.5702 -6.4964 -6.4964 -6.3940 -6.3940 -6.3314 -6.3314 -2.0624 -2.0624 -1.8319 -1.8319 3.6377 3.6377 4.2459 4.2459 4.4297 4.4297 4.6786 4.6786 5.1035 5.1035 5.3551 5.3551 6.7901 6.7901 7.4684 7.4684 8.3456 8.3456 9.4558 9.4558 k = 0.3421 0.1975-0.0000 ( 22316 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7562 -21.7562 -21.7426 -21.7426 -8.4655 -8.4655 -8.4192 -8.4192 -6.5700 -6.5700 -6.5027 -6.5027 -6.3973 -6.3973 -6.3315 -6.3315 -2.0599 -2.0599 -1.8191 -1.8191 3.5695 3.5695 4.2797 4.2797 4.4226 4.4226 4.6597 4.6597 5.0900 5.0900 5.3452 5.3452 6.7655 6.7655 7.4259 7.4259 8.4285 8.4285 9.5079 9.5079 k = 0.3553 0.2051-0.0000 ( 22310 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7559 -21.7559 -21.7423 -21.7423 -8.4664 -8.4664 -8.4215 -8.4215 -6.5701 -6.5701 -6.5086 -6.5086 -6.4003 -6.4003 -6.3316 -6.3316 -2.0596 -2.0596 -1.8046 -1.8046 3.5056 3.5056 4.3023 4.3023 4.4218 4.4218 4.6450 4.6450 5.0787 5.0787 5.3386 5.3386 6.7414 6.7414 7.3844 7.3844 8.5138 8.5138 9.5444 9.5444 k = 0.3684 0.2127-0.0000 ( 22312 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7556 -21.7556 -21.7420 -21.7420 -8.4673 -8.4673 -8.4236 -8.4236 -6.5703 -6.5703 -6.5139 -6.5139 -6.4030 -6.4030 -6.3316 -6.3316 -2.0609 -2.0609 -1.7892 -1.7892 3.4464 3.4464 4.3128 4.3128 4.4265 4.4265 4.6355 4.6355 5.0700 5.0700 5.3351 5.3351 6.7183 6.7183 7.3441 7.3441 8.6005 8.6005 9.5656 9.5656 k = 0.3816 0.2203-0.0000 ( 22318 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7553 -21.7553 -21.7417 -21.7417 -8.4681 -8.4681 -8.4256 -8.4256 -6.5706 -6.5706 -6.5187 -6.5187 -6.4054 -6.4054 -6.3317 -6.3317 -2.0633 -2.0633 -1.7737 -1.7737 3.3920 3.3920 4.3144 4.3144 4.4324 4.4324 4.6317 4.6317 5.0641 5.0641 5.3345 5.3345 6.6965 6.6965 7.3053 7.3053 8.6880 8.6880 9.5757 9.5757 k = 0.3947 0.2279-0.0000 ( 22336 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7551 -21.7551 -21.7415 -21.7415 -8.4688 -8.4688 -8.4274 -8.4274 -6.5712 -6.5712 -6.5229 -6.5229 -6.4076 -6.4076 -6.3318 -6.3318 -2.0663 -2.0663 -1.7585 -1.7585 3.3427 3.3427 4.3115 4.3115 4.4357 4.4357 4.6328 4.6328 5.0609 5.0609 5.3365 5.3365 6.6762 6.6762 7.2684 7.2684 8.7752 8.7752 9.5791 9.5791 k = 0.4079 0.2355-0.0000 ( 22330 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7548 -21.7548 -21.7412 -21.7412 -8.4695 -8.4695 -8.4290 -8.4290 -6.5718 -6.5718 -6.5265 -6.5265 -6.4094 -6.4094 -6.3318 -6.3318 -2.0696 -2.0696 -1.7441 -1.7441 3.2987 3.2987 4.3067 4.3067 4.4353 4.4353 4.6371 4.6371 5.0601 5.0601 5.3409 5.3409 6.6578 6.6578 7.2338 7.2338 8.8610 8.8610 9.5789 9.5789 k = 0.4211 0.2431-0.0000 ( 22338 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7546 -21.7546 -21.7411 -21.7411 -8.4701 -8.4701 -8.4304 -8.4304 -6.5725 -6.5725 -6.5296 -6.5296 -6.4110 -6.4110 -6.3319 -6.3319 -2.0728 -2.0728 -1.7310 -1.7310 3.2602 3.2602 4.3015 4.3015 4.4321 4.4321 4.6427 4.6427 5.0611 5.0611 5.3471 5.3471 6.6414 6.6414 7.2022 7.2022 8.9439 8.9439 9.5769 9.5769 k = 0.4342 0.2507-0.0000 ( 22346 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7544 -21.7544 -21.7409 -21.7409 -8.4706 -8.4706 -8.4316 -8.4316 -6.5733 -6.5733 -6.5321 -6.5321 -6.4123 -6.4123 -6.3319 -6.3319 -2.0758 -2.0758 -1.7195 -1.7195 3.2273 3.2273 4.2966 4.2966 4.4275 4.4275 4.6480 4.6480 5.0634 5.0634 5.3545 5.3545 6.6272 6.6272 7.1741 7.1741 9.0221 9.0221 9.5741 9.5741 k = 0.4474 0.2583-0.0000 ( 22346 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7543 -21.7543 -21.7407 -21.7407 -8.4710 -8.4710 -8.4326 -8.4326 -6.5740 -6.5740 -6.5342 -6.5342 -6.4133 -6.4133 -6.3319 -6.3319 -2.0785 -2.0785 -1.7097 -1.7097 3.2002 3.2002 4.2924 4.2924 4.4225 4.4225 4.6524 4.6524 5.0662 5.0662 5.3623 5.3623 6.6154 6.6154 7.1500 7.1500 9.0935 9.0935 9.5713 9.5713 k = 0.4605 0.2659-0.0000 ( 22328 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7542 -21.7542 -21.7406 -21.7406 -8.4714 -8.4714 -8.4334 -8.4334 -6.5746 -6.5746 -6.5357 -6.5357 -6.4141 -6.4141 -6.3319 -6.3319 -2.0807 -2.0807 -1.7018 -1.7018 3.1790 3.1790 4.2889 4.2889 4.4180 4.4180 4.6555 4.6555 5.0689 5.0689 5.3696 5.3696 6.6061 6.6061 7.1306 7.1306 9.1551 9.1551 9.5687 9.5687 k = 0.4737 0.2735-0.0000 ( 22334 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7541 -21.7541 -21.7406 -21.7406 -8.4716 -8.4716 -8.4340 -8.4340 -6.5751 -6.5751 -6.5367 -6.5367 -6.4147 -6.4147 -6.3320 -6.3320 -2.0823 -2.0823 -1.6962 -1.6962 3.1638 3.1638 4.2864 4.2864 4.4145 4.4145 4.6576 4.6576 5.0711 5.0711 5.3756 5.3756 6.5994 6.5994 7.1162 7.1162 9.2034 9.2034 9.5666 9.5666 k = 0.4868 0.2811-0.0000 ( 22354 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7541 -21.7541 -21.7405 -21.7405 -8.4718 -8.4718 -8.4343 -8.4343 -6.5754 -6.5754 -6.5374 -6.5374 -6.4151 -6.4151 -6.3320 -6.3320 -2.0833 -2.0833 -1.6927 -1.6927 3.1546 3.1546 4.2849 4.2849 4.4123 4.4123 4.6588 4.6588 5.0726 5.0726 5.3796 5.3796 6.5953 6.5953 7.1075 7.1075 9.2346 9.2346 9.5653 9.5653 k = 0.5000 0.2887-0.0000 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4718 -8.4718 -8.4344 -8.4344 -6.5755 -6.5755 -6.5376 -6.5376 -6.4152 -6.4152 -6.3320 -6.3320 -2.0836 -2.0836 -1.6916 -1.6916 3.1516 3.1516 4.2844 4.2844 4.4115 4.4115 4.6592 4.6592 5.0730 5.0730 5.3809 5.3809 6.5940 6.5940 7.1045 7.1045 9.2455 9.2455 9.5648 9.5648 k = 0.5000 0.2887-0.0000 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4718 -8.4718 -8.4344 -8.4344 -6.5755 -6.5755 -6.5376 -6.5376 -6.4152 -6.4152 -6.3320 -6.3320 -2.0836 -2.0836 -1.6916 -1.6916 3.1516 3.1516 4.2844 4.2844 4.4115 4.4115 4.6592 4.6592 5.0730 5.0730 5.3809 5.3809 6.5940 6.5940 7.1045 7.1045 9.2455 9.2455 9.5648 9.5648 k = 0.4924 0.3018-0.0000 ( 22344 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4718 -8.4718 -8.4345 -8.4345 -6.5754 -6.5754 -6.5376 -6.5376 -6.4153 -6.4153 -6.3321 -6.3321 -2.0829 -2.0829 -1.6921 -1.6921 3.1528 3.1528 4.2782 4.2782 4.4174 4.4174 4.6607 4.6607 5.0680 5.0680 5.3764 5.3764 6.6037 6.6037 7.1064 7.1064 9.2433 9.2433 9.5239 9.5239 k = 0.4848 0.3149-0.0000 ( 22328 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4719 -8.4719 -8.4345 -8.4345 -6.5750 -6.5750 -6.5376 -6.5376 -6.4159 -6.4159 -6.3326 -6.3326 -2.0808 -2.0808 -1.6936 -1.6936 3.1563 3.1563 4.2622 4.2622 4.4323 4.4323 4.6652 4.6652 5.0526 5.0526 5.3638 5.3638 6.6322 6.6322 7.1120 7.1120 9.2357 9.2357 9.4413 9.4413 k = 0.4773 0.3280-0.0000 ( 22324 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7404 -21.7404 -8.4719 -8.4719 -8.4347 -8.4347 -6.5744 -6.5744 -6.5376 -6.5376 -6.4167 -6.4167 -6.3334 -6.3334 -2.0773 -2.0773 -1.6961 -1.6961 3.1621 3.1621 4.2407 4.2407 4.4522 4.4522 4.6726 4.6726 5.0268 5.0268 5.3456 5.3456 6.6773 6.6773 7.1214 7.1214 9.2179 9.2179 9.3543 9.3543 k = 0.4697 0.3412-0.0000 ( 22331 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7404 -21.7404 -8.4719 -8.4719 -8.4349 -8.4349 -6.5736 -6.5736 -6.5377 -6.5377 -6.4179 -6.4179 -6.3345 -6.3345 -2.0724 -2.0724 -1.6995 -1.6995 3.1703 3.1703 4.2165 4.2165 4.4742 4.4742 4.6823 4.6823 4.9905 4.9905 5.3246 5.3246 6.7366 6.7366 7.1344 7.1344 9.1754 9.1754 9.2860 9.2860 k = 0.4621 0.3543-0.0000 ( 22327 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7539 -21.7539 -21.7404 -21.7404 -8.4720 -8.4720 -8.4351 -8.4351 -6.5726 -6.5726 -6.5377 -6.5377 -6.4193 -6.4193 -6.3358 -6.3358 -2.0662 -2.0662 -1.7039 -1.7039 3.1806 3.1806 4.1911 4.1911 4.4971 4.4971 4.6940 4.6940 4.9447 4.9447 5.3031 5.3031 6.8072 6.8072 7.1512 7.1512 9.0994 9.0994 9.2471 9.2471 k = 0.4545 0.3674-0.0000 ( 22337 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7539 -21.7539 -21.7403 -21.7403 -8.4721 -8.4721 -8.4354 -8.4354 -6.5714 -6.5714 -6.5378 -6.5378 -6.4211 -6.4211 -6.3374 -6.3374 -2.0588 -2.0588 -1.7092 -1.7092 3.1932 3.1932 4.1654 4.1654 4.5198 4.5198 4.7067 4.7067 4.8916 4.8916 5.2822 5.2822 6.8869 6.8869 7.1715 7.1715 9.0090 9.0090 9.2194 9.2194 k = 0.4470 0.3805-0.0000 ( 22353 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7538 -21.7538 -21.7403 -21.7403 -8.4722 -8.4722 -8.4358 -8.4358 -6.5700 -6.5700 -6.5379 -6.5379 -6.4231 -6.4231 -6.3392 -6.3392 -2.0503 -2.0503 -1.7153 -1.7153 3.2080 3.2080 4.1399 4.1399 4.5414 4.5414 4.7186 4.7186 4.8355 4.8355 5.2622 5.2622 6.9737 6.9737 7.1955 7.1955 8.9160 8.9160 9.1911 9.1911 k = 0.4394 0.3936-0.0000 ( 22355 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7537 -21.7537 -21.7402 -21.7402 -8.4723 -8.4723 -8.4361 -8.4361 -6.5685 -6.5685 -6.5380 -6.5380 -6.4253 -6.4253 -6.3411 -6.3411 -2.0406 -2.0406 -1.7222 -1.7222 3.2247 3.2247 4.1148 4.1148 4.5596 4.5596 4.7210 4.7210 4.7886 4.7886 5.2431 5.2431 7.0661 7.0661 7.2230 7.2230 8.8238 8.8238 9.1593 9.1593 k = 0.4318 0.4068-0.0000 ( 22363 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7536 -21.7536 -21.7401 -21.7401 -8.4724 -8.4724 -8.4365 -8.4365 -6.5668 -6.5668 -6.5382 -6.5382 -6.4278 -6.4278 -6.3431 -6.3431 -2.0301 -2.0301 -1.7299 -1.7299 3.2434 3.2434 4.0906 4.0906 4.5676 4.5676 4.6948 4.6948 4.7781 4.7781 5.2247 5.2247 7.1630 7.1630 7.2539 7.2539 8.7336 8.7336 9.1233 9.1233 k = 0.4242 0.4199-0.0000 ( 22341 PWs) bands (ev): -40.2126 -40.2126 -40.2125 -40.2125 -21.7536 -21.7536 -21.7400 -21.7400 -8.4725 -8.4725 -8.4370 -8.4370 -6.5650 -6.5650 -6.5384 -6.5384 -6.4303 -6.4303 -6.3452 -6.3452 -2.0186 -2.0186 -1.7381 -1.7381 3.2640 3.2640 4.0672 4.0672 4.5480 4.5480 4.6727 4.6727 4.7899 4.7899 5.2067 5.2067 7.2635 7.2635 7.2881 7.2881 8.6460 8.6460 9.0835 9.0835 k = 0.4167 0.4330-0.0000 ( 22339 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7535 -21.7535 -21.7400 -21.7400 -8.4726 -8.4726 -8.4374 -8.4374 -6.5632 -6.5632 -6.5386 -6.5386 -6.4330 -6.4330 -6.3474 -6.3474 -2.0065 -2.0065 -1.7470 -1.7470 3.2862 3.2862 4.0450 4.0450 4.4973 4.4973 4.6762 4.6762 4.8069 4.8069 5.1890 5.1890 7.3254 7.3254 7.3671 7.3671 8.5614 8.5614 9.0408 9.0408 k = 0.4091 0.4461-0.0000 ( 22333 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7534 -21.7534 -21.7399 -21.7399 -8.4727 -8.4727 -8.4379 -8.4379 -6.5613 -6.5613 -6.5388 -6.5388 -6.4357 -6.4357 -6.3495 -6.3495 -1.9938 -1.9938 -1.7563 -1.7563 3.3098 3.3098 4.0239 4.0239 4.4343 4.4343 4.6905 4.6905 4.8257 4.8257 5.1717 5.1717 7.3656 7.3656 7.4731 7.4731 8.4800 8.4800 8.9961 8.9961 k = 0.4015 0.4593-0.0000 ( 22329 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7533 -21.7533 -21.7398 -21.7398 -8.4729 -8.4729 -8.4384 -8.4384 -6.5595 -6.5595 -6.5391 -6.5391 -6.4384 -6.4384 -6.3515 -6.3515 -1.9808 -1.9808 -1.7660 -1.7660 3.3347 3.3347 4.0039 4.0039 4.3688 4.3688 4.7070 4.7070 4.8456 4.8456 5.1548 5.1548 7.4086 7.4086 7.5812 7.5812 8.4019 8.4019 8.9503 8.9503 k = 0.3939 0.4724-0.0000 ( 22327 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7532 -21.7532 -21.7397 -21.7397 -8.4730 -8.4730 -8.4388 -8.4388 -6.5577 -6.5577 -6.5393 -6.5393 -6.4410 -6.4410 -6.3534 -6.3534 -1.9674 -1.9674 -1.7760 -1.7760 3.3606 3.3606 3.9848 3.9848 4.3046 4.3046 4.7229 4.7229 4.8662 4.8662 5.1383 5.1383 7.4539 7.4539 7.6911 7.6911 8.3274 8.3274 8.9042 8.9042 k = 0.3864 0.4855-0.0000 ( 22319 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7531 -21.7531 -21.7396 -21.7396 -8.4732 -8.4732 -8.4393 -8.4393 -6.5561 -6.5561 -6.5396 -6.5396 -6.4436 -6.4436 -6.3551 -6.3551 -1.9541 -1.9541 -1.7861 -1.7861 3.3870 3.3870 3.9665 3.9665 4.2440 4.2440 4.7372 4.7372 4.8872 4.8872 5.1225 5.1225 7.5012 7.5012 7.8021 7.8021 8.2568 8.2568 8.8585 8.8585 k = 0.3788 0.4986-0.0000 ( 22321 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7531 -21.7531 -21.7396 -21.7396 -8.4733 -8.4733 -8.4397 -8.4397 -6.5547 -6.5547 -6.5397 -6.5397 -6.4459 -6.4459 -6.3567 -6.3567 -1.9409 -1.9409 -1.7962 -1.7962 3.4135 3.4135 3.9486 3.9486 4.1886 4.1886 4.7494 4.7494 4.9081 4.9081 5.1076 5.1076 7.5500 7.5500 7.9131 7.9131 8.1912 8.1912 8.8138 8.8138 k = 0.3712 0.5117-0.0000 ( 22325 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7530 -21.7530 -21.7395 -21.7395 -8.4734 -8.4734 -8.4401 -8.4401 -6.5536 -6.5536 -6.5398 -6.5398 -6.4481 -6.4481 -6.3580 -6.3580 -1.9282 -1.9282 -1.8062 -1.8062 3.4393 3.4393 3.9306 3.9306 4.1403 4.1403 4.7592 4.7592 4.9282 4.9282 5.0940 5.0940 7.5999 7.5999 8.0169 8.0169 8.1375 8.1375 8.7705 8.7705 k = 0.3636 0.5249-0.0000 ( 22337 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7529 -21.7529 -21.7395 -21.7395 -8.4735 -8.4735 -8.4404 -8.4404 -6.5527 -6.5527 -6.5397 -6.5397 -6.4499 -6.4499 -6.3592 -6.3592 -1.9162 -1.9162 -1.8157 -1.8157 3.4635 3.4635 3.9122 3.9122 4.1008 4.1008 4.7669 4.7669 4.9464 4.9464 5.0821 5.0821 7.6501 7.6501 8.0415 8.0415 8.1674 8.1674 8.7292 8.7292 k = 0.3561 0.5380-0.0000 ( 22341 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7529 -21.7529 -21.7394 -21.7394 -8.4736 -8.4736 -8.4407 -8.4407 -6.5521 -6.5521 -6.5396 -6.5396 -6.4514 -6.4514 -6.3600 -6.3600 -1.9053 -1.9053 -1.8245 -1.8245 3.4848 3.4848 3.8940 3.8940 4.0710 4.0710 4.7724 4.7724 4.9618 4.9618 5.0726 5.0726 7.7001 7.7001 7.9940 7.9940 8.2727 8.2727 8.6906 8.6906 k = 0.3485 0.5511-0.0000 ( 22323 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7529 -21.7529 -21.7394 -21.7394 -8.4737 -8.4737 -8.4409 -8.4409 -6.5518 -6.5518 -6.5394 -6.5394 -6.4525 -6.4525 -6.3607 -6.3607 -1.8964 -1.8964 -1.8319 -1.8319 3.5016 3.5016 3.8778 3.8778 4.0511 4.0511 4.7761 4.7761 4.9731 4.9731 5.0660 5.0660 7.7488 7.7488 7.9429 7.9429 8.3829 8.3829 8.6564 8.6564 k = 0.3409 0.5642-0.0000 ( 22327 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7394 -21.7394 -8.4737 -8.4737 -8.4411 -8.4411 -6.5517 -6.5517 -6.5393 -6.5393 -6.4532 -6.4532 -6.3610 -6.3610 -1.8904 -1.8904 -1.8369 -1.8369 3.5123 3.5123 3.8664 3.8664 4.0400 4.0400 4.7782 4.7782 4.9795 4.9795 5.0627 5.0627 7.7949 7.7949 7.8952 7.8952 8.4812 8.4812 8.6346 8.6346 k = 0.3333 0.5774-0.0000 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7393 -21.7393 -8.4737 -8.4737 -8.4411 -8.4411 -6.5516 -6.5516 -6.5393 -6.5393 -6.4534 -6.4534 -6.3611 -6.3611 -1.8882 -1.8882 -1.8387 -1.8387 3.5159 3.5159 3.8623 3.8623 4.0366 4.0366 4.7788 4.7788 4.9814 4.9814 5.0620 5.0620 7.8256 7.8256 7.8639 7.8639 8.5231 8.5231 8.6444 8.6444 k = 0.3333 0.5774-0.0000 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7393 -21.7393 -8.4737 -8.4737 -8.4411 -8.4411 -6.5516 -6.5516 -6.5393 -6.5393 -6.4534 -6.4534 -6.3611 -6.3611 -1.8882 -1.8882 -1.8387 -1.8387 3.5159 3.5159 3.8623 3.8623 4.0366 4.0366 4.7788 4.7788 4.9814 4.9814 5.0620 5.0620 7.8256 7.8256 7.8639 7.8639 8.5231 8.5231 8.6444 8.6444 k = 0.3256 0.5639-0.0000 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7394 -21.7394 -8.4737 -8.4737 -8.4411 -8.4411 -6.5516 -6.5516 -6.5393 -6.5393 -6.4531 -6.4531 -6.3610 -6.3610 -1.8901 -1.8901 -1.8372 -1.8372 3.5125 3.5125 3.8666 3.8666 4.0399 4.0399 4.7782 4.7782 4.9800 4.9800 5.0621 5.0621 7.7966 7.7966 7.8935 7.8935 8.4990 8.4990 8.6010 8.6010 k = 0.3178 0.5505-0.0000 ( 22319 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7529 -21.7529 -21.7394 -21.7394 -8.4737 -8.4737 -8.4409 -8.4409 -6.5516 -6.5516 -6.5395 -6.5395 -6.4524 -6.4524 -6.3607 -6.3607 -1.8947 -1.8947 -1.8338 -1.8338 3.5038 3.5038 3.8782 3.8782 4.0495 4.0495 4.7767 4.7767 4.9770 4.9770 5.0608 5.0608 7.7579 7.7579 7.9339 7.9339 8.4458 8.4458 8.5482 8.5482 k = 0.3101 0.5371-0.0000 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7529 -21.7529 -21.7394 -21.7394 -8.4736 -8.4736 -8.4406 -8.4406 -6.5516 -6.5516 -6.5397 -6.5397 -6.4513 -6.4513 -6.3601 -6.3601 -1.9005 -1.9005 -1.8302 -1.8302 3.4922 3.4922 3.8953 3.8953 4.0650 4.0650 4.7745 4.7745 4.9732 4.9732 5.0571 5.0571 7.7216 7.7216 7.9732 7.9732 8.3751 8.3751 8.5109 8.5109 k = 0.3023 0.5236-0.0000 ( 22325 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7530 -21.7530 -21.7395 -21.7395 -8.4734 -8.4734 -8.4402 -8.4402 -6.5515 -6.5515 -6.5400 -6.5400 -6.4497 -6.4497 -6.3593 -6.3593 -1.9065 -1.9065 -1.8273 -1.8273 3.4801 3.4801 3.9156 3.9156 4.0861 4.0861 4.7718 4.7718 4.9691 4.9691 5.0502 5.0502 7.6887 7.6887 8.0105 8.0105 8.2983 8.2983 8.4833 8.4833 k = 0.2946 0.5102-0.0000 ( 22307 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7531 -21.7531 -21.7396 -21.7396 -8.4732 -8.4732 -8.4396 -8.4396 -6.5515 -6.5515 -6.5401 -6.5401 -6.4478 -6.4478 -6.3584 -6.3584 -1.9123 -1.9123 -1.8256 -1.8256 3.4695 3.4695 3.9377 3.9377 4.1123 4.1123 4.7690 4.7690 4.9642 4.9642 5.0407 5.0407 7.6594 7.6594 8.0444 8.0444 8.2231 8.2231 8.4612 8.4612 k = 0.2868 0.4968-0.0000 ( 22297 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7532 -21.7532 -21.7397 -21.7397 -8.4729 -8.4729 -8.4389 -8.4389 -6.5516 -6.5516 -6.5400 -6.5400 -6.4456 -6.4456 -6.3573 -6.3573 -1.9176 -1.9176 -1.8254 -1.8254 3.4616 3.4616 3.9607 3.9607 4.1430 4.1430 4.7664 4.7664 4.9565 4.9565 5.0304 5.0304 7.6337 7.6337 8.0637 8.0637 8.1634 8.1634 8.4430 8.4430 k = 0.2791 0.4834-0.0000 ( 22305 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7533 -21.7533 -21.7398 -21.7398 -8.4726 -8.4726 -8.4380 -8.4380 -6.5518 -6.5518 -6.5394 -6.5394 -6.4430 -6.4430 -6.3560 -6.3560 -1.9222 -1.9222 -1.8270 -1.8270 3.4576 3.4576 3.9845 3.9845 4.1772 4.1772 4.7641 4.7641 4.9433 4.9433 5.0224 5.0224 7.6117 7.6117 8.0301 8.0301 8.1595 8.1595 8.4283 8.4283 k = 0.2713 0.4699-0.0000 ( 22305 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7535 -21.7535 -21.7400 -21.7400 -8.4722 -8.4722 -8.4370 -8.4370 -6.5523 -6.5523 -6.5382 -6.5382 -6.4402 -6.4402 -6.3547 -6.3547 -1.9261 -1.9261 -1.8305 -1.8305 3.4579 3.4579 4.0089 4.0089 4.2142 4.2142 4.7625 4.7625 4.9220 4.9220 5.0194 5.0194 7.5934 7.5934 7.9635 7.9635 8.1923 8.1923 8.4168 8.4168 k = 0.2636 0.4565-0.0000 ( 22325 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7537 -21.7537 -21.7401 -21.7401 -8.4717 -8.4717 -8.4358 -8.4358 -6.5531 -6.5531 -6.5365 -6.5365 -6.4372 -6.4372 -6.3533 -6.3533 -1.9291 -1.9291 -1.8359 -1.8359 3.4630 3.4630 4.0341 4.0341 4.2530 4.2530 4.7619 4.7619 4.8930 4.8930 5.0218 5.0218 7.5787 7.5787 7.8924 7.8924 8.2340 8.2340 8.4089 8.4089 k = 0.2558 0.4431-0.0000 ( 22337 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7539 -21.7539 -21.7403 -21.7403 -8.4712 -8.4712 -8.4345 -8.4345 -6.5540 -6.5540 -6.5341 -6.5341 -6.4339 -6.4339 -6.3518 -6.3518 -1.9313 -1.9313 -1.8432 -1.8432 3.4734 3.4734 4.0601 4.0601 4.2927 4.2927 4.7623 4.7623 4.8578 4.8578 5.0286 5.0286 7.5676 7.5676 7.8219 7.8219 8.2790 8.2790 8.4053 8.4053 k = 0.2481 0.4297-0.0000 ( 22323 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7541 -21.7541 -21.7406 -21.7406 -8.4706 -8.4706 -8.4330 -8.4330 -6.5551 -6.5551 -6.5312 -6.5312 -6.4305 -6.4305 -6.3503 -6.3503 -1.9327 -1.9327 -1.8524 -1.8524 3.4891 3.4891 4.0868 4.0868 4.3325 4.3325 4.7638 4.7638 4.8186 4.8186 5.0389 5.0389 7.5601 7.5601 7.7534 7.7534 8.3228 8.3228 8.4097 8.4097 k = 0.2403 0.4162-0.0000 ( 22327 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7544 -21.7544 -21.7408 -21.7408 -8.4700 -8.4700 -8.4313 -8.4313 -6.5563 -6.5563 -6.5277 -6.5277 -6.4269 -6.4269 -6.3488 -6.3488 -1.9332 -1.9332 -1.8634 -1.8634 3.5103 3.5103 4.1141 4.1141 4.3713 4.3713 4.7617 4.7617 4.7818 4.7818 5.0523 5.0523 7.5562 7.5562 7.6873 7.6873 8.3542 8.3542 8.4327 8.4327 k = 0.2326 0.4028-0.0000 ( 22331 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7546 -21.7546 -21.7411 -21.7411 -8.4693 -8.4693 -8.4295 -8.4295 -6.5575 -6.5575 -6.5238 -6.5238 -6.4231 -6.4231 -6.3473 -6.3473 -1.9332 -1.9332 -1.8760 -1.8760 3.5370 3.5370 4.1417 4.1417 4.4076 4.4076 4.7281 4.7281 4.7779 4.7779 5.0686 5.0686 7.5556 7.5556 7.6241 7.6241 8.3675 8.3675 8.4798 8.4798 k = 0.2248 0.3894-0.0000 ( 22321 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7549 -21.7549 -21.7413 -21.7413 -8.4685 -8.4685 -8.4276 -8.4276 -6.5588 -6.5588 -6.5193 -6.5193 -6.4192 -6.4192 -6.3458 -6.3458 -1.9331 -1.9331 -1.8896 -1.8896 3.5692 3.5692 4.1689 4.1689 4.4387 4.4387 4.6880 4.6880 4.7855 4.7855 5.0876 5.0876 7.5558 7.5558 7.5666 7.5666 8.3732 8.3732 8.5398 8.5398 k = 0.2171 0.3759-0.0000 ( 22337 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7552 -21.7552 -21.7416 -21.7416 -8.4677 -8.4677 -8.4255 -8.4255 -6.5601 -6.5601 -6.5143 -6.5143 -6.4151 -6.4151 -6.3444 -6.3444 -1.9344 -1.9344 -1.9025 -1.9025 3.6070 3.6070 4.1948 4.1948 4.4591 4.4591 4.6566 4.6566 4.7964 4.7964 5.1092 5.1092 7.5053 7.5053 7.5661 7.5661 8.3770 8.3770 8.6064 8.6064 k = 0.2093 0.3625-0.0000 ( 22325 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7556 -21.7556 -21.7420 -21.7420 -8.4668 -8.4668 -8.4232 -8.4232 -6.5615 -6.5615 -6.5089 -6.5089 -6.4108 -6.4108 -6.3430 -6.3430 -1.9414 -1.9414 -1.9104 -1.9104 3.6501 3.6501 4.2174 4.2174 4.4612 4.4612 4.6441 4.6441 4.8104 4.8104 5.1335 5.1335 7.4511 7.4511 7.5758 7.5758 8.3804 8.3804 8.6775 8.6775 k = 0.2016 0.3491-0.0000 ( 22313 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7559 -21.7559 -21.7423 -21.7423 -8.4659 -8.4659 -8.4209 -8.4209 -6.5628 -6.5628 -6.5030 -6.5030 -6.4065 -6.4065 -6.3416 -6.3416 -1.9564 -1.9564 -1.9110 -1.9110 3.6986 3.6986 4.2328 4.2328 4.4460 4.4460 4.6536 4.6536 4.8275 4.8275 5.1602 5.1602 7.3999 7.3999 7.5889 7.5889 8.3836 8.3836 8.7523 8.7523 k = 0.1938 0.3357-0.0000 ( 22329 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7563 -21.7563 -21.7426 -21.7426 -8.4650 -8.4650 -8.4184 -8.4184 -6.5642 -6.5642 -6.4968 -6.4968 -6.4020 -6.4020 -6.3403 -6.3403 -1.9758 -1.9758 -1.9078 -1.9078 3.7522 3.7522 4.2340 4.2340 4.4289 4.4289 4.6769 4.6769 4.8478 4.8478 5.1895 5.1895 7.3519 7.3519 7.6053 7.6053 8.3863 8.3863 8.8191 8.8191 k = 0.1860 0.3222-0.0000 ( 22323 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7430 -21.7430 -8.4640 -8.4640 -8.4159 -8.4159 -6.5656 -6.5656 -6.4901 -6.4901 -6.3973 -6.3973 -6.3390 -6.3390 -1.9974 -1.9974 -1.9027 -1.9027 3.8108 3.8108 4.2144 4.2144 4.4242 4.4242 4.7064 4.7064 4.8712 4.8712 5.2212 5.2212 7.3070 7.3070 7.6248 7.6248 8.3880 8.3880 8.7329 8.7329 k = 0.1783 0.3088-0.0000 ( 22315 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7571 -21.7571 -21.7434 -21.7434 -8.4630 -8.4630 -8.4132 -8.4132 -6.5669 -6.5669 -6.4831 -6.4831 -6.3926 -6.3926 -6.3379 -6.3379 -2.0204 -2.0204 -1.8966 -1.8966 3.8741 3.8741 4.1760 4.1760 4.4341 4.4341 4.7384 4.7384 4.8977 4.8977 5.2552 5.2552 7.2652 7.2652 7.6472 7.6472 8.3880 8.3880 8.6478 8.6478 k = 0.1705 0.2954-0.0000 ( 22319 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7575 -21.7575 -21.7438 -21.7438 -8.4620 -8.4620 -8.4105 -8.4105 -6.5683 -6.5683 -6.4758 -6.4758 -6.3877 -6.3877 -6.3368 -6.3368 -2.0445 -2.0445 -1.8896 -1.8896 3.9419 3.9419 4.1265 4.1265 4.4528 4.4528 4.7713 4.7713 4.9274 4.9274 5.2915 5.2915 7.2264 7.2264 7.6725 7.6725 8.3857 8.3857 8.5646 8.5646 k = 0.1628 0.2820-0.0000 ( 22311 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7579 -21.7579 -21.7441 -21.7441 -8.4609 -8.4609 -8.4078 -8.4078 -6.5697 -6.5697 -6.4681 -6.4681 -6.3827 -6.3827 -6.3358 -6.3358 -2.0693 -2.0693 -1.8819 -1.8819 4.0134 4.0134 4.0720 4.0720 4.4757 4.4757 4.8040 4.8040 4.9604 4.9604 5.3300 5.3300 7.1905 7.1905 7.7005 7.7005 8.3802 8.3802 8.4840 8.4840 k = 0.1550 0.2685-0.0000 ( 22331 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7583 -21.7583 -21.7445 -21.7445 -8.4599 -8.4599 -8.4050 -8.4050 -6.5711 -6.5711 -6.4603 -6.4603 -6.3777 -6.3777 -6.3348 -6.3348 -2.0946 -2.0946 -1.8738 -1.8738 4.0122 4.0122 4.0916 4.0916 4.5004 4.5004 4.8358 4.8358 4.9968 4.9968 5.3705 5.3705 7.1573 7.1573 7.7310 7.7310 8.3706 8.3706 8.4066 8.4066 k = 0.1473 0.2551-0.0000 ( 22311 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7587 -21.7587 -21.7449 -21.7449 -8.4589 -8.4589 -8.4022 -8.4022 -6.5725 -6.5725 -6.4523 -6.4523 -6.3726 -6.3726 -6.3340 -6.3340 -2.1203 -2.1203 -1.8652 -1.8652 3.9540 3.9540 4.1710 4.1710 4.5260 4.5260 4.8659 4.8659 5.0369 5.0369 5.4130 5.4130 7.1265 7.1265 7.7638 7.7638 8.3317 8.3317 8.3574 8.3574 k = 0.1395 0.2417-0.0000 ( 22307 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7591 -21.7591 -21.7453 -21.7453 -8.4579 -8.4579 -8.3994 -8.3994 -6.5739 -6.5739 -6.4441 -6.4441 -6.3675 -6.3675 -6.3332 -6.3332 -2.1460 -2.1460 -1.8563 -1.8563 3.8957 3.8957 4.2540 4.2540 4.5518 4.5518 4.8940 4.8940 5.0809 5.0809 5.4571 5.4571 7.0980 7.0980 7.7987 7.7987 8.2621 8.2621 8.3375 8.3375 k = 0.1318 0.2283-0.0000 ( 22311 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7595 -21.7595 -21.7457 -21.7457 -8.4569 -8.4569 -8.3967 -8.3967 -6.5753 -6.5753 -6.4359 -6.4359 -6.3624 -6.3624 -6.3325 -6.3325 -2.1716 -2.1716 -1.8472 -1.8472 3.8381 3.8381 4.3397 4.3397 4.5778 4.5778 4.9198 4.9198 5.1287 5.1287 5.5029 5.5029 7.0713 7.0713 7.8354 7.8354 8.1968 8.1968 8.3119 8.3119 k = 0.1240 0.2148-0.0000 ( 22305 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7600 -21.7600 -21.7461 -21.7461 -8.4559 -8.4559 -8.3939 -8.3939 -6.5766 -6.5766 -6.4276 -6.4276 -6.3573 -6.3573 -6.3318 -6.3318 -2.1970 -2.1970 -1.8380 -1.8380 3.7820 3.7820 4.4274 4.4274 4.6041 4.6041 4.9433 4.9433 5.1800 5.1800 5.5500 5.5500 7.0463 7.0463 7.8735 7.8735 8.1362 8.1362 8.2803 8.2803 k = 0.1163 0.2014-0.0000 ( 22299 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7603 -21.7603 -21.7465 -21.7465 -8.4550 -8.4550 -8.3913 -8.3913 -6.5779 -6.5779 -6.4194 -6.4194 -6.3523 -6.3523 -6.3312 -6.3312 -2.2219 -2.2219 -1.8288 -1.8288 3.7277 3.7277 4.5152 4.5152 4.6316 4.6316 4.9647 4.9647 5.2346 5.2346 5.5983 5.5983 7.0226 7.0226 7.9127 7.9127 8.0806 8.0806 8.2426 8.2426 k = 0.1085 0.1880-0.0000 ( 22289 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7607 -21.7607 -21.7468 -21.7468 -8.4541 -8.4541 -8.3887 -8.3887 -6.5792 -6.5792 -6.4113 -6.4113 -6.3474 -6.3474 -6.3307 -6.3307 -2.2461 -2.2461 -1.8197 -1.8197 3.6755 3.6755 4.5977 4.5977 4.6651 4.6651 4.9846 4.9846 5.2921 5.2921 5.6474 5.6474 7.0000 7.0000 7.9521 7.9521 8.0306 8.0306 8.1994 8.1994 k = 0.1008 0.1745-0.0000 ( 22281 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7611 -21.7611 -21.7472 -21.7472 -8.4532 -8.4532 -8.3862 -8.3862 -6.5805 -6.5805 -6.4034 -6.4034 -6.3426 -6.3426 -6.3302 -6.3302 -2.2695 -2.2695 -1.8108 -1.8108 3.6258 3.6258 4.6544 4.6544 4.7235 4.7235 5.0036 5.0036 5.3522 5.3522 5.6971 5.6971 6.9783 6.9783 7.9778 7.9778 7.9994 7.9994 8.1516 8.1516 k = 0.0930 0.1611-0.0000 ( 22273 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7615 -21.7615 -21.7475 -21.7475 -8.4524 -8.4524 -8.3838 -8.3838 -6.5817 -6.5817 -6.3957 -6.3957 -6.3380 -6.3380 -6.3298 -6.3298 -2.2919 -2.2919 -1.8021 -1.8021 3.5789 3.5789 4.6857 4.6857 4.8045 4.8045 5.0229 5.0229 5.4147 5.4147 5.7470 5.7470 6.9573 6.9573 7.9418 7.9418 8.0337 8.0337 8.1007 8.1007 k = 0.0853 0.1477-0.0000 ( 22273 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7618 -21.7618 -21.7478 -21.7478 -8.4516 -8.4516 -8.3816 -8.3816 -6.5828 -6.5828 -6.3884 -6.3884 -6.3336 -6.3336 -6.3293 -6.3293 -2.3132 -2.3132 -1.7937 -1.7937 3.5348 3.5348 4.7100 4.7100 4.8860 4.8860 5.0454 5.0454 5.4793 5.4793 5.7968 5.7968 6.9370 6.9370 7.9057 7.9057 8.0407 8.0407 8.0781 8.0781 k = 0.0775 0.1343-0.0000 ( 22267 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7621 -21.7621 -21.7481 -21.7481 -8.4509 -8.4509 -8.3795 -8.3795 -6.5839 -6.5839 -6.3814 -6.3814 -6.3296 -6.3296 -6.3287 -6.3287 -2.3331 -2.3331 -1.7858 -1.7858 3.4940 3.4940 4.7314 4.7314 4.9559 4.9559 5.0775 5.0775 5.5460 5.5460 5.8460 5.8460 6.9175 6.9175 7.8732 7.8732 7.9875 7.9875 8.1134 8.1134 k = 0.0698 0.1208-0.0000 ( 22257 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7624 -21.7624 -21.7484 -21.7484 -8.4503 -8.4503 -8.3775 -8.3775 -6.5849 -6.5849 -6.3749 -6.3749 -6.3287 -6.3287 -6.3254 -6.3254 -2.3516 -2.3516 -1.7784 -1.7784 3.4565 3.4565 4.7507 4.7507 5.0032 5.0032 5.1285 5.1285 5.6147 5.6147 5.8942 5.8942 6.8989 6.8989 7.8437 7.8437 7.9320 7.9320 8.1488 8.1488 k = 0.0620 0.1074-0.0000 ( 22269 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7627 -21.7627 -21.7487 -21.7487 -8.4497 -8.4497 -8.3758 -8.3758 -6.5859 -6.5859 -6.3690 -6.3690 -6.3283 -6.3283 -6.3218 -6.3218 -2.3686 -2.3686 -1.7716 -1.7716 3.4225 3.4225 4.7678 4.7678 5.0306 5.0306 5.1936 5.1936 5.6851 5.6851 5.9406 5.9406 6.8814 6.8814 7.8164 7.8164 7.8776 7.8776 8.1816 8.1816 k = 0.0543 0.0940-0.0000 ( 22267 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7629 -21.7629 -21.7489 -21.7489 -8.4492 -8.4492 -8.3742 -8.3742 -6.5867 -6.5867 -6.3636 -6.3636 -6.3279 -6.3279 -6.3185 -6.3185 -2.3838 -2.3838 -1.7654 -1.7654 3.3921 3.3921 4.7829 4.7829 5.0487 5.0487 5.2607 5.2607 5.7569 5.7569 5.9848 5.9848 6.8651 6.8651 7.7900 7.7900 7.8256 7.8256 8.2110 8.2110 k = 0.0465 0.0806-0.0000 ( 22275 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7631 -21.7631 -21.7491 -21.7491 -8.4487 -8.4487 -8.3727 -8.3727 -6.5874 -6.5874 -6.3589 -6.3589 -6.3276 -6.3276 -6.3156 -6.3156 -2.3972 -2.3972 -1.7599 -1.7599 3.3655 3.3655 4.7958 4.7958 5.0626 5.0626 5.3231 5.3231 5.8288 5.8288 6.0259 6.0259 6.8504 6.8504 7.7631 7.7631 7.7775 7.7775 8.2362 8.2362 k = 0.0388 0.0671-0.0000 ( 22267 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7633 -21.7633 -21.7493 -21.7493 -8.4484 -8.4484 -8.3715 -8.3715 -6.5881 -6.5881 -6.3549 -6.3549 -6.3272 -6.3272 -6.3131 -6.3131 -2.4088 -2.4088 -1.7552 -1.7552 3.3429 3.3429 4.8065 4.8065 5.0742 5.0742 5.3780 5.3780 5.8991 5.8991 6.0631 6.0631 6.8374 6.8374 7.7315 7.7315 7.7375 7.7375 8.2561 8.2561 k = 0.0310 0.0537-0.0000 ( 22255 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7635 -21.7635 -21.7494 -21.7494 -8.4480 -8.4480 -8.3705 -8.3705 -6.5886 -6.5886 -6.3516 -6.3516 -6.3269 -6.3269 -6.3110 -6.3110 -2.4183 -2.4183 -1.7512 -1.7512 3.3242 3.3242 4.8150 4.8150 5.0838 5.0838 5.4237 5.4237 5.9650 5.9650 6.0957 6.0957 6.8265 6.8265 7.6950 7.6950 7.7066 7.7066 8.2147 8.2147 k = 0.0233 0.0403-0.0000 ( 22257 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7636 -21.7636 -21.7495 -21.7495 -8.4478 -8.4478 -8.3698 -8.3698 -6.5890 -6.5890 -6.3490 -6.3490 -6.3265 -6.3265 -6.3094 -6.3094 -2.4258 -2.4258 -1.7481 -1.7481 3.3096 3.3096 4.8215 4.8215 5.0916 5.0916 5.4596 5.4596 6.0226 6.0226 6.1229 6.1229 6.8177 6.8177 7.6644 7.6644 7.6763 7.6763 8.1514 8.1514 k = 0.0155 0.0269-0.0000 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7496 -21.7496 -8.4476 -8.4476 -8.3692 -8.3692 -6.5893 -6.5893 -6.3472 -6.3472 -6.3263 -6.3263 -6.3082 -6.3082 -2.4312 -2.4312 -1.7459 -1.7459 3.2991 3.2991 4.8261 4.8261 5.0973 5.0973 5.4854 5.4854 6.0675 6.0675 6.1440 6.1440 6.8113 6.8113 7.6410 7.6410 7.6496 7.6496 8.1077 8.1077 k = 0.0078 0.0134-0.0000 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4475 -8.4475 -8.3689 -8.3689 -6.5895 -6.5895 -6.3462 -6.3462 -6.3261 -6.3261 -6.3075 -6.3075 -2.4345 -2.4345 -1.7446 -1.7446 3.2928 3.2928 4.8287 4.8287 5.1008 5.1008 5.5009 5.5009 6.0957 6.0957 6.1579 6.1579 6.8074 6.8074 7.6248 7.6248 7.6324 7.6324 8.0824 8.0824 k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4475 -8.4475 -8.3688 -8.3688 -6.5895 -6.5895 -6.3458 -6.3458 -6.3260 -6.3260 -6.3073 -6.3073 -2.4356 -2.4356 -1.7441 -1.7441 3.2907 3.2907 4.8296 4.8296 5.1020 5.1020 5.5061 5.5061 6.1053 6.1053 6.1629 6.1629 6.8060 6.8060 7.6185 7.6185 7.6269 7.6269 8.0743 8.0743 k = 0.0000 0.0000 0.0000 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4475 -8.4475 -8.3688 -8.3688 -6.5895 -6.5895 -6.3458 -6.3458 -6.3260 -6.3260 -6.3073 -6.3073 -2.4356 -2.4356 -1.7441 -1.7441 3.2907 3.2907 4.8296 4.8296 5.1020 5.1020 5.5061 5.5061 6.1053 6.1053 6.1629 6.1629 6.8060 6.8060 7.6185 7.6185 7.6269 7.6269 8.0743 8.0743 k = 0.0000 0.0000 0.0151 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7637 -21.7637 -21.7497 -21.7497 -8.4473 -8.4473 -8.3689 -8.3689 -6.5891 -6.5891 -6.3458 -6.3458 -6.3266 -6.3266 -6.3073 -6.3073 -2.4343 -2.4343 -1.7455 -1.7455 3.2939 3.2939 4.8309 4.8309 5.1033 5.1033 5.5010 5.5010 6.1020 6.1020 6.1458 6.1458 6.8230 6.8230 7.6204 7.6204 7.6288 7.6288 8.0809 8.0809 k = 0.0000 0.0000 0.0302 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7636 -21.7636 -21.7498 -21.7498 -8.4468 -8.4468 -8.3693 -8.3693 -6.5878 -6.5878 -6.3455 -6.3455 -6.3284 -6.3284 -6.3075 -6.3075 -2.4305 -2.4305 -1.7498 -1.7498 3.3034 3.3034 4.8346 4.8346 5.1071 5.1071 5.4858 5.4858 6.0921 6.0921 6.0998 6.0998 6.8689 6.8689 7.6260 7.6260 7.6347 7.6347 8.1006 8.1006 k = 0.0000 0.0000 0.0453 ( 22285 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7635 -21.7635 -21.7499 -21.7499 -8.4460 -8.4460 -8.3700 -8.3700 -6.5858 -6.5858 -6.3452 -6.3452 -6.3313 -6.3313 -6.3079 -6.3079 -2.4242 -2.4242 -1.7568 -1.7568 3.3192 3.3192 4.8407 4.8407 5.1136 5.1136 5.4601 5.4601 6.0357 6.0357 6.0760 6.0760 6.9336 6.9336 7.6353 7.6353 7.6444 7.6444 8.1331 8.1331 k = 0.0000 0.0000 0.0604 ( 22273 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7633 -21.7633 -21.7501 -21.7501 -8.4448 -8.4448 -8.3709 -8.3709 -6.5828 -6.5828 -6.3447 -6.3447 -6.3354 -6.3354 -6.3084 -6.3084 -2.4155 -2.4155 -1.7666 -1.7666 3.3412 3.3412 4.8492 4.8492 5.1226 5.1226 5.4235 5.4235 5.9630 5.9630 6.0541 6.0541 7.0086 7.0086 7.6484 7.6484 7.6580 7.6580 8.1781 8.1781 k = 0.0000 0.0000 0.0755 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7631 -21.7631 -21.7503 -21.7503 -8.4434 -8.4434 -8.3721 -8.3721 -6.5791 -6.5791 -6.3440 -6.3440 -6.3406 -6.3406 -6.3091 -6.3091 -2.4044 -2.4044 -1.7789 -1.7789 3.3693 3.3693 4.8602 4.8602 5.1341 5.1341 5.3755 5.3755 5.8883 5.8883 6.0272 6.0272 7.0884 7.0884 7.6652 7.6652 7.6755 7.6755 8.2347 8.2347 k = 0.0000 0.0000 0.0906 ( 22279 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7628 -21.7628 -21.7506 -21.7506 -8.4417 -8.4417 -8.3735 -8.3735 -6.5746 -6.5746 -6.3467 -6.3467 -6.3433 -6.3433 -6.3099 -6.3099 -2.3910 -2.3910 -1.7938 -1.7938 3.4033 3.4033 4.8736 4.8736 5.1481 5.1481 5.3161 5.3161 5.8156 5.8156 5.9958 5.9958 7.1701 7.1701 7.6857 7.6857 7.6968 7.6968 8.3018 8.3018 k = 0.0000 0.0000 0.1057 ( 22267 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7625 -21.7625 -21.7510 -21.7510 -8.4396 -8.4396 -8.3752 -8.3752 -6.5693 -6.5693 -6.3539 -6.3539 -6.3424 -6.3424 -6.3108 -6.3108 -2.3754 -2.3754 -1.8110 -1.8110 3.4433 3.4433 4.8893 4.8893 5.1647 5.1647 5.2459 5.2459 5.7471 5.7471 5.9607 5.9607 7.2522 7.2522 7.7099 7.7099 7.7219 7.7219 8.3773 8.3773 k = 0.0000 0.0000 0.1208 ( 22255 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7621 -21.7621 -21.7513 -21.7513 -8.4374 -8.4374 -8.3771 -8.3771 -6.5632 -6.5632 -6.3619 -6.3619 -6.3414 -6.3414 -6.3118 -6.3118 -2.3577 -2.3577 -1.8304 -1.8304 3.4888 3.4888 4.9074 4.9074 5.1662 5.1662 5.1836 5.1836 5.6835 5.6835 5.9225 5.9225 7.3341 7.3341 7.7378 7.7378 7.7508 7.7508 8.4575 8.4575 k = 0.0000 0.0000 0.1358 ( 22255 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7617 -21.7617 -21.7518 -21.7518 -8.4349 -8.4349 -8.3792 -8.3792 -6.5564 -6.5564 -6.3707 -6.3707 -6.3402 -6.3402 -6.3130 -6.3130 -2.3381 -2.3381 -1.8518 -1.8518 3.5399 3.5399 4.9278 4.9278 5.0789 5.0789 5.2050 5.2050 5.6245 5.6245 5.8820 5.8820 7.4158 7.4158 7.7692 7.7692 7.7835 7.7835 8.5324 8.5324 k = 0.0000 0.0000 0.1509 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7612 -21.7612 -21.7522 -21.7522 -8.4321 -8.4321 -8.3815 -8.3815 -6.5489 -6.5489 -6.3802 -6.3802 -6.3390 -6.3390 -6.3142 -6.3142 -2.3166 -2.3166 -1.8749 -1.8749 3.5962 3.5962 4.9504 4.9504 4.9861 4.9861 5.2287 5.2287 5.5694 5.5694 5.8398 5.8398 7.4975 7.4975 7.8043 7.8043 7.8199 7.8199 8.5783 8.5783 k = 0.0000 0.0000 0.1660 ( 22249 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7608 -21.7608 -21.7527 -21.7527 -8.4292 -8.4292 -8.3841 -8.3841 -6.5407 -6.5407 -6.3903 -6.3903 -6.3377 -6.3377 -6.3155 -6.3155 -2.2935 -2.2935 -1.8997 -1.8997 3.6576 3.6576 4.8895 4.8895 4.9752 4.9752 5.2547 5.2547 5.5173 5.5173 5.7964 5.7964 7.5793 7.5793 7.8429 7.8429 7.8600 7.8600 8.5838 8.5838 k = 