Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 9:45 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: ./BaZnGe.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 24 7 2407 1252 195 Max 38 25 8 2418 1283 204 Sum 1345 871 253 86761 45647 7135 bravais-lattice index = 14 lattice parameter (alat) = 8.4225 a.u. unit-cell volume = 1120.8944 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.422509 celldm(2)= 1.000000 celldm(3)= 2.166255 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.166255 ) 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 0.461626 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Zn 12.00 65.40900 Zn( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.0831277 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0831277 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0035211 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0035211 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0035211 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0035211 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0035211 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0035211 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0035211 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0035211 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0035211 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0035211 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0035211 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0035211 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0035211 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0035211 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0035211 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0035211 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0035211 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0035211 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0035211 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0035211 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0035211 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0035211 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0035211 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0035211 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0035211 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0035211 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0035211 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0035211 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0035211 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0035211 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0035211 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0035211 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0035211 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0035211 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0035211 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0035211 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0035211 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0035211 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0035211 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0035211 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035211 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0035211 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0035211 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0035211 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0035211 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0035211 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0035211 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0035211 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0035211 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0035211 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0035211 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0035211 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0035211 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0035211 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0035211 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0035211 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0035211 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0035211 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0035211 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0035211 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0035211 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0035211 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0035211 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0035211 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0035211 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0035211 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0035211 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0035211 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0035211 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0035211 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0035211 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0035211 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0035211 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0035211 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0035211 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0035211 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0035211 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0035211 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0035211 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0035211 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0035211 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0035211 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0035211 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0035211 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0035211 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0035211 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0035211 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0035211 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0035211 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0035211 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0035211 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0035211 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0035211 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0035211 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0035211 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0035211 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0035211 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 117) = ( 0.0000000 0.0000000 0.0135772), wk = 0.0035211 k( 118) = ( 0.0000000 0.0000000 0.0271545), wk = 0.0035211 k( 119) = ( 0.0000000 0.0000000 0.0407317), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.0543090), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.0678862), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.0814634), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.0950407), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.1086179), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.1221951), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.1357724), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.1493496), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.1629269), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.1765041), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.1900813), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.2036586), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.2172358), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.2308131), wk = 0.0035211 k( 134) = ( 0.0000000 0.0000000 0.2308131), wk = 0.0035211 k( 135) = ( 0.0121951 0.0070409 0.2308131), wk = 0.0035211 k( 136) = ( 0.0243902 0.0140817 0.2308131), wk = 0.0035211 k( 137) = ( 0.0365854 0.0211226 0.2308131), wk = 0.0035211 k( 138) = ( 0.0487805 0.0281634 0.2308131), wk = 0.0035211 k( 139) = ( 0.0609756 0.0352043 0.2308131), wk = 0.0035211 k( 140) = ( 0.0731707 0.0422451 0.2308131), wk = 0.0035211 k( 141) = ( 0.0853658 0.0492860 0.2308131), wk = 0.0035211 k( 142) = ( 0.0975610 0.0563269 0.2308131), wk = 0.0035211 k( 143) = ( 0.1097561 0.0633677 0.2308131), wk = 0.0035211 k( 144) = ( 0.1219512 0.0704086 0.2308131), wk = 0.0035211 k( 145) = ( 0.1341463 0.0774494 0.2308131), wk = 0.0035211 k( 146) = ( 0.1463415 0.0844903 0.2308131), wk = 0.0035211 k( 147) = ( 0.1585366 0.0915311 0.2308131), wk = 0.0035211 k( 148) = ( 0.1707317 0.0985720 0.2308131), wk = 0.0035211 k( 149) = ( 0.1829268 0.1056129 0.2308131), wk = 0.0035211 k( 150) = ( 0.1951219 0.1126537 0.2308131), wk = 0.0035211 k( 151) = ( 0.2073171 0.1196946 0.2308131), wk = 0.0035211 k( 152) = ( 0.2195122 0.1267354 0.2308131), wk = 0.0035211 k( 153) = ( 0.2317073 0.1337763 0.2308131), wk = 0.0035211 k( 154) = ( 0.2439024 0.1408171 0.2308131), wk = 0.0035211 k( 155) = ( 0.2560976 0.1478580 0.2308131), wk = 0.0035211 k( 156) = ( 0.2682927 0.1548989 0.2308131), wk = 0.0035211 k( 157) = ( 0.2804878 0.1619397 0.2308131), wk = 0.0035211 k( 158) = ( 0.2926829 0.1689806 0.2308131), wk = 0.0035211 k( 159) = ( 0.3048781 0.1760214 0.2308131), wk = 0.0035211 k( 160) = ( 0.3170732 0.1830623 0.2308131), wk = 0.0035211 k( 161) = ( 0.3292683 0.1901031 0.2308131), wk = 0.0035211 k( 162) = ( 0.3414634 0.1971440 0.2308131), wk = 0.0035211 k( 163) = ( 0.3536585 0.2041849 0.2308131), wk = 0.0035211 k( 164) = ( 0.3658537 0.2112257 0.2308131), wk = 0.0035211 k( 165) = ( 0.3780488 0.2182666 0.2308131), wk = 0.0035211 k( 166) = ( 0.3902439 0.2253074 0.2308131), wk = 0.0035211 k( 167) = ( 0.4024390 0.2323483 0.2308131), wk = 0.0035211 k( 168) = ( 0.4146341 0.2393891 0.2308131), wk = 0.0035211 k( 169) = ( 0.4268293 0.2464300 0.2308131), wk = 0.0035211 k( 170) = ( 0.4390244 0.2534708 0.2308131), wk = 0.0035211 k( 171) = ( 0.4512195 0.2605117 0.2308131), wk = 0.0035211 k( 172) = ( 0.4634146 0.2675526 0.2308131), wk = 0.0035211 k( 173) = ( 0.4756098 0.2745934 0.2308131), wk = 0.0035211 k( 174) = ( 0.4878049 0.2816343 0.2308131), wk = 0.0035211 k( 175) = ( 0.5000000 0.2886751 0.2308131), wk = 0.0035211 k( 176) = ( 0.5000000 0.2886751 0.2308131), wk = 0.0035211 k( 177) = ( 0.4930556 0.3007033 0.2308131), wk = 0.0035211 k( 178) = ( 0.4861111 0.3127314 0.2308131), wk = 0.0035211 k( 179) = ( 0.4791667 0.3247595 0.2308131), wk = 0.0035211 k( 180) = ( 0.4722222 0.3367877 0.2308131), wk = 0.0035211 k( 181) = ( 0.4652778 0.3488158 0.2308131), wk = 0.0035211 k( 182) = ( 0.4583333 0.3608439 0.2308131), wk = 0.0035211 k( 183) = ( 0.4513889 0.3728720 0.2308131), wk = 0.0035211 k( 184) = ( 0.4444444 0.3849002 0.2308131), wk = 0.0035211 k( 185) = ( 0.4375000 0.3969283 0.2308131), wk = 0.0035211 k( 186) = ( 0.4305556 0.4089564 0.2308131), wk = 0.0035211 k( 187) = ( 0.4236111 0.4209846 0.2308131), wk = 0.0035211 k( 188) = ( 0.4166667 0.4330127 0.2308131), wk = 0.0035211 k( 189) = ( 0.4097222 0.4450408 0.2308131), wk = 0.0035211 k( 190) = ( 0.4027778 0.4570690 0.2308131), wk = 0.0035211 k( 191) = ( 0.3958333 0.4690971 0.2308131), wk = 0.0035211 k( 192) = ( 0.3888889 0.4811252 0.2308131), wk = 0.0035211 k( 193) = ( 0.3819444 0.4931534 0.2308131), wk = 0.0035211 k( 194) = ( 0.3750000 0.5051815 0.2308131), wk = 0.0035211 k( 195) = ( 0.3680556 0.5172096 0.2308131), wk = 0.0035211 k( 196) = ( 0.3611111 0.5292377 0.2308131), wk = 0.0035211 k( 197) = ( 0.3541667 0.5412659 0.2308131), wk = 0.0035211 k( 198) = ( 0.3472222 0.5532940 0.2308131), wk = 0.0035211 k( 199) = ( 0.3402778 0.5653221 0.2308131), wk = 0.0035211 k( 200) = ( 0.3333333 0.5773503 0.2308131), wk = 0.0035211 k( 201) = ( 0.3333333 0.5773503 0.2308131), wk = 0.0035211 k( 202) = ( 0.3262411 0.5650662 0.2308131), wk = 0.0035211 k( 203) = ( 0.3191489 0.5527822 0.2308131), wk = 0.0035211 k( 204) = ( 0.3120567 0.5404981 0.2308131), wk = 0.0035211 k( 205) = ( 0.3049645 0.5282141 0.2308131), wk = 0.0035211 k( 206) = ( 0.2978723 0.5159300 0.2308131), wk = 0.0035211 k( 207) = ( 0.2907801 0.5036460 0.2308131), wk = 0.0035211 k( 208) = ( 0.2836879 0.4913619 0.2308131), wk = 0.0035211 k( 209) = ( 0.2765957 0.4790779 0.2308131), wk = 0.0035211 k( 210) = ( 0.2695035 0.4667938 0.2308131), wk = 0.0035211 k( 211) = ( 0.2624113 0.4545098 0.2308131), wk = 0.0035211 k( 212) = ( 0.2553191 0.4422257 0.2308131), wk = 0.0035211 k( 213) = ( 0.2482270 0.4299417 0.2308131), wk = 0.0035211 k( 214) = ( 0.2411348 0.4176576 0.2308131), wk = 0.0035211 k( 215) = ( 0.2340425 0.4053736 0.2308131), wk = 0.0035211 k( 216) = ( 0.2269503 0.3930895 0.2308131), wk = 0.0035211 k( 217) = ( 0.2198582 0.3808055 0.2308131), wk = 0.0035211 k( 218) = ( 0.2127660 0.3685215 0.2308131), wk = 0.0035211 k( 219) = ( 0.2056738 0.3562374 0.2308131), wk = 0.0035211 k( 220) = ( 0.1985816 0.3439534 0.2308131), wk = 0.0035211 k( 221) = ( 0.1914894 0.3316693 0.2308131), wk = 0.0035211 k( 222) = ( 0.1843972 0.3193852 0.2308131), wk = 0.0035211 k( 223) = ( 0.1773050 0.3071012 0.2308131), wk = 0.0035211 k( 224) = ( 0.1702128 0.2948172 0.2308131), wk = 0.0035211 k( 225) = ( 0.1631206 0.2825331 0.2308131), wk = 0.0035211 k( 226) = ( 0.1560284 0.2702491 0.2308131), wk = 0.0035211 k( 227) = ( 0.1489362 0.2579650 0.2308131), wk = 0.0035211 k( 228) = ( 0.1418440 0.2456810 0.2308131), wk = 0.0035211 k( 229) = ( 0.1347518 0.2333969 0.2308131), wk = 0.0035211 k( 230) = ( 0.1276596 0.2211129 0.2308131), wk = 0.0035211 k( 231) = ( 0.1205674 0.2088288 0.2308131), wk = 0.0035211 k( 232) = ( 0.1134752 0.1965448 0.2308131), wk = 0.0035211 k( 233) = ( 0.1063830 0.1842607 0.2308131), wk = 