0.0000 0.0000 0.1811 ( 22261 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7602 -21.7602 -21.7532 -21.7532 -8.4262 -8.4262 -8.3868 -8.3868 -6.5320 -6.5320 -6.4009 -6.4009 -6.3363 -6.3363 -6.3170 -6.3170 -2.2689 -2.2689 -1.9259 -1.9259 3.7239 3.7239 4.7909 4.7909 5.0021 5.0021 5.2830 5.2830 5.4675 5.4675 5.7523 5.7523 7.6617 7.6617 7.8849 7.8849 7.9036 7.9036 8.5587 8.5587 k = 0.0000 0.0000 0.1962 ( 22237 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7597 -21.7597 -21.7538 -21.7538 -8.4230 -8.4230 -8.3897 -8.3897 -6.5226 -6.5226 -6.4118 -6.4118 -6.3348 -6.3348 -6.3185 -6.3185 -2.2429 -2.2429 -1.9533 -1.9533 3.7947 3.7947 4.6913 4.6913 5.0312 5.0312 5.3133 5.3133 5.4198 5.4198 5.7079 5.7079 7.7449 7.7449 7.9303 7.9303 7.9508 7.9508 8.5140 8.5140 k = 0.0000 0.0000 0.2113 ( 22219 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7591 -21.7591 -21.7543 -21.7543 -8.4197 -8.4197 -8.3927 -8.3927 -6.5127 -6.5127 -6.4231 -6.4231 -6.3332 -6.3332 -6.3200 -6.3200 -2.2159 -2.2159 -1.9816 -1.9816 3.8698 3.8698 4.5918 4.5918 5.0622 5.0622 5.3458 5.3458 5.3737 5.3737 5.6636 5.6636 7.8287 7.8287 7.9789 7.9789 8.0014 8.0014 8.4582 8.4582 k = 0.0000 0.0000 0.2264 ( 22249 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7585 -21.7585 -21.7549 -21.7549 -8.4163 -8.4163 -8.3959 -8.3959 -6.5024 -6.5024 -6.4346 -6.4346 -6.3316 -6.3316 -6.3216 -6.3216 -2.1878 -2.1878 -2.0106 -2.0106 3.9491 3.9491 4.4932 4.4932 5.0951 5.0951 5.3292 5.3292 5.3801 5.3801 5.6198 5.6198 7.9133 7.9133 8.0305 8.0305 8.0553 8.0553 8.3970 8.3970 k = 0.0000 0.0000 0.2415 ( 22207 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7579 -21.7579 -21.7555 -21.7555 -8.4129 -8.4129 -8.3992 -8.3992 -6.4917 -6.4917 -6.4462 -6.4462 -6.3300 -6.3300 -6.3233 -6.3233 -2.1590 -2.1590 -2.0401 -2.0401 4.0321 4.0321 4.3961 4.3961 5.1300 5.1300 5.2862 5.2862 5.4163 5.4163 5.5767 5.5767 7.9981 7.9981 8.0845 8.0845 8.1123 8.1123 8.3342 8.3342 k = 0.0000 0.0000 0.2566 ( 22213 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7573 -21.7573 -21.7561 -21.7561 -8.4094 -8.4094 -8.4025 -8.4025 -6.4806 -6.4806 -6.4578 -6.4578 -6.3283 -6.3283 -6.3250 -6.3250 -2.1296 -2.1296 -2.0699 -2.0699 4.1187 4.1187 4.3011 4.3011 5.1666 5.1666 5.2448 5.2448 5.4543 5.4543 5.5346 5.5346 8.0821 8.0821 8.1388 8.1388 8.1722 8.1722 8.2636 8.2636 k = 0.0000 0.0000 0.2717 ( 22244 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4060 -8.4060 -8.4060 -8.4060 -6.4693 -6.4693 -6.4693 -6.4693 -6.3266 -6.3266 -6.3266 -6.3266 -2.0998 -2.0998 -2.0998 -2.0998 4.2084 4.2084 4.2084 4.2084 5.2048 5.2048 5.2048 5.2048 5.4938 5.4938 5.4938 5.4938 8.1561 8.1561 8.1561 8.1561 8.2219 8.2219 8.2219 8.2219 k = 0.0000 0.0000 0.2717 ( 22244 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4060 -8.4060 -8.4060 -8.4060 -6.4693 -6.4693 -6.4693 -6.4693 -6.3266 -6.3266 -6.3266 -6.3266 -2.0998 -2.0998 -2.0998 -2.0998 4.2084 4.2084 4.2084 4.2084 5.2048 5.2048 5.2048 5.2048 5.4938 5.4938 5.4938 5.4938 8.1561 8.1561 8.1561 8.1561 8.2219 8.2219 8.2219 8.2220 k = 0.0132 0.0076 0.2717 ( 22208 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4060 -8.4060 -8.4060 -8.4060 -6.4693 -6.4693 -6.4693 -6.4693 -6.3269 -6.3269 -6.3269 -6.3269 -2.0994 -2.0994 -2.0994 -2.0994 4.2082 4.2082 4.2082 4.2082 5.2032 5.2032 5.2032 5.2032 5.4918 5.4918 5.4918 5.4918 8.1553 8.1553 8.1553 8.1553 8.2218 8.2218 8.2218 8.2218 k = 0.0263 0.0152 0.2717 ( 22204 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4062 -8.4062 -8.4062 -8.4062 -6.4693 -6.4693 -6.4693 -6.4693 -6.3277 -6.3277 -6.3277 -6.3277 -2.0982 -2.0982 -2.0982 -2.0982 4.2073 4.2073 4.2073 4.2073 5.1984 5.1984 5.1984 5.1984 5.4862 5.4862 5.4862 5.4862 8.1506 8.1506 8.1506 8.1506 8.2226 8.2226 8.2226 8.2226 k = 0.0395 0.0228 0.2717 ( 22210 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7566 -21.7566 -21.7566 -21.7566 -8.4066 -8.4066 -8.4066 -8.4066 -6.4693 -6.4693 -6.4693 -6.4693 -6.3290 -6.3290 -6.3290 -6.3290 -2.0962 -2.0962 -2.0962 -2.0962 4.2058 4.2058 4.2058 4.2058 5.1904 5.1904 5.1904 5.1904 5.4771 5.4771 5.4771 5.4771 8.1375 8.1375 8.1375 8.1375 8.2264 8.2264 8.2264 8.2264 k = 0.0526 0.0304 0.2717 ( 22206 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7565 -21.7565 -21.7565 -21.7565 -8.4071 -8.4071 -8.4071 -8.4071 -6.4694 -6.4694 -6.4694 -6.4694 -6.3308 -6.3308 -6.3308 -6.3308 -2.0935 -2.0935 -2.0935 -2.0935 4.2035 4.2035 4.2035 4.2035 5.1795 5.1795 5.1795 5.1795 5.4649 5.4649 5.4649 5.4649 8.1143 8.1143 8.1143 8.1143 8.2339 8.2339 8.2339 8.2339 k = 0.0658 0.0380 0.2717 ( 22220 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7563 -21.7563 -21.7563 -21.7563 -8.4077 -8.4077 -8.4077 -8.4077 -6.4695 -6.4695 -6.4695 -6.4695 -6.3331 -6.3331 -6.3331 -6.3331 -2.0900 -2.0900 -2.0900 -2.0900 4.2003 4.2003 4.2003 4.2003 5.1659 5.1659 5.1659 5.1659 5.4501 5.4501 5.4501 5.4501 8.0824 8.0824 8.0824 8.0824 8.2444 8.2444 8.2444 8.2444 k = 0.0789 0.0456 0.2717 ( 22218 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7562 -21.7562 -21.7562 -21.7562 -8.4085 -8.4085 -8.4085 -8.4085 -6.4696 -6.4696 -6.4696 -6.4696 -6.3359 -6.3359 -6.3359 -6.3359 -2.0858 -2.0858 -2.0858 -2.0858 4.1960 4.1960 4.1960 4.1960 5.1500 5.1500 5.1500 5.1500 5.4333 5.4333 5.4333 5.4333 8.0433 8.0433 8.0433 8.0433 8.2575 8.2575 8.2575 8.2575 k = 0.0921 0.0532 0.2717 ( 22240 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7560 -21.7560 -21.7560 -21.7560 -8.4094 -8.4094 -8.4094 -8.4094 -6.4698 -6.4698 -6.4698 -6.4698 -6.3390 -6.3390 -6.3390 -6.3390 -2.0809 -2.0809 -2.0809 -2.0809 4.1904 4.1904 4.1904 4.1904 5.1320 5.1320 5.1320 5.1320 5.4148 5.4148 5.4148 5.4148 7.9985 7.9985 7.9985 7.9985 8.2734 8.2734 8.2734 8.2734 k = 0.1053 0.0608 0.2717 ( 22252 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7557 -21.7557 -21.7557 -21.7557 -8.4104 -8.4104 -8.4104 -8.4104 -6.4700 -6.4700 -6.4700 -6.4700 -6.3425 -6.3425 -6.3425 -6.3425 -2.0754 -2.0754 -2.0754 -2.0754 4.1832 4.1832 4.1832 4.1832 5.1127 5.1127 5.1127 5.1127 5.3953 5.3953 5.3953 5.3953 7.9491 7.9491 7.9491 7.9491 8.2923 8.2923 8.2923 8.2923 k = 0.1184 0.0684 0.2717 ( 22252 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7555 -21.7555 -21.7555 -21.7555 -8.4116 -8.4116 -8.4116 -8.4116 -6.4703 -6.4703 -6.4703 -6.4703 -6.3464 -6.3464 -6.3464 -6.3464 -2.0693 -2.0693 -2.0693 -2.0693 4.1743 4.1743 4.1743 4.1743 5.0924 5.0924 5.0924 5.0924 5.3751 5.3751 5.3751 5.3751 7.8960 7.8960 7.8960 7.8960 8.3143 8.3143 8.3143 8.3143 k = 0.1316 0.0760 0.2717 ( 22264 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7552 -21.7552 -21.7552 -21.7552 -8.4128 -8.4128 -8.4128 -8.4128 -6.4707 -6.4707 -6.4707 -6.4707 -6.3505 -6.3505 -6.3505 -6.3505 -2.0626 -2.0626 -2.0626 -2.0626 4.1633 4.1633 4.1633 4.1633 5.0717 5.0717 5.0717 5.0717 5.3547 5.3547 5.3547 5.3547 7.8402 7.8402 7.8402 7.8402 8.3396 8.3396 8.3396 8.3396 k = 0.1447 0.0836 0.2717 ( 22280 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7549 -21.7549 -21.7549 -21.7549 -8.4142 -8.4142 -8.4142 -8.4142 -6.4712 -6.4712 -6.4712 -6.4712 -6.3548 -6.3548 -6.3548 -6.3548 -2.0555 -2.0555 -2.0555 -2.0555 4.1500 4.1500 4.1500 4.1500 5.0512 5.0512 5.0512 5.0512 5.3342 5.3342 5.3342 5.3342 7.7826 7.7826 7.7826 7.7826 8.3682 8.3682 8.3682 8.3682 k = 0.1579 0.0912 0.2717 ( 22256 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7546 -21.7546 -21.7546 -21.7546 -8.4157 -8.4157 -8.4157 -8.4157 -6.4719 -6.4719 -6.4719 -6.4719 -6.3592 -6.3592 -6.3592 -6.3592 -2.0479 -2.0479 -2.0479 -2.0479 4.1345 4.1345 4.1345 4.1345 5.0313 5.0313 5.0313 5.0313 5.3140 5.3140 5.3140 5.3140 7.7240 7.7240 7.7240 7.7240 8.4002 8.4002 8.4002 8.4002 k = 0.1711 0.0988 0.2717 ( 22272 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7543 -21.7543 -21.7543 -21.7543 -8.4172 -8.4172 -8.4172 -8.4172 -6.4727 -6.4727 -6.4727 -6.4727 -6.3638 -6.3638 -6.3638 -6.3638 -2.0400 -2.0400 -2.0400 -2.0400 4.1166 4.1166 4.1166 4.1166 5.0123 5.0123 5.0123 5.0123 5.2943 5.2943 5.2943 5.2943 7.6650 7.6650 7.6650 7.6650 8.4357 8.4357 8.4357 8.4357 k = 0.1842 0.1064 0.2717 ( 22280 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7539 -21.7539 -21.7539 -21.7539 -8.4188 -8.4188 -8.4188 -8.4188 -6.4737 -6.4737 -6.4737 -6.4737 -6.3683 -6.3683 -6.3683 -6.3683 -2.0319 -2.0319 -2.0319 -2.0319 4.0963 4.0963 4.0963 4.0963 4.9945 4.9945 4.9945 4.9945 5.2753 5.2753 5.2753 5.2753 7.6065 7.6065 7.6065 7.6065 8.4743 8.4743 8.4743 8.4743 k = 0.1974 0.1140 0.2717 ( 22280 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7535 -21.7535 -21.7535 -21.7535 -8.4205 -8.4205 -8.4205 -8.4205 -6.4749 -6.4749 -6.4749 -6.4749 -6.3728 -6.3728 -6.3728 -6.3728 -2.0234 -2.0234 -2.0234 -2.0234 4.0739 4.0739 4.0739 4.0739 4.9777 4.9777 4.9777 4.9777 5.2574 5.2574 5.2574 5.2574 7.5489 7.5489 7.5489 7.5489 8.5153 8.5153 8.5153 8.5153 k = 0.2105 0.1215 0.2717 ( 22276 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7532 -21.7532 -21.7532 -21.7532 -8.4223 -8.4223 -8.4223 -8.4223 -6.4764 -6.4764 -6.4764 -6.4764 -6.3771 -6.3771 -6.3771 -6.3771 -2.0148 -2.0148 -2.0148 -2.0148 4.0494 4.0494 4.0494 4.0494 4.9621 4.9621 4.9621 4.9621 5.2407 5.2407 5.2407 5.2407 7.4930 7.4930 7.4930 7.4930 8.5545 8.5545 8.5545 8.5545 k = 0.2237 0.1291 0.2717 ( 22284 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7528 -21.7528 -21.7528 -21.7528 -8.4241 -8.4241 -8.4241 -8.4241 -6.4781 -6.4781 -6.4781 -6.4781 -6.3812 -6.3812 -6.3812 -6.3812 -2.0061 -2.0061 -2.0061 -2.0061 4.0233 4.0233 4.0233 4.0233 4.9473 4.9473 4.9473 4.9473 5.2253 5.2253 5.2253 5.2253 7.4391 7.4391 7.4391 7.4391 8.5733 8.5733 8.5733 8.5733 k = 0.2368 0.1367 0.2717 ( 22286 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7524 -21.7524 -21.7524 -21.7524 -8.4259 -8.4259 -8.4259 -8.4259 -6.4801 -6.4801 -6.4801 -6.4801 -6.3851 -6.3851 -6.3851 -6.3851 -1.9974 -1.9974 -1.9974 -1.9974 3.9958 3.9958 3.9958 3.9958 4.9332 4.9332 4.9332 4.9332 5.2115 5.2115 5.2115 5.2115 7.3878 7.3878 7.3878 7.3878 8.5720 8.5720 8.5720 8.5720 k = 0.2500 0.1443 0.2717 ( 22284 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7520 -21.7520 -21.7520 -21.7520 -8.4278 -8.4278 -8.4278 -8.4278 -6.4824 -6.4824 -6.4824 -6.4824 -6.3886 -6.3886 -6.3886 -6.3886 -1.9887 -1.9887 -1.9887 -1.9887 3.9673 3.9673 3.9673 3.9673 4.9196 4.9196 4.9196 4.9196 5.1994 5.1994 5.1994 5.1994 7.3394 7.3394 7.3394 7.3394 8.5667 8.5667 8.5667 8.5667 k = 0.2632 0.1519 0.2717 ( 22304 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7516 -21.7516 -21.7516 -21.7516 -8.4297 -8.4297 -8.4297 -8.4297 -6.4851 -6.4851 -6.4851 -6.4851 -6.3918 -6.3918 -6.3918 -6.3918 -1.9801 -1.9801 -1.9801 -1.9801 3.9382 3.9382 3.9382 3.9382 4.9061 4.9061 4.9061 4.9061 5.1888 5.1888 5.1888 5.1888 7.2941 7.2941 7.2941 7.2941 8.5610 8.5610 8.5610 8.5610 k = 0.2763 0.1595 0.2717 ( 22310 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7512 -21.7512 -21.7512 -21.7512 -8.4316 -8.4316 -8.4316 -8.4316 -6.4880 -6.4880 -6.4880 -6.4880 -6.3946 -6.3946 -6.3946 -6.3946 -1.9716 -1.9716 -1.9716 -1.9716 3.9089 3.9089 3.9089 3.9089 4.8927 4.8927 4.8927 4.8927 5.1799 5.1799 5.1799 5.1799 7.2523 7.2523 7.2523 7.2523 8.5558 8.5558 8.5558 8.5558 k = 0.2895 0.1671 0.2717 ( 22304 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7508 -21.7508 -21.7508 -21.7508 -8.4334 -8.4334 -8.4334 -8.4334 -6.4911 -6.4911 -6.4911 -6.4911 -6.3970 -6.3970 -6.3970 -6.3970 -1.9633 -1.9633 -1.9633 -1.9633 3.8797 3.8797 3.8797 3.8797 4.8793 4.8793 4.8793 4.8793 5.1725 5.1725 5.1725 5.1725 7.2141 7.2141 7.2141 7.2141 8.5514 8.5514 8.5514 8.5514 k = 0.3026 0.1747 0.2717 ( 22306 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7505 -21.7505 -21.7505 -21.7505 -8.4352 -8.4352 -8.4352 -8.4352 -6.4944 -6.4944 -6.4944 -6.4944 -6.3991 -6.3991 -6.3991 -6.3991 -1.9553 -1.9553 -1.9553 -1.9553 3.8509 3.8509 3.8509 3.8509 4.8658 4.8658 4.8658 4.8658 5.1664 