0.0035211 k( 234) = ( 0.0992908 0.1719767 0.2308131), wk = 0.0035211 k( 235) = ( 0.0921986 0.1596926 0.2308131), wk = 0.0035211 k( 236) = ( 0.0851064 0.1474086 0.2308131), wk = 0.0035211 k( 237) = ( 0.0780142 0.1351245 0.2308131), wk = 0.0035211 k( 238) = ( 0.0709220 0.1228405 0.2308131), wk = 0.0035211 k( 239) = ( 0.0638298 0.1105564 0.2308131), wk = 0.0035211 k( 240) = ( 0.0567376 0.0982724 0.2308131), wk = 0.0035211 k( 241) = ( 0.0496454 0.0859883 0.2308131), wk = 0.0035211 k( 242) = ( 0.0425532 0.0737043 0.2308131), wk = 0.0035211 k( 243) = ( 0.0354610 0.0614202 0.2308131), wk = 0.0035211 k( 244) = ( 0.0283688 0.0491362 0.2308131), wk = 0.0035211 k( 245) = ( 0.0212766 0.0368522 0.2308131), wk = 0.0035211 k( 246) = ( 0.0141844 0.0245681 0.2308131), wk = 0.0035211 k( 247) = ( 0.0070922 0.0122841 0.2308131), wk = 0.0035211 k( 248) = ( 0.0000000 0.0000000 0.2308131), wk = 0.0035211 k( 249) = ( 0.5000000 0.2886751 0.2308131), wk = 0.0035211 k( 250) = ( 0.5000000 0.2886751 0.2172358), wk = 0.0035211 k( 251) = ( 0.5000000 0.2886751 0.2036586), wk = 0.0035211 k( 252) = ( 0.5000000 0.2886751 0.1900813), wk = 0.0035211 k( 253) = ( 0.5000000 0.2886751 0.1765041), wk = 0.0035211 k( 254) = ( 0.5000000 0.2886751 0.1629269), wk = 0.0035211 k( 255) = ( 0.5000000 0.2886751 0.1493496), wk = 0.0035211 k( 256) = ( 0.5000000 0.2886751 0.1357724), wk = 0.0035211 k( 257) = ( 0.5000000 0.2886751 0.1221951), wk = 0.0035211 k( 258) = ( 0.5000000 0.2886751 0.1086179), wk = 0.0035211 k( 259) = ( 0.5000000 0.2886751 0.0950407), wk = 0.0035211 k( 260) = ( 0.5000000 0.2886751 0.0814634), wk = 0.0035211 k( 261) = ( 0.5000000 0.2886751 0.0678862), wk = 0.0035211 k( 262) = ( 0.5000000 0.2886751 0.0543090), wk = 0.0035211 k( 263) = ( 0.5000000 0.2886751 0.0407317), wk = 0.0035211 k( 264) = ( 0.5000000 0.2886751 0.0271545), wk = 0.0035211 k( 265) = ( 0.5000000 0.2886751 0.0135772), wk = 0.0035211 k( 266) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035211 k( 267) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035211 k( 268) = ( 0.3333333 0.5773503 0.0135772), wk = 0.0035211 k( 269) = ( 0.3333333 0.5773503 0.0271545), wk = 0.0035211 k( 270) = ( 0.3333333 0.5773503 0.0407317), wk = 0.0035211 k( 271) = ( 0.3333333 0.5773503 0.0543090), wk = 0.0035211 k( 272) = ( 0.3333333 0.5773503 0.0678862), wk = 0.0035211 k( 273) = ( 0.3333333 0.5773503 0.0814634), wk = 0.0035211 k( 274) = ( 0.3333333 0.5773503 0.0950407), wk = 0.0035211 k( 275) = ( 0.3333333 0.5773503 0.1086179), wk = 0.0035211 k( 276) = ( 0.3333333 0.5773503 0.1221951), wk = 0.0035211 k( 277) = ( 0.3333333 0.5773503 0.1357724), wk = 0.0035211 k( 278) = ( 0.3333333 0.5773503 0.1493496), wk = 0.0035211 k( 279) = ( 0.3333333 0.5773503 0.1629269), wk = 0.0035211 k( 280) = ( 0.3333333 0.5773503 0.1765041), wk = 0.0035211 k( 281) = ( 0.3333333 0.5773503 0.1900813), wk = 0.0035211 k( 282) = ( 0.3333333 0.5773503 0.2036586), wk = 0.0035211 k( 283) = ( 0.3333333 0.5773503 0.2172358), wk = 0.0035211 k( 284) = ( 0.3333333 0.5773503 0.2308131), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0035211 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0035211 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0035211 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0035211 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0035211 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0035211 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0035211 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0035211 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0035211 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0035211 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0035211 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0035211 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0035211 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0035211 k( 16) = ( 0.1829268 -0.0000000 -0.0000000), wk = 0.0035211 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0035211 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0035211 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0035211 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0035211 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0035211 k( 22) = ( 0.2560976 0.0000000 -0.0000000), wk = 0.0035211 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0035211 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0035211 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0035211 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0035211 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0035211 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0035211 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0035211 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0035211 k( 31) = ( 0.3658537 -0.0000000 -0.0000000), wk = 0.0035211 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0035211 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0035211 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0035211 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0035211 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0035211 k( 37) = ( 0.4390244 0.0000000 -0.0000000), wk = 0.0035211 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0035211 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0035211 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0035211 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0035211 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035211 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035211 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0035211 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0035211 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0035211 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0035211 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0035211 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0035211 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0035211 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0035211 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0035211 k( 53) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0035211 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0035211 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0035211 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0035211 k( 57) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0035211 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0035211 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0035211 k( 60) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0035211 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0035211 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0035211 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0035211 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0035211 