5.1664 5.1664 5.1664 7.1795 7.1795 7.1795 7.1795 8.5479 8.5479 8.5479 8.5479 k = 0.3158 0.1823 0.2717 ( 22290 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7501 -21.7501 -21.7501 -21.7501 -8.4370 -8.4370 -8.4370 -8.4370 -6.4979 -6.4979 -6.4979 -6.4979 -6.4008 -6.4008 -6.4008 -6.4008 -1.9475 -1.9475 -1.9475 -1.9475 3.8229 3.8229 3.8229 3.8229 4.8524 4.8524 4.8524 4.8524 5.1613 5.1613 5.1613 5.1613 7.1487 7.1487 7.1487 7.1487 8.5453 8.5453 8.5453 8.5453 k = 0.3289 0.1899 0.2717 ( 22290 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7498 -21.7498 -21.7498 -21.7498 -8.4388 -8.4388 -8.4388 -8.4388 -6.5014 -6.5014 -6.5014 -6.5014 -6.4022 -6.4022 -6.4022 -6.4022 -1.9401 -1.9401 -1.9401 -1.9401 3.7959 3.7959 3.7959 3.7959 4.8392 4.8392 4.8392 4.8392 5.1571 5.1571 5.1571 5.1571 7.1215 7.1215 7.1215 7.1215 8.5436 8.5436 8.5436 8.5436 k = 0.3421 0.1975 0.2717 ( 22282 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7494 -21.7494 -21.7494 -21.7494 -8.4404 -8.4404 -8.4404 -8.4404 -6.5050 -6.5050 -6.5050 -6.5050 -6.4033 -6.4033 -6.4033 -6.4033 -1.9331 -1.9331 -1.9331 -1.9331 3.7701 3.7701 3.7701 3.7701 4.8263 4.8263 4.8263 4.8263 5.1535 5.1535 5.1535 5.1535 7.0978 7.0978 7.0978 7.0978 8.5426 8.5426 8.5426 8.5426 k = 0.3553 0.2051 0.2717 ( 22298 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7491 -21.7491 -21.7491 -21.7491 -8.4420 -8.4420 -8.4420 -8.4420 -6.5085 -6.5085 -6.5085 -6.5085 -6.4042 -6.4042 -6.4042 -6.4042 -1.9265 -1.9265 -1.9265 -1.9265 3.7457 3.7457 3.7457 3.7457 4.8138 4.8138 4.8138 4.8138 5.1504 5.1504 5.1504 5.1504 7.0776 7.0776 7.0776 7.0776 8.5421 8.5421 8.5421 8.5421 k = 0.3684 0.2127 0.2717 ( 22294 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7488 -21.7488 -21.7488 -21.7488 -8.4435 -8.4435 -8.4435 -8.4435 -6.5119 -6.5119 -6.5119 -6.5119 -6.4050 -6.4050 -6.4050 -6.4050 -1.9204 -1.9204 -1.9204 -1.9204 3.7230 3.7230 3.7230 3.7230 4.8019 4.8019 4.8019 4.8019 5.1477 5.1477 5.1477 5.1477 7.0606 7.0606 7.0606 7.0606 8.5422 8.5422 8.5422 8.5422 k = 0.3816 0.2203 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7485 -21.7485 -21.7485 -21.7485 -8.4449 -8.4449 -8.4449 -8.4449 -6.5151 -6.5151 -6.5151 -6.5151 -6.4055 -6.4055 -6.4055 -6.4055 -1.9147 -1.9147 -1.9147 -1.9147 3.7021 3.7021 3.7021 3.7021 4.7908 4.7908 4.7908 4.7908 5.1452 5.1452 5.1452 5.1452 7.0465 7.0465 7.0465 7.0465 8.5426 8.5426 8.5426 8.5426 k = 0.3947 0.2279 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7483 -21.7483 -21.7483 -21.7483 -8.4461 -8.4461 -8.4461 -8.4461 -6.5182 -6.5182 -6.5182 -6.5182 -6.4059 -6.4059 -6.4059 -6.4059 -1.9096 -1.9096 -1.9096 -1.9096 3.6830 3.6830 3.6830 3.6830 4.7804 4.7804 4.7804 4.7804 5.1428 5.1428 5.1428 5.1428 7.0351 7.0351 7.0351 7.0351 8.5432 8.5432 8.5432 8.5432 k = 0.4079 0.2355 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7480 -21.7480 -21.7480 -21.7480 -8.4473 -8.4473 -8.4473 -8.4473 -6.5209 -6.5209 -6.5209 -6.5209 -6.4062 -6.4062 -6.4062 -6.4062 -1.9050 -1.9050 -1.9050 -1.9050 3.6660 3.6660 3.6660 3.6660 4.7711 4.7711 4.7711 4.7711 5.1407 5.1407 5.1407 5.1407 7.0259 7.0259 7.0259 7.0259 8.5439 8.5439 8.5439 8.5439 k = 0.4211 0.2431 0.2717 ( 22312 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7478 -21.7478 -21.7478 -21.7478 -8.4483 -8.4483 -8.4483 -8.4483 -6.5234 -6.5234 -6.5234 -6.5234 -6.4064 -6.4064 -6.4064 -6.4064 -1.9010 -1.9010 -1.9010 -1.9010 3.6511 3.6511 3.6511 3.6511 4.7628 4.7628 4.7628 4.7628 5.1387 5.1387 5.1387 5.1387 7.0189 7.0189 7.0189 7.0189 8.5446 8.5446 8.5446 8.5446 k = 0.4342 0.2507 0.2717 ( 22308 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7477 -21.7477 -21.7477 -21.7477 -8.4492 -8.4492 -8.4492 -8.4492 -6.5256 -6.5256 -6.5256 -6.5256 -6.4065 -6.4065 -6.4065 -6.4065 -1.8976 -1.8976 -1.8976 -1.8976 3.6384 3.6384 3.6384 3.6384 4.7556 4.7556 4.7556 4.7556 5.1369 5.1369 5.1369 5.1369 7.0135 7.0135 7.0135 7.0135 8.5454 8.5454 8.5454 8.5454 k = 0.4474 0.2583 0.2717 ( 22312 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7475 -21.7475 -21.7475 -21.7475 -8.4499 -8.4499 -8.4499 -8.4499 -6.5273 -6.5273 -6.5273 -6.5273 -6.4066 -6.4066 -6.4066 -6.4066 -1.8948 -1.8948 -1.8948 -1.8948 3.6279 3.6279 3.6279 3.6279 4.7497 4.7497 4.7497 4.7497 5.1353 5.1353 5.1353 5.1353 7.0095 7.0095 7.0095 7.0095 8.5460 8.5460 8.5460 8.5460 k = 0.4605 0.2659 0.2717 ( 22312 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7474 -21.7474 -21.7474 -21.7474 -8.4505 -8.4505 -8.4505 -8.4505 -6.5288 -6.5288 -6.5288 -6.5288 -6.4067 -6.4067 -6.4067 -6.4067 -1.8926 -1.8926 -1.8926 -1.8926 3.6196 3.6196 3.6196 3.6196 4.7450 4.7450 4.7450 4.7450 5.1341 5.1341 5.1341 5.1341 7.0067 7.0067 7.0067 7.0067 8.5465 8.5465 8.5465 8.5465 k = 0.4737 0.2735 0.2717 ( 22334 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4509 -8.4509 -8.4509 -8.4509 -6.5298 -6.5298 -6.5298 -6.5298 -6.4067 -6.4067 -6.4067 -6.4067 -1.8910 -1.8910 -1.8910 -1.8910 3.6138 3.6138 3.6138 3.6138 4.7416 4.7416 4.7416 4.7416 5.1331 5.1331 5.1331 5.1331 7.0049 7.0049 7.0049 7.0049 8.5469 8.5469 8.5469 8.5469 k = 0.4868 0.2811 0.2717 ( 22332 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4511 -8.4511 -8.4511 -8.4511 -6.5304 -6.5304 -6.5304 -6.5304 -6.4067 -6.4067 -6.4067 -6.4067 -1.8901 -1.8901 -1.8901 -1.8901 3.6102 3.6102 3.6102 3.6102 4.7396 4.7396 4.7396 4.7396 5.1326 5.1326 5.1326 5.1326 7.0039 7.0039 7.0039 7.0039 8.5471 8.5471 8.5471 8.5471 k = 0.5000 0.2887 0.2717 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4512 -8.4512 -8.4512 -8.4512 -6.5306 -6.5306 -6.5306 -6.5306 -6.4067 -6.4067 -6.4067 -6.4067 -1.8897 -1.8897 -1.8897 -1.8897 3.6090 3.6090 3.6090 3.6090 4.7389 4.7389 4.7389 4.7389 5.1324 5.1324 5.1324 5.1324 7.0035 7.0035 7.0035 7.0035 8.5472 8.5472 8.5472 8.5472 k = 0.5000 0.2887 0.2717 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4512 -8.4512 -8.4512 -8.4512 -6.5306 -6.5306 -6.5306 -6.5306 -6.4067 -6.4067 -6.4067 -6.4067 -1.8897 -1.8897 -1.8897 -1.8897 3.6090 3.6090 3.6090 3.6090 4.7389 4.7389 4.7389 4.7389 5.1324 5.1324 5.1324 5.1324 7.0035 7.0035 7.0035 7.0035 8.5472 8.5472 8.5472 8.5472 k = 0.4924 0.3018 0.2717 ( 22328 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4516 -8.4516 -8.4509 -8.4509 -6.5313 -6.5313 -6.5297 -6.5297 -6.4072 -6.4072 -6.4067 -6.4067 -1.8915 -1.8915 -1.8877 -1.8877 3.6092 3.6092 3.6109 3.6109 4.7354 4.7354 4.7367 4.7367 5.1259 5.1259 5.1377 5.1377 7.0039 7.0039 7.0074 7.0074 8.5489 8.5489 8.5540 8.5540 k = 0.4848 0.3149 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4520 -8.4520 -8.4506 -8.4506 -6.5318 -6.5318 -6.5287 -6.5287 -6.4080 -6.4080 -6.4071 -6.4071 -1.8930 -1.8930 -1.8853 -1.8853 3.6114 3.6114 3.6148 3.6148 4.7265 4.7265 4.7287 4.7287 5.1185 5.1185 5.1416 5.1416 7.0084 7.0084 7.0153 7.0153 8.5590 8.5590 8.5691 8.5691 k = 0.4773 0.3280 0.2717 ( 22298 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7472 -21.7472 -21.7472 -21.7472 -8.4524 -8.4524 -8.4503 -8.4503 -6.5321 -6.5321 -6.5274 -6.5274 -6.4092 -6.4092 -6.4079 -6.4079 -1.8942 -1.8942 -1.8827 -1.8827 3.6157 3.6157 3.6206 3.6206 4.7125 4.7125 4.7148 4.7148 5.1106 5.1106 5.1440 5.1440 7.0168 7.0168 7.0271 7.0271 8.5775 8.5775 8.5925 8.5925 k = 0.4697 0.3412 0.2717 ( 22312 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7472 -21.7472 -21.7472 -21.7472 -8.4529 -8.4529 -8.4501 -8.4501 -6.5322 -6.5322 -6.5259 -6.5259 -6.4108 -6.4108 -6.4091 -6.4091 -1.8951 -1.8951 -1.8799 -1.8799 3.6221 3.6221 3.6284 3.6284 4.6939 4.6939 4.6954 4.6954 5.1023 5.1023 5.1449 5.1449 7.0289 7.0289 7.0423 7.0423 8.6040 8.6040 8.6237 8.6237 k = 0.4621 0.3543 0.2717 ( 22304 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7472 -21.7472 -21.7471 -21.7471 -8.4534 -8.4534 -8.4499 -8.4499 -6.5321 -6.5321 -6.5242 -6.5242 -6.4127 -6.4127 -6.4107 -6.4107 -1.8957 -1.8957 -1.8769 -1.8769 3.6305 3.6305 3.6379 3.6379 4.6706 4.6706 4.6713 4.6713 5.0940 5.0940 5.1441 5.1441 7.0440 7.0440 7.0606 7.0606 8.6381 8.6381 8.6624 8.6624 k = 0.4545 0.3674 0.2717 ( 22312 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7471 -21.7471 -21.7471 -21.7471 -8.4539 -8.4539 -8.4498 -8.4498 -6.5318 -6.5318 -6.5223 -6.5223 -6.4149 -6.4149 -6.4127 -6.4127 -1.8960 -1.8960 -1.8737 -1.8737 3.6408 3.6408 3.6492 3.6492 4.6413 4.6413 4.6450 4.6450 5.0856 5.0856 5.1419 5.1419 7.0617 7.0617 7.0812 7.0812 8.6793 8.6793 8.7079 8.7079 k = 0.4470 0.3805 0.2717 ( 22316 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7470 -21.7470 -21.7470 -21.7470 -8.4545 -8.4545 -8.4497 -8.4497 -6.5314 -6.5314 -6.5203 -6.5203 -6.4174 -6.4174 -6.4150 -6.4150 -1.8961 -1.8961 -1.8704 -1.8704 3.6530 3.6530 3.6620 3.6620 4.6079 4.6079 4.6158 4.6158 5.0773 5.0773 5.1385 5.1385 7.0815 7.0815 7.1037 7.1037 8.7269 8.7269 8.7595 8.7595 k = 0.4394 0.3936 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7470 -21.7470 -21.7470 -21.7470 -8.4550 -8.4550 -8.4496 -8.4496 -6.5309 -6.5309 -6.5181 -6.5181 -6.4200 -6.4200 -6.4177 -6.4177 -1.8960 -1.8960 -1.8670 -1.8670 3.6671 3.6671 3.6763 3.6763 4.5712 4.5712 4.5842 4.5842 5.0692 5.0692 5.1339 5.1339 7.1027 7.1027 7.1276 7.1276 8.7799 8.7799 8.8162 8.8162 k = 0.4318 0.4068 0.2717 ( 22278 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7469 -21.7469 -21.7469 -21.7469 -8.4556 -8.4556 -8.4496 -8.4496 -6.5303 -6.5303 -6.5157 -6.5157 -6.4229 -6.4229 -6.4207 -6.4207 -1.8956 -1.8956 -1.8635 -1.8635 3.6830 3.6830 3.6919 3.6919 4.5318 4.5318 4.5508 4.5508 5.0611 5.0611 5.1284 5.1284 7.1248 7.1248 7.1522 7.1522 8.8371 8.8371 8.8767 8.8767 k = 0.4242 0.4199 0.2717 ( 22286 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7468 -21.7468 -21.7468 -21.7468 -8.4561 -8.4561 -8.4496 -8.4496 -6.5295 -6.5295 -6.5132 -6.5132 -6.4258 -6.4258 -6.4239 -6.4239 -1.8950 -1.8950 -1.8600 -1.8600 3.7005 3.7005 3.7086 3.7086 4.4906 4.4906 4.5163 4.5163 5.0531 5.0531 5.1222 5.1222 7.1473 7.1473 7.1771 7.1771 8.8972 8.8972 8.9396 8.9396 k = 0.4167 0.4330 0.2717 ( 22282 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7467 -21.7467 -21.7467 -21.7467 -8.4567 -8.4567 -8.4496 -8.4496 -6.5287 -6.5287 -6.5105 -6.5105 -6.4289 -6.4289 -6.4273 -6.4273 -1.8943 -1.8943 -1.8566 -1.8566 3.7196 3.7196 3.7261 3.7261 4.4482 4.4482 4.4811 4.4811 5.0452 5.0452 5.1155 5.1155 7.1696 7.1696 7.2018 7.2018 8.9585 8.9585 9.0028 9.0028 k = 0.4091 0.4461 0.2717 ( 22292 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7467 -21.7467 -21.7466 -21.7466 -8.4572 -8.4572 -8.4497 -8.4497 -6.5279 -6.5279 -6.5077 -6.5077 -6.4319 -6.4319 -6.4310 -6.4310 -1.8935 -1.8935 -1.8532 -1.8532 3.7402 3.7402 3.7443 3.7443 4.4050 4.4050 4.4460 4.4460 5.0375 5.0375 5.1084 5.1084 7.1913 7.1913 7.2259 7.2259 9.0190 9.0190 9.0644 9.0644 k = 0.4015 0.4593 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7466 -21.7466 -21.7466 -21.7466 -8.4577 -8.4577 -8.4498 -8.4498 -6.5271 -6.5271 -6.5049 -6.5049 -6.4348 -6.4348 -6.4348 -6.4348 -1.8925 -1.8925 -1.8500 -1.8500 3.7620 3.7620 3.7627 3.7627 4.3618 4.3618 4.4116 4.4116 5.0301 5.0301 5.1011 5.1011 7.2121 7.2121 7.2488 7.2488 9.0769 9.0769 9.1219 9.1219 k = 0.3939 0.4724 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7465 -21.7465 -21.7465 -21.7465 -8.4582 -8.4582 -8.4499 -8.4499 -6.5262 -6.5262 -6.5019 -6.5019 -6.4386 -6.4386 -6.4377 -6.4377 -1.8916 -1.8916 -1.8469 -1.8469 3.7812 3.7812 3.7850 3.7850 4.3189 4.3189 4.3783 4.3783 5.0229 5.0229 5.0939 5.0939 7.2315 7.2315 7.2702 7.2702 9.1307 9.1307 9.1736 9.1736 k = 0.3864 0.4855 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7464 -21.7464 -21.7464 -21.7464 -8.4587 -8.4587 -8.4500 -8.4500 -6.5254 -6.5254 -6.4990 -6.4990 -6.4425 -6.4425 -6.4403 -6.4403 -1.8906 -1.8906 -1.8441 -1.8441 3.7992 3.7992 3.8091 3.8091 4.2768 4.2768 4.3469 4.3469 5.0162 5.0162 5.0868 5.0868 7.2491 7.2491 7.2897 7.2897 9.1792 9.1792 9.2183 9.2183 k = 0.3788 0.4986 