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0035211 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0035211 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035211 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035211 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0035211 k( 70) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0035211 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0035211 k( 72) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0035211 k( 73) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0035211 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0035211 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0035211 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0035211 k( 77) = ( 0.2695035 0.2695035 -0.0000000), wk = 0.0035211 k( 78) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0035211 k( 79) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0035211 k( 80) = ( 0.2482270 0.2482270 -0.0000000), wk = 0.0035211 k( 81) = ( 0.2411348 0.2411347 -0.0000000), wk = 0.0035211 k( 82) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0035211 k( 83) = ( 0.2269503 0.2269503 -0.0000000), wk = 0.0035211 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0035211 k( 85) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0035211 k( 86) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0035211 k( 87) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0035211 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0035211 k( 89) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0035211 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0035211 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0035211 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0035211 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0035211 k( 94) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0035211 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0035211 k( 96) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0035211 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0035211 k( 98) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0035211 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0035211 k( 100) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0035211 k( 101) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0035211 k( 102) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0035211 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0035211 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0035211 k( 105) = ( 0.0709220 0.0709220 -0.0000000), wk = 0.0035211 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0035211 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0035211 k( 108) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0035211 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0035211 k( 110) = ( 0.0354610 0.0354610 -0.0000000), wk = 0.0035211 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0035211 k( 112) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0035211 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0035211 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0035211 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 117) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0035211 k( 118) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0035211 k( 119) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0035211 k( 120) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0035211 k( 121) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0035211 k( 122) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0035211 k( 123) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0035211 k( 124) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0035211 k( 125) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0035211 k( 126) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0035211 k( 127) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0035211 k( 128) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0035211 k( 131) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0035211 k( 132) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0035211 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 135) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0035211 k( 136) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0035211 k( 137) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0035211 k( 138) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0035211 k( 139) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0035211 k( 140) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0035211 k( 141) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0035211 k( 142) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0035211 k( 143) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0035211 k( 144) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0035211 k( 145) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0035211 k( 146) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0035211 k( 147) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0035211 k( 148) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0035211 k( 149) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0035211 k( 150) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0035211 k( 151) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0035211 k( 152) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0035211 k( 153) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0035211 k( 154) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0035211 k( 155) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0035211 k( 156) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0035211 k( 157) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0035211 k( 158) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0035211 k( 159) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0035211 k( 160) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0035211 k( 161) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0035211 k( 162) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0035211 k( 163) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0035211 k( 164) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0035211 k( 165) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0035211 k( 166) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0035211 k( 167) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0035211 k( 168) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0035211 k( 169) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0035211 k( 170) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0035211 k( 171) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0035211 k( 172) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0035211 k( 173) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0035211 k( 174) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0035211 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 177) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0035211 k( 178) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0035211 k( 179) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0035211 k( 180) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0035211 k( 181) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0035211 k( 182) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0035211 k( 183) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0035211 k( 184) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0035211 k( 185) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0035211 k( 186) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0035211 k( 187) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0035211 k( 188) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035211 k( 189) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0035211 k( 190) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0035211 k( 191) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0035211 k( 192) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0035211 k( 193) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0035211 k( 194) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0035211 k( 195) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0035211 k( 196) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0035211 k( 197) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0035211 k( 198) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0035211 k( 199) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0035211 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 k( 202) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0035211 k( 203) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0035211 k( 204) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0035211 k( 205) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0035211 k( 206) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0035211 k( 207) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0035211 k( 208) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0035211 k( 209) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0035211 k( 210) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0035211 k( 211) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0035211 k( 212) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0035211 k( 213) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0035211 k( 214) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0035211 k( 215) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0035211 k( 216) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0035211 k( 217) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0035211 k( 218) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0035211 k( 219) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0035211 k( 220) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0035211 k( 221) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0035211 k( 222) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0035211 k( 223) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0035211 k( 224) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0035211 k( 225) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0035211 k( 226) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0035211 k( 227) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0035211 k( 228) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0035211 k( 229) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0035211 k( 230) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0035211 k( 231) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0035211 k( 232) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0035211 k( 233) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0035211 k( 234) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0035211 k( 235) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0035211 k( 236) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0035211 k( 237) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0035211 k( 238) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0035211 k( 239) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0035211 k( 240) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0035211 k( 241) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0035211 k( 242) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0035211 k( 243) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0035211 k( 244) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0035211 k( 245) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0035211 k( 246) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0035211 k( 247) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0035211 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035211 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 250) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0035211 k( 251) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0035211 k( 252) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0035211 k( 253) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0035211 k( 254) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0035211 k( 255) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0035211 k( 256) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0035211 k( 257) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0035211 k( 258) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0035211 k( 259) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0035211 k( 260) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0035211 k( 261) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0035211 k( 262) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0035211 k( 263) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0035211 k( 264) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0035211 k( 265) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0035211 k( 266) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035211 k( 267) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035211 k( 268) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0035211 k( 269) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0035211 k( 270) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0035211 k( 271) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0035211 k( 272) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0035211 k( 273) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0035211 k( 274) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0035211 k( 275) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0035211 k( 276) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0035211 k( 277) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0035211 k( 278) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0035211 k( 279) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0035211 k( 280) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0035211 k( 281) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0035211 k( 282) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0035211 k( 283) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0035211 k( 284) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035211 Dense grid: 86761 G-vectors FFT dimensions: ( 45, 45, 100) Smooth grid: 45647 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 350, 62) NL pseudopotentials 0.44 Mb ( 175, 166) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2416) G-vector shells 0.01 Mb ( 1175) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.32 Mb ( 350, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 166, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaZnGe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.0 secs Computing kpt #: 6 total cpu time spent up to now is 6.7 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.3 secs Computing kpt #: 9 total cpu time spent up to now is 9.0 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.6 secs Computing kpt #: 15 total cpu time spent up to now is 13.3 secs Computing kpt #: 16 total cpu time spent up to now is 14.1 secs Computing kpt #: 17 total cpu time spent up to now is 14.9 secs Computing kpt #: 18 total cpu time spent up to now is 15.7 secs Computing kpt #: 19 total cpu time spent up to now is 16.5 secs Computing kpt #: 20 total cpu time spent up to now is 17.3 secs Computing kpt #: 21 total cpu time spent up to now is 18.1 secs Computing kpt #: 22 total cpu time spent up to now is 19.0 secs Computing kpt #: 23 total cpu time spent up to now is 19.7 secs Computing kpt #: 24 total cpu time spent up to now is 20.4 secs Computing kpt #: 25 total cpu time spent up to now is 21.0 secs Computing kpt #: 26 total cpu time spent up to now is 21.7 secs Computing kpt #: 27 total cpu time spent up to now is 22.3 secs Computing kpt #: 28 total cpu time spent up to now is 22.9 secs Computing kpt #: 29 total cpu time spent up to now is 23.5 secs Computing kpt #: 30 total cpu time spent up to now is 24.1 secs Computing kpt #: 31 total cpu time spent up to now is 24.8 secs Computing kpt #: 32 total cpu time spent up to now is 25.4 secs Computing kpt #: 33 total cpu time spent up to now is 26.0 secs Computing kpt #: 34 total cpu time spent up to now is 26.6 secs Computing kpt #: 35 total cpu time spent up to now is 27.2 secs Computing kpt #: 36 total cpu time spent up to now is 27.9 secs Computing kpt #: 37 total cpu time spent up to now is 28.4 secs Computing kpt #: 38 total cpu time spent up to now is 29.0 secs Computing kpt #: 39 total cpu time spent up to now is 29.7 secs Computing kpt #: 40 total cpu time spent up to now is 30.3 secs Computing kpt #: 41 total cpu time spent up to now is 30.9 secs Computing kpt #: 42 total cpu time spent up to now is 31.5 secs Computing kpt #: 43 total cpu time spent up to now is 32.0 secs Computing kpt #: 44 total cpu time spent up to now is 32.6 secs Computing kpt #: 45 total cpu time spent up to now is 33.2 secs Computing kpt #: 46 total cpu time spent up to now is 33.8 secs Computing kpt #: 47 total cpu time spent up to now is 34.4 secs Computing kpt #: 48 total cpu time spent up to now is 35.0 secs Computing kpt #: 49 total cpu time spent up to now is 35.6 secs Computing kpt #: 50 total cpu time spent up to now is 36.2 secs Computing kpt #: 51 total cpu time spent up to now is 36.8 secs Computing kpt #: 52 total cpu time spent up to now is 37.4 secs Computing kpt #: 53 total cpu time spent up to now is 38.0 secs Computing kpt #: 54 total cpu time spent up to now is 38.8 secs Computing kpt #: 55 total cpu time spent up to now is 39.5 secs Computing kpt #: 56 total cpu time spent up to now is 40.3 secs Computing kpt #: 57 total cpu time spent up to now is 41.1 secs Computing kpt #: 58 total cpu time spent up to now is 41.8 secs Computing kpt #: 59 total cpu time spent up to now is 42.6 secs Computing kpt #: 60 total cpu time spent up to now is 43.3 secs Computing kpt #: 61 total cpu time spent up to now is 44.1 secs Computing kpt #: 62 total cpu time spent up to now is 44.9 secs Computing kpt #: 63 total cpu time spent up to now is 45.6 secs Computing kpt #: 64 total cpu time spent up to now is 46.4 secs Computing kpt #: 65 total cpu time spent up to now is 47.1 secs Computing kpt #: 66 total cpu time spent up to now is 47.9 secs Computing kpt #: 67 total cpu time spent up to now is 48.7 secs Computing kpt #: 68 total cpu time spent up to now is 49.4 secs Computing kpt #: 69 total cpu time spent up to now is 50.1 secs Computing kpt #: 70 total cpu time spent up to now is 50.9 secs Computing kpt #: 71 total cpu time spent up to now is 51.7 secs Computing kpt #: 72 total cpu time spent up to now is 52.4 secs Computing kpt #: 73 total cpu time spent up to now is 53.1 secs Computing kpt #: 74 total cpu time spent up to now is 53.7 secs Computing kpt #: 75 total cpu time spent up to now is 54.3 secs Computing kpt #: 76 total cpu time spent up to now is 54.9 secs Computing kpt #: 77 total cpu time spent up to now is 55.5 secs Computing kpt #: 78 total cpu time spent up to now is 56.2 secs Computing kpt #: 79 total cpu time spent up to now is 56.8 secs Computing kpt #: 80 total cpu time spent up to now is 57.4 secs Computing kpt #: 81 total cpu time spent up to now is 58.0 secs Computing kpt #: 82 total cpu time spent up to now is 58.6 secs Computing kpt #: 83 total cpu time spent up to now is 59.2 secs Computing kpt #: 84 total cpu time spent up to now is 59.8 secs Computing kpt #: 85 total cpu time spent up to now is 60.4 secs Computing kpt #: 86 total cpu time spent up to now is 61.0 secs Computing kpt #: 87 total cpu time spent up to now is 61.6 secs Computing kpt #: 88 total cpu time spent up to now is 62.3 secs Computing kpt #: 89 total cpu time spent up to now is 62.9 secs Computing kpt #: 90 total cpu time spent up to now is 63.5 secs Computing kpt #: 91 total cpu time spent up to now is 64.1 secs Computing kpt #: 92 total cpu time spent up to now is 64.8 secs Computing kpt #: 93 total cpu time spent up to now is 65.4 secs Computing kpt #: 94 total cpu time spent up to now is 66.1 secs Computing kpt #: 95 total cpu time spent up to now is 66.8 secs Computing kpt #: 96 total cpu time spent up to now is 67.5 secs Computing kpt #: 97 total cpu time spent up to now is 68.3 secs Computing kpt #: 98 total cpu time spent up to now is 69.1 secs Computing kpt #: 99 total cpu time spent up to now is 69.8 secs Computing kpt #: 100 total cpu time spent up to now is 70.5 secs Computing kpt #: 101 total cpu time spent up to now is 