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7463 -21.7463 -21.7463 -21.7463 -8.4592 -8.4592 -8.4501 -8.4501 -6.5247 -6.5247 -6.4960 -6.4960 -6.4463 -6.4463 -6.4427 -6.4427 -1.8896 -1.8896 -1.8415 -1.8415 3.8163 3.8163 3.8339 3.8339 4.2360 4.2360 4.3178 4.3178 5.0100 5.0100 5.0802 5.0802 7.2648 7.2648 7.3070 7.3070 9.2227 9.2227 9.2561 9.2561 k = 0.3712 0.5117 0.2717 ( 22328 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7463 -21.7463 -21.7463 -21.7463 -8.4595 -8.4595 -8.4503 -8.4503 -6.5241 -6.5241 -6.4930 -6.4930 -6.4501 -6.4501 -6.4448 -6.4448 -1.8887 -1.8887 -1.8392 -1.8392 3.8321 3.8321 3.8593 3.8593 4.1968 4.1968 4.2919 4.2919 5.0044 5.0044 5.0740 5.0740 7.2782 7.2782 7.3219 7.3219 9.2621 9.2621 9.2884 9.2884 k = 0.3636 0.5249 0.2717 ( 22320 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7462 -21.7462 -21.7462 -21.7462 -8.4599 -8.4599 -8.4504 -8.4504 -6.5236 -6.5236 -6.4902 -6.4902 -6.4536 -6.4536 -6.4465 -6.4465 -1.8878 -1.8878 -1.8373 -1.8373 3.8458 3.8458 3.8848 3.8848 4.1598 4.1598 4.2697 4.2697 4.9996 4.9996 5.0687 5.0687 7.2892 7.2892 7.3341 7.3341 9.2986 9.2986 9.3167 9.3167 k = 0.3561 0.5380 0.2717 ( 22316 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7462 -21.7462 -21.7462 -21.7462 -8.4601 -8.4601 -8.4505 -8.4505 -6.5233 -6.5233 -6.4877 -6.4877 -6.4567 -6.4567 -6.4479 -6.4479 -1.8871 -1.8871 -1.8358 -1.8358 3.8570 3.8570 3.9099 3.9099 4.1257 4.1257 4.2520 4.2520 4.9957 4.9957 5.0642 5.0642 7.2976 7.2976 7.3436 7.3436 9.3334 9.3334 9.3420 9.3420 k = 0.3485 0.5511 0.2717 ( 22318 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4603 -8.4603 -8.4506 -8.4506 -6.5230 -6.5230 -6.4855 -6.4855 -6.4593 -6.4593 -6.4489 -6.4489 -1.8866 -1.8866 -1.8346 -1.8346 3.8652 3.8652 3.9332 3.9332 4.0959 4.0959 4.2391 4.2391 4.9927 4.9927 5.0609 5.0609 7.3035 7.3035 7.3502 7.3502 9.3639 9.3639 9.3659 9.3659 k = 0.3409 0.5642 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4605 -8.4605 -8.4507 -8.4507 -6.5229 -6.5229 -6.4840 -6.4840 -6.4611 -6.4611 -6.4495 -6.4495 -1.8863 -1.8863 -1.8339 -1.8339 3.8700 3.8700 3.9516 3.9516 4.0735 4.0735 4.2314 4.2314 4.9909 4.9909 5.0588 5.0588 7.3070 7.3070 7.3541 7.3541 9.3803 9.3803 9.3926 9.3926 k = 0.3333 0.5774 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4605 -8.4605 -8.4507 -8.4507 -6.5229 -6.5229 -6.4835 -6.4835 -6.4617 -6.4617 -6.4497 -6.4497 -1.8861 -1.8861 -1.8337 -1.8337 3.8716 3.8716 3.9592 3.9592 4.0647 4.0647 4.2289 4.2289 4.9903 4.9903 5.0580 5.0580 7.3081 7.3081 7.3553 7.3553 9.3868 9.3868 9.4043 9.4043 k = 0.3333 0.5774 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4605 -8.4605 -8.4507 -8.4507 -6.5229 -6.5229 -6.4835 -6.4835 -6.4617 -6.4617 -6.4497 -6.4497 -1.8861 -1.8861 -1.8337 -1.8337 3.8716 3.8716 3.9592 3.9592 4.0647 4.0647 4.2289 4.2289 4.9903 4.9903 5.0580 5.0580 7.3081 7.3081 7.3553 7.3553 9.3868 9.3868 9.4043 9.4043 k = 0.3256 0.5639 0.2717 ( 22326 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4605 -8.4605 -8.4507 -8.4507 -6.5229 -6.5229 -6.4840 -6.4840 -6.4611 -6.4611 -6.4495 -6.4495 -1.8863 -1.8863 -1.8339 -1.8339 3.8701 3.8701 3.9518 3.9518 4.0734 4.0734 4.2313 4.2313 4.9910 4.9910 5.0588 5.0588 7.3070 7.3070 7.3541 7.3541 9.3786 9.3786 9.3900 9.3900 k = 0.3178 0.5505 0.2717 ( 22328 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4603 -8.4603 -8.4506 -8.4506 -6.5229 -6.5229 -6.4853 -6.4853 -6.4594 -6.4594 -6.4489 -6.4489 -1.8867 -1.8867 -1.8347 -1.8347 3.8664 3.8664 3.9352 3.9352 4.0942 4.0942 4.2381 4.2381 4.9930 4.9930 5.0613 5.0613 7.3040 7.3040 7.3507 7.3507 9.3515 9.3515 9.3531 9.3531 k = 0.3101 0.5371 0.2717 ( 22320 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7462 -21.7462 -21.7462 -21.7462 -8.4601 -8.4601 -8.4504 -8.4504 -6.5229 -6.5229 -6.4870 -6.4870 -6.4572 -6.4572 -6.4481 -6.4481 -1.8874 -1.8874 -1.8360 -1.8360 3.8611 3.8611 3.9160 3.9160 4.1203 4.1203 4.2484 4.2484 4.9965 4.9965 5.0655 5.0655 7.2994 7.2994 7.3453 7.3453 9.2989 9.2989 9.3124 9.3124 k = 0.3023 0.5236 0.2717 ( 22314 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7462 -21.7462 -21.7462 -21.7462 -8.4597 -8.4597 -8.4502 -8.4502 -6.5228 -6.5228 -6.4888 -6.4888 -6.4546 -6.4546 -6.4470 -6.4470 -1.8885 -1.8885 -1.8379 -1.8379 3.8551 3.8551 3.8972 3.8972 4.1490 4.1490 4.2614 4.2614 5.0014 5.0014 5.0713 5.0713 7.2935 7.2935 7.3386 7.3386 9.2388 9.2388 9.2608 9.2608 k = 0.2946 0.5102 0.2717 ( 22310 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7463 -21.7463 -21.7463 -21.7463 -8.4592 -8.4592 -8.4499 -8.4499 -6.5225 -6.5225 -6.4905 -6.4905 -6.4517 -6.4517 -6.4456 -6.4456 -1.8900 -1.8900 -1.8404 -1.8404 3.8491 3.8491 3.8798 3.8798 4.1791 4.1791 4.2766 4.2766 5.0076 5.0076 5.0789 5.0789 7.2867 7.2867 7.3307 7.3307 9.1748 9.1748 9.2021 9.2021 k = 0.2868 0.4968 0.2717 ( 22318 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7464 -21.7464 -21.7464 -21.7464 -8.4586 -8.4586 -8.4495 -8.4495 -6.5221 -6.5221 -6.4921 -6.4921 -6.4488 -6.4488 -6.4440 -6.4440 -1.8918 -1.8918 -1.8434 -1.8434 3.8437 3.8437 3.8644 3.8644 4.2100 4.2100 4.2933 4.2933 5.0152 5.0152 5.0881 5.0881 7.2795 7.2795 7.3222 7.3222 9.1085 9.1085 9.1388 9.1388 k = 0.2791 0.4834 0.2717 ( 22322 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7466 -21.7466 -21.7466 -21.7466 -8.4579 -8.4579 -8.4491 -8.4491 -6.5215 -6.5215 -6.4934 -6.4934 -6.4458 -6.4458 -6.4423 -6.4423 -1.8940 -1.8940 -1.8470 -1.8470 3.8392 3.8392 3.8513 3.8513 4.2416 4.2416 4.3113 4.3113 5.0239 5.0239 5.0987 5.0987 7.2723 7.2723 7.3135 7.3135 9.0411 9.0411 9.0730 9.0730 k = 0.2713 0.4699 0.2717 ( 22320 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7467 -21.7467 -21.7467 -21.7467 -8.4570 -8.4570 -8.4485 -8.4485 -6.5206 -6.5206 -6.4944 -6.4944 -6.4429 -6.4429 -6.4405 -6.4405 -1.8966 -1.8966 -1.8511 -1.8511 3.8361 3.8361 3.8406 3.8406 4.2738 4.2738 4.3302 4.3302 5.0335 5.0335 5.1107 5.1107 7.2654 7.2654 7.3051 7.3051 8.9733 8.9733 9.0057 9.0057 k = 0.2636 0.4565 0.2717 ( 22322 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7469 -21.7469 -21.7469 -21.7469 -8.4560 -8.4560 -8.4478 -8.4478 -6.5194 -6.5194 -6.4951 -6.4951 -6.4399 -6.4399 -6.4386 -6.4386 -1.8996 -1.8996 -1.8558 -1.8558 3.8324 3.8324 3.8345 3.8345 4.3065 4.3065 4.3500 4.3500 5.0440 5.0440 5.1237 5.1237 7.2593 7.2593 7.2973 7.2973 8.9057 8.9057 8.9379 8.9379 k = 0.2558 0.4431 0.2717 ( 22330 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7471 -21.7471 -21.7471 -21.7471 -8.4549 -8.4549 -8.4471 -8.4471 -6.5180 -6.5180 -6.4956 -6.4956 -6.4370 -6.4370 -6.4365 -6.4365 -1.9030 -1.9030 -1.8611 -1.8611 3.8267 3.8267 3.8347 3.8347 4.3397 4.3397 4.3707 4.3707 5.0551 5.0551 5.1376 5.1376 7.2544 7.2544 7.2907 7.2907 8.8387 8.8387 8.8703 8.8703 k = 0.2481 0.4297 0.2717 ( 22330 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4537 -8.4537 -8.4462 -8.4462 -6.5163 -6.5163 -6.4957 -6.4957 -6.4344 -6.4344 -6.4341 -6.4341 -1.9068 -1.9068 -1.8669 -1.8669 3.8235 3.8235 3.8366 3.8366 4.3736 4.3736 4.3920 4.3920 5.0665 5.0665 5.1521 5.1521 7.2510 7.2510 7.2857 7.2857 8.7726 8.7726 8.8033 8.8033 k = 0.2403 0.4162 0.2717 ( 22334 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7476 -21.7476 -21.7476 -21.7476 -8.4523 -8.4523 -8.4452 -8.4452 -6.5144 -6.5144 -6.4955 -6.4955 -6.4322 -6.4322 -6.4312 -6.4312 -1.9111 -1.9111 -1.8732 -1.8732 3.8228 3.8228 3.8405 3.8405 4.4081 4.4081 4.4142 4.4142 5.0780 5.0780 5.1669 5.1669 7.2497 7.2497 7.2826 7.2826 8.7078 8.7078 8.7375 8.7375 k = 0.2326 0.4028 0.2717 ( 22348 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7479 -21.7479 -21.7479 -21.7479 -8.4509 -8.4509 -8.4442 -8.4442 -6.5122 -6.5122 -6.4950 -6.4950 -6.4299 -6.4299 -6.4283 -6.4283 -1.9158 -1.9158 -1.8799 -1.8799 3.8246 3.8246 3.8462 3.8462 4.4371 4.4371 4.4433 4.4433 5.0893 5.0893 5.1817 5.1817 7.2508 7.2508 7.2819 7.2819 8.6446 8.6446 8.6730 8.6730 k = 0.2248 0.3894 0.2717 ( 22334 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7481 -21.7481 -21.7481 -21.7481 -8.4493 -8.4493 -8.4430 -8.4430 -6.5098 -6.5098 -6.4942 -6.4942 -6.4276 -6.4276 -6.4254 -6.4254 -1.9209 -1.9209 -1.8872 -1.8872 3.8287 3.8287 3.8539 3.8539 4.4609 4.4609 4.4792 4.4792 5.1001 5.1001 5.1963 5.1963 7.2546 7.2546 7.2840 7.2840 8.5833 8.5833 8.6104 8.6104 k = 0.2171 0.3759 0.2717 ( 22326 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7485 -21.7485 -21.7485 -21.7485 -8.4476 -8.4476 -8.4417 -8.4417 -6.5072 -6.5072 -6.4932 -6.4932 -6.4251 -6.4251 -6.4225 -6.4225 -1.9264 -1.9264 -1.8949 -1.8949 3.8353 3.8353 3.8634 3.8634 4.4855 4.4855 4.5158 4.5158 5.1102 5.1102 5.2104 5.2104 7.2615 7.2615 7.2893 7.2893 8.5240 8.5240 8.5498 8.5498 k = 0.2093 0.3625 0.2717 ( 22326 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7488 -21.7488 -21.7488 -21.7488 -8.4458 -8.4458 -8.4404 -8.4404 -6.5044 -6.5044 -6.4919 -6.4919 -6.4226 -6.4226 -6.4195 -6.4195 -1.9323 -1.9323 -1.9030 -1.9030 3.8441 3.8441 3.8748 3.8748 4.5109 4.5109 4.5532 4.5532 5.1194 5.1194 5.2238 5.2238 7.2718 7.2718 7.2982 7.2982 8.4672 8.4672 8.4915 8.4915 k = 0.2016 0.3491 0.2717 ( 22324 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7491 -21.7491 -21.7491 -21.7491 -8.4440 -8.4440 -8.4389 -8.4389 -6.5015 -6.5015 -6.4905 -6.4905 -6.4199 -6.4199 -6.4165 -6.4165 -1.9386 -1.9386 -1.9115 -1.9115 3.8552 3.8552 3.8880 3.8880 4.5372 4.5372 4.5913 4.5913 5.1275 5.1275 5.2365 5.2365 7.2858 7.2858 7.3108 7.3108 8.4129 8.4129 8.4359 8.4359 k = 0.1938 0.3357 0.2717 ( 22316 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7495 -21.7495 -21.7495 -21.7495 -8.4421 -8.4421 -8.4374 -8.4374 -6.4986 -6.4986 -6.4889 -6.4889 -6.4170 -6.4170 -6.4134 -6.4134 -1.9452 -1.9452 -1.9203 -1.9203 3.8682 3.8682 3.9028 3.9028 4.5642 4.5642 4.6301 4.6301 5.1345 5.1345 5.2482 5.2482 7.3037 7.3037 7.3276 7.3276 8.3615 8.3615 8.3830 8.3830 k = 0.1860 0.3222 0.2717 ( 22316 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7499 -21.7499 -21.7499 -21.7499 -8.4401 -8.4401 -8.4359 -8.4359 -6.4956 -6.4956 -6.4872 -6.4872 -6.4139 -6.4139 -6.4102 -6.4102 -1.9522 -1.9522 -1.9294 -1.9294 3.8833 3.8833 3.9190 3.9190 4.5920 4.5920 4.6694 4.6694 5.1402 5.1402 5.2589 5.2589 7.3257 7.3257 7.3486 7.3486 8.3132 8.3132 8.3332 8.3332 k = 0.1783 0.3088 0.2717 ( 22304 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7502 -21.7502 -21.7502 -21.7502 -8.4381 -8.4381 -8.4342 -8.4342 -6.4927 -6.4927 -6.4855 -6.4855 -6.4107 -6.4107 -6.4068 -6.4068 -1.9594 -1.9594 -1.9388 -1.9388 3.9001 3.9001 3.9367 3.9367 4.6205 4.6205 4.7092 4.7092 5.1448 5.1448 5.2687 5.2687 7.3519 7.3519 7.3740 7.3740 8.2683 8.2683 8.2867 8.2867 k = 0.1705 0.2954 0.2717 ( 22302 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7506 -21.7506 -21.7506 -21.7506 -8.4360 -8.4360 -8.4325 -8.4325 -6.4899 -6.4899 -6.4838 -6.4838 -6.4072 -6.4072 -6.4033 -6.4033 -1.9670 -1.9670 -1.9484 -1.9484 3.9184 3.9184 3.9554 3.9554 4.6497 4.6497 4.7493 4.7493 5.1484 5.1484 5.2776 5.2776 7.3822 7.3822 7.4039 7.4039 8.2268 8.2268 8.2436 8.2436 k = 0.1628 0.2820 0.2717 ( 22310 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7510 -21.7510 -21.7510 -21.7510 -8.4339 -8.4339 -8.4308 -8.4308 -6.4872 -6.4872 -6.4821 -6.4821 -6.4035 -6.4035 -6.3996 -6.3996 -1.9748 -1.9748 -1.9581 -1.9581 3.9382 3.9382 3.9751 3.9751 4.6794 4.6794 4.7896 4.7896 5.1513 5.1513 5.2858 5.2858 7.4167 7.4167 7.4382 7.4382 8.1891 8.1891 8.2042 8.2042 k = 0.1550 0.2685 0.2717 ( 22310 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7514 -21.7514 -21.7514 -21.7514 -8.4318 -8.4318 -8.4291 -8.4291 -6.4846 -6.4846 -6.4804 -6.4804 -6.3995 -6.3995 -6.3957 -6.3957 -1.9828 -1.9828 -1.9680 -1.9680 3.9590 3.9590 3.9954 3.9954 4.7097 4.7097 4.8296 4.8296 5.1538 5.1538 5.2935 5.2935 7.4552 7.4552 7.4768 7.4768 8.1554 8.1554 8.1686 8.1686 k = 0.1473 0.2551 0.2717 ( 22306 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7518 -21.7518 -21.7518 -21.7518 -8.4297 -8.4297 -8.4273 -8.4273 -6.4823 -6.4823 -6.4788 -6.4788 -6.3952 -6.3952 -6.3917 -6.3917 -1.9909 -1.9909 -1.9779 -1.9779 3.9806 3.9806 4.0161 4.0161 4.7404 4.7404 4.8691 4.8691 5.1566 5.1566 5.3010 5.3010 7.4975 7.4975 7.5195 7.5195 8.1257 8.1257 8.1370 8.1370 k = 0.1395 0.2417 0.2717 ( 22306 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7522 -21.7522 -21.7522 -21.7522 -8.4277 -8.4277 -8.4256 -8.4256 -6.4802 -6.4802 -6.4774 -6.4774 -6.3908 -6.3908 -6.3874 -6.3874 -1.9992 -1.9992 -1.9879 -1.9879 4.0028 4.0028 4.0369 4.0369 4.7715 4.7715 4.9074 4.9074 5.1602 5.1602 5.3084 5.3084 7.5431 7.5431 7.5660 7.5660 8.1004 8.1004 8.1095 8.1095 k = 0.1318 0.2283 0.2717 ( 22302 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7526 -21.7526 -21.7526 -21.7526 -8.4256 -8.4256 -8.4238 -8.4238 -6.4783 -6.4783 -6.4761 -6.4761 -6.3861 -6.3861 -6.3830 -6.3830 -2.0075 -2.0075 -1.9978 -1.9978 4.0251 4.0251 4.0573 4.0573 4.8029 4.8029 4.9440 4.9440 5.1656 5.1656 5.3160 5.3160 7.5916 7.5916 7.6158 7.6158 8.0795 8.0795 8.0863 8.0863 k = 0.1240 0.2148 0.2717 ( 22302 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7530 -21.7530 -21.7530 -21.7530 -8.4236 -8.4236 -8.4221 -8.4221 -6.4766 -6.4766 -6.4749 -6.4749 -6.3813 -6.3813 -6.3785 -6.3785 -2.0158 -2.0158 -2.0075 -2.0075 4.0472 4.0472 4.0772 4.0772 4.8347 4.8347 4.9780 4.9780 5.1738 5.1738 5.3240 5.3240 7.6425 7.6425 7.6685 7.6685 8.0632 8.0632 8.0673 8.0673 k = 0.1163 0.2014 0.2717 ( 22286 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7534 -21.7534 -21.7534 -21.7534 -8.4217 -8.4217 -8.4204 -8.4204 -6.4752 -6.4752 -6.4738 -6.4738 -6.3763 -6.3763 -6.3739 -6.3739 -2.0240 -2.0240 -2.0171 -2.0171 4.0688 4.0688 4.0961 4.0961 4.8667 4.8667 5.0084 5.0084 5.1859 5.1859 5.3327 5.3327 7.6951 7.6951 7.7234 7.7234 8.0516 8.0516 8.0528 8.0528 k = 0.1085 0.1880 0.2717 ( 22282 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7538 -21.7538 -21.7538 -21.7538 -8.4199 -8.4199 -8.4188 -8.4188 -6.4740 -6.4740 -6.4729 -6.4729 -6.3713 -6.3713 -6.3692 -6.3692 -2.0322 -2.0322 -2.0264 -2.0264 4.0895 4.0895 4.1138 4.1138 4.8990 4.8990 5.0344 5.0344 5.2029 5.2029 5.3421 5.3421 7.7485 7.7485 7.7798 7.7798 8.0426 8.0426 8.0448 8.0448 k = 0.1008 0.1745 0.2717 ( 22290 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7542 -21.7542 -21.7542 -21.7542 -8.4181 -8.4181 -8.4172 -8.4172 -6.4730 -6.4730 -6.4722 -6.4722 -6.3663 -6.3663 -6.3645 -6.3645 -2.0401 -2.0401 -2.0354 -2.0354 4.1088 4.1088 4.1300 4.1300 4.9313 4.9313 5.0560 5.0560 5.2249 5.2249 5.3524 5.3524 7.8017 7.8017 7.8367 7.8367 8.0369 8.0369 8.0431 8.0431 k = 0.0930 0.1611 0.2717 ( 22282 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7545 -21.7545 -21.7545 -21.7545 -8.4164 -8.4164 -8.4157 -8.4157 -6.4721 -6.4721 -6.4715 -6.4715 -6.3613 -6.3613 -6.3599 -6.3599 -2.0478 -2.0478 -2.0441 -2.0441 4.1267 4.1267 4.1446 4.1446 4.9637 4.9637 5.0740 5.0740 5.2508 5.2508 5.3634 5.3634 7.8535 7.8535 7.8932 7.8932 8.0355 8.0355 8.0465 8.0465 k = 0.0853 0.1477 0.2717 ( 22276 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7548 -21.7548 -21.7548 -21.7548 -8.4148 -8.4148 -8.4142 -8.4142 -6.4714 -6.4714 -6.4710 -6.4710 -6.3565 -6.3565 -6.3554 -6.3554 -2.0552 -2.0552 -2.0523 -2.0523 4.1427 4.1427 4.1575 4.1575 4.9957 4.9957 5.0897 5.0897 5.2794 5.2794 5.3752 5.3752 7.9026 7.9026 7.9480 7.9480 8.0384 8.0384 8.0552 8.0552 k = 0.0775 0.1343 0.2717 ( 22260 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7551 -21.7551 -21.7551 -21.7551 -8.4133 -8.4133 -8.4129 -8.4129 -6.4709 -6.4709 -6.4706 -6.4706 -6.3519 -6.3519 -6.3510 -6.3510 -2.0623 -2.0623 -2.0601 -2.0601 4.1569 4.1569 4.1686 4.1686 5.0272 5.0272 5.1042 5.1042 5.3092 5.3092 5.3877 5.3877 7.9473 7.9473 7.9990 7.9990 8.0463 8.0463 8.0694 8.0694 k = 0.0698 0.1208 0.2717 ( 22236 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7554 -21.7554 -21.7554 -21.7554 -8.4120 -8.4120 -8.4116 -8.4116 -6.4705 -6.4705 -6.4702 -6.4702 -6.3475 -6.3475 -6.3468 -6.3468 -2.0689 -2.0689 -2.0672 -2.0672 4.1690 4.1690 4.1780 4.1780 5.0576 5.0576 5.1182 5.1182 5.3390 5.3390 5.4008 5.4008 7.9867 7.9867 8.0398 8.0398 8.0642 8.0642 8.0889 8.0889 k = 0.0620 0.1074 0.2717 ( 22228 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7557 -21.7557 -21.7557 -21.7557 -8.4107 -8.4107 -8.4105 -8.4105 -6.4701 -6.4701 -6.4700 -6.4700 -6.3434 -6.3434 -6.3429 -6.3429 -2.0750 -2.0750 -2.0738 -2.0738 4.1792 4.1792 4.1857 4.1857 5.0865 5.0865 5.1319 5.1319 5.3678 5.3678 5.4144 5.4144 8.0205 8.0205 8.0608 8.0608 8.1000 8.1000 8.1122 8.1122 k = 0.0543 0.0940 0.2717 ( 22228 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7559 -21.7559 -21.7559 -21.7559 -8.4096 -8.4096 -8.4095 -8.4095 -6.4699 -6.4699 -6.4698 -6.4698 -6.3397 -6.3397 -6.3393 -6.3393 -2.0805 -2.0805 -2.0797 -2.0797 4.1875 4.1875 4.1920 4.1920 5.1132 5.1132 5.1454 5.1454 5.3950 5.3950 5.4281 5.4281 8.0499 8.0499 8.0774 8.0774 8.1368 8.1368 8.1369 8.1369 k = 0.0465 0.0806 0.2717 ( 22220 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7561 -21.7561 -21.7561 -21.7561 -8.4087 -8.4087 -8.4086 -8.4086 -6.4697 -6.4697 -6.4696 -6.4696 -6.3363 -6.3363 -6.3361 -6.3361 -2.0855 -2.0855 -2.0850 -2.0850 4.1941 4.1941 4.1970 4.1970 5.1373 5.1373 5.1585 5.1585 5.4198 5.4198 5.4418 5.4418 8.0764 8.0764 8.0944 8.0944 8.1602 8.1602 8.1684 8.1684 k = 0.0388 0.0671 0.2717 ( 22212 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7563 -21.7563 -21.7563 -21.7563 -8.4078 -8.4078 -8.4078 -8.4078 -6.4695 -6.4695 -6.4695 -6.4695 -6.3334 -6.3334 -6.3333 -6.3333 -2.0897 -2.0897 -2.0894 -2.0894 4.1991 4.1991 4.2008 4.2008 5.1580 5.1580 5.1708 5.1708 5.4417 5.4417 5.4550 5.4550 8.1004 8.1004 8.1117 8.1117 8.1803 8.1803 8.1937 8.1937 k = 0.0310 0.0537 0.2717 ( 22212 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7565 -21.7565 -21.7565 -21.7565 -8.4072 -8.4072 -8.4071 -8.4071 -6.4694 -6.4694 -6.4694 -6.4694 -6.3310 -6.3310 -6.3310 -6.3310 -2.0933 -2.0933 -2.0932 -2.0932 4.2029 4.2029 4.2038 4.2038 5.1752 5.1752 5.1819 5.1819 5.4602 5.4602 5.4673 5.4673 8.1218 8.1218 8.1280 8.1280 8.1962 8.1962 8.2124 8.2124 k = 0.0233 0.0403 0.2717 ( 22212 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7566 -21.7566 -21.7566 -21.7566 -8.4066 -8.4066 -8.4066 -8.4066 -6.4693 -6.4693 -6.4693 -6.4693 -6.3291 -6.3291 -6.3291 -6.3291 -2.0961 -2.0961 -2.0961 -2.0961 4.2055 4.2055 4.2059 4.2059 5.1884 5.1884 5.1913 5.1913 5.4749 5.4749 5.4779 5.4779 8.1390 8.1390 8.1419 8.1419 8.2078 8.2078 8.2245 8.2245 k = 0.0155 0.0269 0.2717 ( 22212 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4063 -8.4063 -8.4063 -8.4063 -6.4693 -6.4693 -6.4693 -6.4693 -6.3278 -6.3278 -6.3277 -6.3277 -2.0982 -2.0982 -2.0982 -2.0982 4.2072 4.2072 4.2073 4.2073 5.1977 5.1977 5.1986 5.1986 5.4854 5.4854 5.4864 5.4864 8.1504 8.1504 8.1513 8.1513 8.2157 8.2157 8.2287 8.2287 k = 0.0078 0.0134 0.2717 ( 22212 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4060 -8.4060 -8.4060 -8.4060 -6.4693 -6.4693 -6.4693 -6.4693 -6.3269 -6.3269 -6.3269 -6.3269 -2.0994 -2.0994 -2.0994 -2.0994 4.2081 4.2081 4.2082 4.2082 5.2031 5.2031 5.2032 5.2032 5.4917 5.4917 5.4918 5.4918 8.1552 8.1552 8.1553 8.1553 8.2206 8.2207 8.2232 8.2232 k = 0.0000 0.0000 0.2717 ( 22244 PWs) bands (ev): -40.2126 -40.2126 -40.2126 -40.2126 -21.7567 -21.7567 -21.7567 -21.7567 -8.4060 -8.4060 -8.4060 -8.4060 -6.4693 -6.4693 -6.4693 -6.4693 -6.3266 -6.3266 -6.3266 -6.3266 -2.0998 -2.0998 -2.0998 -2.0998 4.2084 4.2084 4.2084 4.2084 5.2048 5.2048 5.2048 5.2048 5.4938 5.4938 5.4938 5.4938 8.1561 8.1561 8.1561 8.1561 8.2219 8.2219 8.2219 8.2219 k = 0.5000 0.2887 0.2717 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7473 -21.7473 -8.4512 -8.4512 -8.4512 -8.4512 -6.5306 -6.5306 -6.5306 -6.5306 -6.4067 -6.4067 -6.4067 -6.4067 -1.8897 -1.8897 -1.8897 -1.8897 3.6090 3.6090 3.6090 3.6090 4.7389 4.7389 4.7389 4.7389 5.1324 5.1324 5.1324 5.1324 7.0035 7.0035 7.0035 7.0035 8.5472 8.5472 8.5472 8.5472 k = 0.5000 0.2887 0.2566 ( 22336 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7479 -21.7479 -21.7467 -21.7467 -8.4528 -8.4528 -8.4496 -8.4496 -6.5327 -6.5327 -6.5290 -6.5290 -6.4105 -6.4105 -6.4024 -6.4024 -1.9068 -1.9068 -1.8727 -1.8727 3.5664 3.5664 3.6525 3.6525 4.7128 4.7128 4.7648 4.7648 5.1091 5.1091 5.1550 5.1550 6.9808 6.9808 7.0229 7.0229 8.5464 8.5464 8.5592 8.5592 k = 0.5000 0.2887 0.2415 ( 22338 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7485 -21.7485 -21.7461 -21.7461 -8.4545 -8.4545 -8.4480 -8.4480 -6.5353 -6.5353 -6.5278 -6.5278 -6.4136 -6.4136 -6.3975 -6.3975 -1.9236 -1.9236 -1.8557 -1.8557 3.5248 3.5248 3.6967 3.6967 4.6868 4.6868 4.7900 4.7900 5.0853 5.0853 5.1770 5.1770 6.9551 6.9551 7.0389 7.0389 8.5568 8.5568 8.5822 8.5822 k = 0.5000 0.2887 0.2264 ( 22316 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7490 -21.7490 -21.7455 -21.7455 -8.4562 -8.4562 -8.4465 -8.4465 -6.5381 -6.5381 -6.5271 -6.5271 -6.4161 -6.4161 -6.3923 -6.3923 -1.9402 -1.9402 -1.8390 -1.8390 3.4844 3.4844 3.7413 3.7413 4.6612 4.6612 4.8141 4.8141 5.0614 5.0614 5.1981 5.1981 6.9267 6.9267 7.0516 7.0516 8.5779 8.5779 8.6156 8.6156 k = 0.5000 0.2887 0.2113 ( 22306 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7496 -21.7496 -21.7450 -21.7450 -8.4578 -8.4578 -8.4450 -8.4450 -6.5413 -6.5413 -6.5269 -6.5269 -6.4180 -6.4180 -6.3868 -6.3868 -1.9564 -1.9564 -1.8226 -1.8226 3.4456 3.4456 3.7862 3.7862 4.6361 4.6361 4.8361 4.8361 5.0380 5.0380 5.2184 5.2184 6.8964 6.8964 7.0616 7.0616 8.6090 8.6090 8.6587 8.6587 k = 0.5000 0.2887 0.1962 ( 22288 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7501 -21.7501 -21.7444 -21.7444 -8.4594 -8.4594 -8.4437 -8.4437 -6.5447 -6.5447 -6.5271 -6.5271 -6.4192 -6.4192 -6.3810 -6.3810 -1.9721 -1.9721 -1.8067 -1.8067 3.4084 3.4084 3.8312 3.8312 4.6118 4.6118 4.8547 4.8547 5.0164 5.0164 5.2379 5.2379 6.8647 6.8647 7.0692 7.0692 8.6491 8.6491 8.7107 8.7107 k = 0.5000 0.2887 0.1811 ( 22290 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7507 -21.7507 -21.7439 -21.7439 -8.4610 -8.4610 -8.4423 -8.4423 -6.5482 -6.5482 -6.5277 -6.5277 -6.4199 -6.4199 -6.3752 -6.3752 -1.9871 -1.9871 -1.7914 -1.7914 3.3730 3.3730 3.8760 3.8760 4.5884 4.5884 4.8671 4.8671 4.9992 4.9992 5.2565 5.2565 6.8325 6.8325 7.0751 7.0751 8.6970 8.6970 8.7706 8.7706 k = 0.5000 0.2887 0.1660 ( 22318 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7512 -21.7512 -21.7434 -21.7434 -8.4625 -8.4625 -8.4411 -8.4411 -6.5518 -6.5518 -6.5285 -6.5285 -6.4202 -6.4202 -6.3695 -6.3695 -2.0013 -2.0013 -1.7768 -1.7768 3.3397 3.3397 3.9205 3.9205 4.5662 4.5662 4.8694 4.8694 4.9902 4.9902 5.2741 5.2741 6.8003 6.8003 7.0796 7.0796 8.7513 8.7513 8.8376 8.8376 k = 0.5000 0.2887 0.1509 ( 22296 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7516 -21.7516 -21.7429 -21.7429 -8.4640 -8.4640 -8.4400 -8.4400 -6.5553 -6.5553 -6.5295 -6.5295 -6.4201 -6.4201 -6.3638 -6.3638 -2.0147 -2.0147 -1.7630 -1.7630 3.3086 3.3086 3.9645 3.9645 4.5452 4.5452 4.8596 4.8596 4.9913 4.9913 5.2908 5.2908 6.7690 6.7690 7.0833 7.0833 8.8103 8.8103 8.9110 8.9110 k = 0.5000 0.2887 0.1358 ( 22284 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7521 -21.7521 -21.7425 -21.7425 -8.4654 -8.4654 -8.4390 -8.4390 -6.5587 -6.5587 -6.5306 -6.5306 -6.4197 -6.4197 -6.3584 -6.3584 -2.0271 -2.0271 -1.7502 -1.7502 3.2800 3.2800 4.0078 4.0078 4.5254 4.5254 4.8406 4.8406 4.9998 4.9998 5.3064 5.3064 6.7389 6.7389 7.0865 7.0865 8.8723 8.8723 8.9901 8.9901 k = 0.5000 0.2887 0.1208 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7525 -21.7525 -21.7421 -21.7421 -8.4666 -8.4666 -8.4380 -8.4380 -6.5619 -6.5619 -6.5318 -6.5318 -6.4192 -6.4192 -6.3533 -6.3533 -2.0385 -2.0385 -1.7384 -1.7384 3.2539 3.2539 4.0501 4.0501 4.5070 4.5070 4.8165 4.8165 5.0116 5.0116 5.3209 5.3209 6.7107 6.7107 7.0894 7.0894 8.9352 8.9352 9.0742 9.0742 