71.3 secs Computing kpt #: 102 total cpu time spent up to now is 72.1 secs Computing kpt #: 103 total cpu time spent up to now is 72.8 secs Computing kpt #: 104 total cpu time spent up to now is 73.5 secs Computing kpt #: 105 total cpu time spent up to now is 74.2 secs Computing kpt #: 106 total cpu time spent up to now is 74.9 secs Computing kpt #: 107 total cpu time spent up to now is 75.6 secs Computing kpt #: 108 total cpu time spent up to now is 76.3 secs Computing kpt #: 109 total cpu time spent up to now is 77.0 secs Computing kpt #: 110 total cpu time spent up to now is 77.7 secs Computing kpt #: 111 total cpu time spent up to now is 78.4 secs Computing kpt #: 112 total cpu time spent up to now is 79.1 secs Computing kpt #: 113 total cpu time spent up to now is 79.8 secs Computing kpt #: 114 total cpu time spent up to now is 80.5 secs Computing kpt #: 115 total cpu time spent up to now is 81.3 secs Computing kpt #: 116 total cpu time spent up to now is 82.0 secs Computing kpt #: 117 total cpu time spent up to now is 82.7 secs Computing kpt #: 118 total cpu time spent up to now is 83.4 secs Computing kpt #: 119 total cpu time spent up to now is 84.1 secs Computing kpt #: 120 total cpu time spent up to now is 84.7 secs Computing kpt #: 121 total cpu time spent up to now is 85.3 secs Computing kpt #: 122 total cpu time spent up to now is 86.0 secs Computing kpt #: 123 total cpu time spent up to now is 86.6 secs Computing kpt #: 124 total cpu time spent up to now is 87.2 secs Computing kpt #: 125 total cpu time spent up to now is 87.9 secs Computing kpt #: 126 total cpu time spent up to now is 88.6 secs Computing kpt #: 127 total cpu time spent up to now is 89.3 secs Computing kpt #: 128 total cpu time spent up to now is 90.0 secs Computing kpt #: 129 total cpu time spent up to now is 90.7 secs Computing kpt #: 130 total cpu time spent up to now is 91.4 secs Computing kpt #: 131 total cpu time spent up to now is 92.1 secs Computing kpt #: 132 total cpu time spent up to now is 92.8 secs Computing kpt #: 133 total cpu time spent up to now is 93.5 secs Computing kpt #: 134 total cpu time spent up to now is 94.2 secs Computing kpt #: 135 total cpu time spent up to now is 94.8 secs Computing kpt #: 136 total cpu time spent up to now is 95.5 secs Computing kpt #: 137 total cpu time spent up to now is 96.2 secs Computing kpt #: 138 total cpu time spent up to now is 96.9 secs Computing kpt #: 139 total cpu time spent up to now is 97.6 secs Computing kpt #: 140 total cpu time spent up to now is 98.3 secs Computing kpt #: 141 total cpu time spent up to now is 99.0 secs Computing kpt #: 142 total cpu time spent up to now is 99.6 secs Computing kpt #: 143 total cpu time spent up to now is 100.3 secs Computing kpt #: 144 total cpu time spent up to now is 100.9 secs Computing kpt #: 145 total cpu time spent up to now is 101.6 secs Computing kpt #: 146 total cpu time spent up to now is 102.3 secs Computing kpt #: 147 total cpu time spent up to now is 103.0 secs Computing kpt #: 148 total cpu time spent up to now is 103.7 secs Computing kpt #: 149 total cpu time spent up to now is 104.4 secs Computing kpt #: 150 total cpu time spent up to now is 105.1 secs Computing kpt #: 151 total cpu time spent up to now is 105.8 secs Computing kpt #: 152 total cpu time spent up to now is 106.5 secs Computing kpt #: 153 total cpu time spent up to now is 107.2 secs Computing kpt #: 154 total cpu time spent up to now is 107.9 secs Computing kpt #: 155 total cpu time spent up to now is 108.6 secs Computing kpt #: 156 total cpu time spent up to now is 109.3 secs Computing kpt #: 157 total cpu time spent up to now is 110.0 secs Computing kpt #: 158 total cpu time spent up to now is 110.7 secs Computing kpt #: 159 total cpu time spent up to now is 111.4 secs Computing kpt #: 160 total cpu time spent up to now is 112.1 secs Computing kpt #: 161 total cpu time spent up to now is 112.8 secs Computing kpt #: 162 total cpu time spent up to now is 113.6 secs Computing kpt #: 163 total cpu time spent up to now is 114.3 secs Computing kpt #: 164 total cpu time spent up to now is 115.1 secs Computing kpt #: 165 total cpu time spent up to now is 115.8 secs Computing kpt #: 166 total cpu time spent up to now is 116.6 secs Computing kpt #: 167 total cpu time spent up to now is 117.4 secs Computing kpt #: 168 total cpu time spent up to now is 118.1 secs Computing kpt #: 169 total cpu time spent up to now is 118.9 secs Computing kpt #: 170 total cpu time spent up to now is 119.6 secs Computing kpt #: 171 total cpu time spent up to now is 120.3 secs Computing kpt #: 172 total cpu time spent up to now is 121.1 secs Computing kpt #: 173 total cpu time spent up to now is 121.8 secs Computing kpt #: 174 total cpu time spent up to now is 122.5 secs Computing kpt #: 175 total cpu time spent up to now is 123.1 secs Computing kpt #: 176 total cpu time spent up to now is 123.8 secs Computing kpt #: 177 total cpu time spent up to now is 124.8 secs Computing kpt #: 178 total cpu time spent up to now is 125.8 secs Computing kpt #: 179 total cpu time spent up to now is 126.7 secs Computing kpt #: 180 total cpu time spent up to now is 127.6 secs Computing kpt #: 181 total cpu time spent up to now is 128.4 secs Computing kpt #: 182 total cpu time spent up to now is 129.3 secs Computing kpt #: 183 total cpu time spent up to now is 130.2 secs Computing kpt #: 184 total cpu time spent up to now is 131.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.4 secs Computing kpt #: 186 total cpu time spent up to now is 134.2 secs Computing kpt #: 187 total cpu time spent up to now is 135.1 secs Computing kpt #: 188 total cpu time spent up to now is 136.0 secs Computing kpt #: 189 total cpu time spent up to now is 136.9 secs Computing kpt #: 190 total cpu time spent up to now is 137.8 secs Computing kpt #: 191 total cpu time spent up to now is 138.6 secs Computing kpt #: 192 total cpu time spent up to now is 139.4 secs Computing kpt #: 193 total cpu time spent up to now is 140.2 secs Computing kpt #: 194 total cpu time spent up to now is 141.0 secs Computing kpt #: 195 total cpu time spent up to now is 141.8 secs Computing kpt #: 196 total cpu time spent up to now is 142.5 secs Computing kpt #: 197 total cpu time spent up to now is 143.3 secs Computing kpt #: 198 total cpu time spent up to now is 144.1 secs Computing kpt #: 199 total cpu time spent up to now is 144.9 secs Computing kpt #: 200 total cpu time spent up to now is 145.8 secs Computing kpt #: 201 total cpu time spent up to now is 146.6 secs Computing kpt #: 202 total cpu time spent up to now is 147.3 secs Computing kpt #: 203 total cpu time spent up to now is 148.1 secs Computing kpt #: 204 total cpu time spent up to now is 148.9 secs Computing kpt #: 205 total cpu time spent up to now is 149.6 secs Computing kpt #: 206 total