k = 0.5000 0.2887 0.1057 ( 22298 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7417 -21.7417 -8.4678 -8.4678 -8.4372 -8.4372 -6.5649 -6.5649 -6.5330 -6.5330 -6.4185 -6.4185 -6.3486 -6.3486 -2.0488 -2.0488 -1.7278 -1.7278 3.2305 3.2305 4.0913 4.0913 4.4899 4.4899 4.7900 4.7900 5.0242 5.0242 5.3341 5.3341 6.6848 6.6848 7.0922 7.0922 8.9971 8.9971 9.1631 9.1631 k = 0.5000 0.2887 0.0906 ( 22316 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7531 -21.7531 -21.7414 -21.7414 -8.4688 -8.4688 -8.4365 -8.4365 -6.5676 -6.5676 -6.5341 -6.5341 -6.4178 -6.4178 -6.3444 -6.3444 -2.0578 -2.0578 -1.7185 -1.7185 3.2099 3.2099 4.1308 4.1308 4.4742 4.4742 4.7630 4.7630 5.0363 5.0363 5.3460 5.3460 6.6617 6.6617 7.0949 7.0949 9.0558 9.0558 9.2560 9.2560 k = 0.5000 0.2887 0.0755 ( 22324 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7534 -21.7534 -21.7411 -21.7411 -8.4697 -8.4697 -8.4358 -8.4358 -6.5699 -6.5699 -6.5351 -6.5351 -6.4171 -6.4171 -6.3407 -6.3407 -2.0656 -2.0656 -1.7104 -1.7104 3.1923 3.1923 4.1683 4.1683 4.4597 4.4597 4.7366 4.7366 5.0470 5.0470 5.3563 5.3563 6.6415 6.6415 7.0974 7.0974 9.1095 9.1095 9.3524 9.3524 k = 0.5000 0.2887 0.0604 ( 22324 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7536 -21.7536 -21.7409 -21.7409 -8.4705 -8.4705 -8.4353 -8.4353 -6.5719 -6.5719 -6.5359 -6.5359 -6.4164 -6.4164 -6.3376 -6.3376 -2.0720 -2.0720 -1.7037 -1.7037 3.1778 3.1778 4.2031 4.2031 4.4462 4.4462 4.7121 4.7121 5.0562 5.0562 5.3650 5.3650 6.6247 6.6247 7.0998 7.0998 9.1561 9.1561 9.4514 9.4514 k = 0.5000 0.2887 0.0453 ( 22340 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7538 -21.7538 -21.7407 -21.7407 -8.4711 -8.4711 -8.4349 -8.4349 -6.5734 -6.5734 -6.5366 -6.5366 -6.4159 -6.4159 -6.3352 -6.3352 -2.0771 -2.0771 -1.6984 -1.6984 3.1664 3.1664 4.2342 4.2342 4.4339 4.4339 4.6907 4.6907 5.0635 5.0635 5.3719 5.3719 6.6114 6.6114 7.1017 7.1017 9.1942 9.1942 9.5493 9.5493 k = 0.5000 0.2887 0.0302 ( 22342 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7539 -21.7539 -21.7406 -21.7406 -8.4715 -8.4715 -8.4347 -8.4347 -6.5746 -6.5746 -6.5372 -6.5372 -6.4155 -6.4155 -6.3334 -6.3334 -2.0807 -2.0807 -1.6946 -1.6946 3.1582 3.1582 4.2600 4.2600 4.4229 4.4229 4.6738 4.6738 5.0688 5.0688 5.3769 5.3769 6.6018 6.6018 7.1032 7.1032 9.2223 9.2223 9.5730 9.5730 k = 0.5000 0.2887 0.0151 ( 22342 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4717 -8.4717 -8.4345 -8.4345 -6.5753 -6.5753 -6.5375 -6.5375 -6.4152 -6.4152 -6.3323 -6.3323 -2.0829 -2.0829 -1.6923 -1.6923 3.1532 3.1532 4.2778 4.2778 4.4147 4.4147 4.6629 4.6629 5.0720 5.0720 5.3799 5.3799 6.5959 6.5959 7.1042 7.1042 9.2396 9.2396 9.5670 9.5670 k = 0.5000 0.2887-0.0000 ( 22348 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7540 -21.7540 -21.7405 -21.7405 -8.4718 -8.4718 -8.4344 -8.4344 -6.5755 -6.5755 -6.5376 -6.5376 -6.4152 -6.4152 -6.3320 -6.3320 -2.0836 -2.0836 -1.6916 -1.6916 3.1516 3.1516 4.2844 4.2844 4.4115 4.4115 4.6592 4.6592 5.0730 5.0730 5.3809 5.3809 6.5940 6.5940 7.1045 7.1045 9.2455 9.2455 9.5648 9.5648 k = 0.3333 0.5774-0.0000 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7393 -21.7393 -8.4737 -8.4737 -8.4411 -8.4411 -6.5516 -6.5516 -6.5393 -6.5393 -6.4534 -6.4534 -6.3611 -6.3611 -1.8882 -1.8882 -1.8387 -1.8387 3.5159 3.5159 3.8623 3.8623 4.0366 4.0366 4.7788 4.7788 4.9814 4.9814 5.0620 5.0620 7.8256 7.8256 7.8639 7.8639 8.5231 8.5231 8.6444 8.6444 k = 0.3333 0.5774 0.0151 ( 22338 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7528 -21.7528 -21.7394 -21.7394 -8.4737 -8.4737 -8.4412 -8.4412 -6.5515 -6.5515 -6.5390 -6.5390 -6.4535 -6.4535 -6.3615 -6.3615 -1.8882 -1.8882 -1.8387 -1.8387 3.5179 3.5179 3.8624 3.8624 4.0367 4.0367 4.7761 4.7761 4.9814 4.9814 5.0620 5.0620 7.8184 7.8184 7.8560 7.8560 8.5336 8.5336 8.6537 8.6537 k = 0.3333 0.5774 0.0302 ( 22335 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7527 -21.7527 -21.7394 -21.7394 -8.4735 -8.4735 -8.4413 -8.4413 -6.5510 -6.5510 -6.5381 -6.5381 -6.4540 -6.4540 -6.3627 -6.3627 -1.8882 -1.8882 -1.8385 -1.8385 3.5239 3.5239 3.8626 3.8626 4.0370 4.0370 4.7681 4.7681 4.9814 4.9814 5.0619 5.0619 7.7980 7.7980 7.8336 7.8336 8.5637 8.5637 8.6798 8.6798 k = 0.3333 0.5774 0.0453 ( 22326 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7526 -21.7526 -21.7396 -21.7396 -8.4731 -8.4731 -8.4415 -8.4415 -6.5503 -6.5503 -6.5366 -6.5366 -6.4548 -6.4548 -6.3645 -6.3645 -1.8881 -1.8881 -1.8384 -1.8384 3.5339 3.5339 3.8630 3.8630 4.0375 4.0375 4.7548 4.7548 4.9814 4.9814 5.0618 5.0618 7.7669 7.7669 7.8005 7.8005 8.6097 8.6097 8.7166 8.7166 k = 0.3333 0.5774 0.0604 ( 22338 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7524 -21.7524 -21.7398 -21.7398 -8.4726 -8.4726 -8.4418 -8.4418 -6.5492 -6.5492 -6.5345 -6.5345 -6.4559 -6.4559 -6.3671 -6.3671 -1.8880 -1.8880 -1.8381 -1.8381 3.5477 3.5477 3.8634 3.8634 4.0382 4.0382 4.7364 4.7364 4.9815 4.9815 5.0616 5.0616 7.7284 7.7284 7.7604 7.7604 8.6677 8.6677 8.7481 8.7481 k = 0.3333 0.5774 0.0755 ( 22338 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7522 -21.7522 -21.7400 -21.7400 -8.4720 -8.4720 -8.4422 -8.4422 -6.5479 -6.5479 -6.5319 -6.5319 -6.4573 -6.4573 -6.3704 -6.3704 -1.8879 -1.8879 -1.8378 -1.8378 3.5654 3.5654 3.8640 3.8640 4.0390 4.0390 4.7131 4.7131 4.9817 4.9817 5.0613 5.0613 7.6855 7.6855 7.7167 7.7167 8.7343 8.7343 8.7728 8.7728 k = 0.3333 0.5774 0.0906 ( 22299 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7519 -21.7519 -21.7403 -21.7403 -8.4713 -8.4713 -8.4426 -8.4426 -6.5463 -6.5463 -6.5287 -6.5287 -6.4590 -6.4590 -6.3744 -6.3744 -1.8877 -1.8877 -1.8374 -1.8374 3.5866 3.5866 3.8646 3.8646 4.0400 4.0400 4.6851 4.6851 4.9821 4.9821 5.0610 5.0610 7.6404 7.6404 7.6716 7.6716 8.7990 8.7990 8.8070 8.8070 k = 0.3333 0.5774 0.1057 ( 22314 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7516 -21.7516 -21.7406 -21.7406 -8.4705 -8.4705 -8.4432 -8.4432 -6.5445 -6.5445 -6.5250 -6.5250 -6.4609 -6.4609 -6.3790 -6.3790 -1.8876 -1.8876 -1.8370 -1.8370 3.6114 3.6114 3.8653 3.8653 4.0411 4.0411 4.6529 4.6529 4.9827 4.9827 5.0607 5.0607 7.5950 7.5950 7.6270 7.6270 8.8288 8.8288 8.8841 8.8841 k = 0.3333 0.5774 0.1208 ( 22326 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7513 -21.7513 -21.7409 -21.7409 -8.4695 -8.4695 -8.4438 -8.4438 -6.5425 -6.5425 -6.5208 -6.5208 -6.4631 -6.4631 -6.3842 -6.3842 -1.8874 -1.8874 -1.8366 -1.8366 3.6395 3.6395 3.8661 3.8661 4.0423 4.0423 4.6169 4.6169 4.9834 4.9834 5.0603 5.0603 7.5506 7.5506 7.5839 7.5839 8.8625 8.8625 8.9641 8.9641 k = 0.3333 0.5774 0.1358 ( 22326 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7509 -21.7509 -21.7413 -21.7413 -8.4685 -8.4685 -8.4445 -8.4445 -6.5403 -6.5403 -6.5160 -6.5160 -6.4654 -6.4654 -6.3899 -6.3899 -1.8872 -1.8872 -1.8362 -1.8362 3.6707 3.6707 3.8669 3.8669 4.0436 4.0436 4.5775 4.5775 4.9842 4.9842 5.0600 5.0600 7.5083 7.5083 7.5432 7.5432 8.9004 8.9004 9.0459 9.0459 k = 0.3333 0.5774 0.1509 ( 22332 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7504 -21.7504 -21.7418 -21.7418 -8.4675 -8.4675 -8.4452 -8.4452 -6.5379 -6.5379 -6.5108 -6.5108 -6.4679 -6.4679 -6.3960 -6.3960 -1.8870 -1.8870 -1.8357 -1.8357 3.7046 3.7046 3.8677 3.8677 4.0450 4.0450 4.5353 4.5353 4.9851 4.9851 5.0597 5.0597 7.4688 7.4688 7.5057 7.5057 8.9424 8.9424 9.1286 9.1286 k = 0.3333 0.5774 0.1660 ( 22332 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7500 -21.7500 -21.7422 -21.7422 -8.4664 -8.4664 -8.4460 -8.4460 -6.5354 -6.5354 -6.5051 -6.5051 -6.4705 -6.4705 -6.4026 -6.4026 -1.8868 -1.8868 -1.8353 -1.8353 3.7409 3.7409 3.8685 3.8685 4.0464 4.0464 4.4909 4.4909 4.9861 4.9861 5.0593 5.0593 7.4328 7.4328 7.4716 7.4716 8.9883 8.9883 9.2111 9.2111 k = 0.3333 0.5774 0.1811 ( 22320 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7495 -21.7495 -21.7427 -21.7427 -8.4652 -8.4652 -8.4469 -8.4469 -6.5329 -6.5329 -6.4991 -6.4991 -6.4731 -6.4731 -6.4095 -6.4095 -1.8867 -1.8867 -1.8349 -1.8349 3.7790 3.7790 3.8692 3.8692 4.0480 4.0480 4.4451 4.4451 4.9870 4.9870 5.0590 5.0590 7.4008 7.4008 7.4415 7.4415 9.0380 9.0380 9.2924 9.2924 k = 0.3333 0.5774 0.1962 ( 22317 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7489 -21.7489 -21.7432 -21.7432 -8.4641 -8.4641 -8.4477 -8.4477 -6.5304 -6.5304 -6.4927 -6.4927 -6.4757 -6.4757 -6.4167 -6.4167 -1.8865 -1.8865 -1.8346 -1.8346 3.8183 3.8183 3.8699 3.8699 4.0497 4.0497 4.3985 4.3985 4.9879 4.9879 5.0587 5.0587 7.3731 7.3731 7.4156 7.4156 9.0912 9.0912 9.3712 9.3712 k = 0.3333 0.5774 0.2113 ( 22353 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7484 -21.7484 -21.7438 -21.7438 -8.4630 -8.4630 -8.4486 -8.4486 -6.5281 -6.5281 -6.4860 -6.4860 -6.4781 -6.4781 -6.4241 -6.4241 -1.8864 -1.8864 -1.8343 -1.8343 3.8576 3.8576 3.8705 3.8705 4.0517 4.0517 4.3524 4.3524 4.9887 4.9887 5.0585 5.0585 7.3500 7.3500 7.3941 7.3941 9.1477 9.1477 9.4457 9.4457 k = 0.3333 0.5774 0.2264 ( 22356 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7478 -21.7478 -21.7444 -21.7444 -8.4621 -8.4621 -8.4494 -8.4494 -6.5260 -6.5260 -6.4803 -6.4803 -6.4790 -6.4790 -6.4316 -6.4316 -1.8863 -1.8863 -1.8340 -1.8340 3.8709 3.8709 3.8951 3.8951 4.0544 4.0544 4.3084 4.3084 4.9894 4.9894 5.0583 5.0583 7.3318 7.3318 7.3772 7.3772 9.2071 9.2071 9.5131 9.5131 k = 0.3333 0.5774 0.2415 ( 22317 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7473 -21.7473 -21.7449 -21.7449 -8.4613 -8.4613 -8.4500 -8.4500 -6.5244 -6.5244 -6.4820 -6.4820 -6.4720 -6.4720 -6.4390 -6.4390 -1.8862 -1.8862 -1.8338 -1.8338 3.8713 3.8713 3.9278 3.9278 4.0580 4.0580 4.2693 4.2693 4.9899 4.9899 5.0582 5.0582 7.3187 7.3187 7.3651 7.3651 9.2686 9.2686 9.5180 9.5180 k = 0.3333 0.5774 0.2566 ( 22308 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7467 -21.7467 -21.7455 -21.7455 -8.4607 -8.4607 -8.4505 -8.4505 -6.5233 -6.5233 -6.4831 -6.4831 -6.4654 -6.4654 -6.4458 -6.4458 -1.8862 -1.8862 -1.8337 -1.8337 3.8715 3.8715 3.9508 3.9508 4.0624 4.0624 4.2402 4.2402 4.9902 4.9902 5.0581 5.0581 7.3107 7.3107 7.3578 7.3578 9.3314 9.3314 9.4587 9.4587 k = 0.3333 0.5774 0.2717 ( 22302 PWs) bands (ev): -40.2125 -40.2125 -40.2125 -40.2125 -21.7461 -21.7461 -21.7461 -21.7461 -8.4605 -8.4605 -8.4507 -8.4507 -6.5229 -6.5229 -6.4835 -6.4835 -6.4617 -6.4617 -6.4497 -6.4497 -1.8861 -1.8861 -1.8337 -1.8337 3.8716 3.8716 3.9592 3.9592 4.0647 4.0647 4.2289 4.2289 4.9903 4.9903 5.0580 5.0580 7.3081 7.3081 7.3553 7.3553 9.3868 9.3868 9.4043 9.4043 Writing output data file BaLiSb.save init_run : 0.52s CPU 0.71s WALL ( 1 calls) electrons : 393.19s CPU 396.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 393.18s CPU 396.24s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.35s WALL ( 269 calls) cegterg : 357.86s CPU 359.79s WALL ( 488 calls) Called by sum_band: Called by *egterg: h_psi : 261.74s CPU 263.17s WALL ( 8214 calls) s_psi : 14.03s CPU 14.18s WALL ( 8214 calls) g_psi : 0.96s CPU 1.02s WALL ( 7457 calls) cdiaghg : 43.10s CPU 43.82s WALL ( 7726 calls) cegterg:over : 20.00s CPU 19.85s WALL ( 7457 calls) cegterg:upda : 24.92s CPU 24.94s WALL ( 7457 calls) cegterg:last : 11.02s CPU 10.96s WALL ( 1254 calls) cdiaghg:chol : 2.53s CPU 2.60s WALL ( 7726 calls) cdiaghg:inve : 1.43s CPU 1.44s WALL ( 7726 calls) cdiaghg:para : 2.50s CPU 2.60s WALL ( 15452 calls) Called by h_psi: h_psi:vloc : 230.94s CPU 232.38s WALL ( 8214 calls) h_psi:vnl : 29.76s CPU 29.75s WALL ( 8214 calls) add_vuspsi : 14.88s CPU 14.96s WALL ( 8214 calls) General routines calbec : 14.84s CPU 14.76s WALL ( 8214 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 218.16s CPU 219.61s WALL ( 653012 calls) davcio : 0.28s CPU 0.67s WALL ( 538 calls) Parallel routines fft_scatter : 57.94s CPU 58.05s WALL ( 653027 calls) PWSCF : 7m10.56s CPU 7m26.56s WALL This run was terminated on: 14:12:26 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=