cpu time spent up to now is 150.4 secs Computing kpt #: 207 total cpu time spent up to now is 151.2 secs Computing kpt #: 208 total cpu time spent up to now is 151.9 secs Computing kpt #: 209 total cpu time spent up to now is 152.7 secs Computing kpt #: 210 total cpu time spent up to now is 153.5 secs Computing kpt #: 211 total cpu time spent up to now is 154.3 secs Computing kpt #: 212 total cpu time spent up to now is 155.1 secs Computing kpt #: 213 total cpu time spent up to now is 155.8 secs Computing kpt #: 214 total cpu time spent up to now is 156.6 secs Computing kpt #: 215 total cpu time spent up to now is 157.4 secs Computing kpt #: 216 total cpu time spent up to now is 158.1 secs Computing kpt #: 217 total cpu time spent up to now is 158.9 secs Computing kpt #: 218 total cpu time spent up to now is 159.7 secs Computing kpt #: 219 total cpu time spent up to now is 160.4 secs Computing kpt #: 220 total cpu time spent up to now is 161.1 secs Computing kpt #: 221 total cpu time spent up to now is 161.9 secs Computing kpt #: 222 total cpu time spent up to now is 162.6 secs Computing kpt #: 223 total cpu time spent up to now is 163.3 secs Computing kpt #: 224 total cpu time spent up to now is 164.0 secs Computing kpt #: 225 total cpu time spent up to now is 164.7 secs Computing kpt #: 226 total cpu time spent up to now is 165.5 secs Computing kpt #: 227 total cpu time spent up to now is 166.2 secs Computing kpt #: 228 total cpu time spent up to now is 166.9 secs Computing kpt #: 229 total cpu time spent up to now is 167.6 secs Computing kpt #: 230 total cpu time spent up to now is 168.4 secs Computing kpt #: 231 total cpu time spent up to now is 169.1 secs Computing kpt #: 232 total cpu time spent up to now is 169.9 secs Computing kpt #: 233 total cpu time spent up to now is 170.6 secs Computing kpt #: 234 total cpu time spent up to now is 171.4 secs Computing kpt #: 235 total cpu time spent up to now is 172.1 secs Computing kpt #: 236 total cpu time spent up to now is 172.9 secs Computing kpt #: 237 total cpu time spent up to now is 173.6 secs Computing kpt #: 238 total cpu time spent up to now is 174.4 secs Computing kpt #: 239 total cpu time spent up to now is 175.1 secs Computing kpt #: 240 total cpu time spent up to now is 175.9 secs Computing kpt #: 241 total cpu time spent up to now is 176.6 secs Computing kpt #: 242 total cpu time spent up to now is 177.3 secs Computing kpt #: 243 total cpu time spent up to now is 178.0 secs Computing kpt #: 244 total cpu time spent up to now is 178.7 secs Computing kpt #: 245 total cpu time spent up to now is 179.4 secs Computing kpt #: 246 total cpu time spent up to now is 180.2 secs Computing kpt #: 247 total cpu time spent up to now is 181.0 secs Computing kpt #: 248 total cpu time spent up to now is 181.7 secs Computing kpt #: 249 total cpu time spent up to now is 182.4 secs Computing kpt #: 250 total cpu time spent up to now is 183.1 secs Computing kpt #: 251 total cpu time spent up to now is 183.7 secs Computing kpt #: 252 total cpu time spent up to now is 184.4 secs Computing kpt #: 253 total cpu time spent up to now is 185.0 secs Computing kpt #: 254 total cpu time spent up to now is 185.6 secs Computing kpt #: 255 total cpu time spent up to now is 186.3 secs Computing kpt #: 256 total cpu time spent up to now is 186.9 secs Computing kpt #: 257 total cpu time spent up to now is 187.6 secs Computing kpt #: 258 total cpu time spent up to now is 188.3 secs Computing kpt #: 259 total cpu time spent up to now is 189.1 secs Computing kpt #: 260 total cpu time spent up to now is 189.9 secs Computing kpt #: 261 total cpu time spent up to now is 190.6 secs Computing kpt #: 262 total cpu time spent up to now is 191.3 secs Computing kpt #: 263 total cpu time spent up to now is 191.9 secs Computing kpt #: 264 total cpu time spent up to now is 192.5 secs Computing kpt #: 265 total cpu time spent up to now is 193.0 secs Computing kpt #: 266 total cpu time spent up to now is 193.6 secs Computing kpt #: 267 total cpu time spent up to now is 194.4 secs Computing kpt #: 268 total cpu time spent up to now is 195.1 secs Computing kpt #: 269 total cpu time spent up to now is 195.9 secs Computing kpt #: 270 total cpu time spent up to now is 196.6 secs Computing kpt #: 271 total cpu time spent up to now is 197.4 secs Computing kpt #: 272 total cpu time spent up to now is 198.1 secs Computing kpt #: 273 total cpu time spent up to now is 198.8 secs Computing kpt #: 274 total cpu time spent up to now is 199.6 secs Computing kpt #: 275 total cpu time spent up to now is 200.3 secs Computing kpt #: 276 total cpu time spent up to now is 201.1 secs Computing kpt #: 277 total cpu time spent up to now is 201.8 secs Computing kpt #: 278 total cpu time spent up to now is 202.6 secs Computing kpt #: 279 total cpu time spent up to now is 203.4 secs Computing kpt #: 280 total cpu time spent up to now is 204.2 secs Computing kpt #: 281 total cpu time spent up to now is 205.0 secs Computing kpt #: 282 total cpu time spent up to now is 205.8 secs Computing kpt #: 283 total cpu time spent up to now is 206.5 secs Computing kpt #: 284 total cpu time spent up to now is 207.3 secs ethr = 1.92E-08, avg # of iterations = 21.0 total cpu time spent up to now is 207.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5661 PWs) bands (ev): -19.8969 -19.8969 -19.8896 -19.8896 -6.5585 -6.5585 -6.4765 -6.4765 -4.7554 -4.7554 -4.4942 -4.4942 -4.3863 -4.3863 -4.3662 -4.3662 -1.1651 -1.1651 -0.4113 -0.4113 0.6249 0.6249 0.6462 0.6462 0.7130 0.7130 0.7693 0.7693 0.9485 0.9485 0.9688 0.9688 1.0257 1.0257 1.0491 1.0491 1.0724 1.0724 1.1954 1.1954 4.9495 4.9495 7.5718 7.5718 7.6354 7.6354 7.7086 7.7086 8.1689 8.1689 8.3769 8.3769 8.5083 8.5083 8.5091 8.5091 8.7339 8.7339 9.8651 9.8651 9.9135 9.9135 k = 0.0122 0.0070-0.0000 ( 5661 PWs) bands (ev): -19.8968 -19.8968 -19.8895 -19.8895 -6.5586 -6.5586 -6.4767 -6.4767 -4.7553 -4.7553 -4.4943 -4.4943 -4.3869 -4.3869 -4.3667 -4.3667 -1.1636 -1.1636 -0.4113 -0.4113 0.6251 0.6251 0.6462 0.6462 0.7130 0.7130 0.7692 0.7692 0.9487 0.9487 0.9689 0.9689 1.0257 1.0257 1.0489 1.0489 1.0726 1.0726 1.1956 1.1956 4.9521 4.9521 7.5702 7.5702 7.6179 7.6179 7.6954 7.6954 8.1530 8.1530 8.3491 8.3491 8.4719 8.4719 8.5391 8.5391 8.8003 8.8003 9.8762 9.8762 9.9231 9.9231 k = 0.0244 0.0141-0.0000 ( 5671 PWs) bands (ev): -19.8967 -19.8967 -19.8894 -19.8894 -6.5588 -6.5588 -6.4772 -6.4772 -4.7551 -4.7551 -4.4947 -4.4947 -4.3886 -4.3886 -4.3680 -4.3680 -1.1589 -1.1589 -0.4112 -0.4112 0.6255 0.6255 0.6463 0.6463 0.7133 0.7133 0.7690 0.7690 0.9493 0.9493 0.9690 0.9690 1.0258 1.0258 1.0486 1.0486 1.0731 1.0731 1.1959 1.1959 4.9597 4.9597 7.5516 7.5516 7.5665 7.5665 7.6795 7.6795 8.0852 8.0852 8.3007 8.3007 8.4255 8.4255 8.6185 8.6185 8.9218 8.9218 9.9096 9.9096 9.9520 9.9520 k = 0.0366 0.0211-0.0000 ( 5681 PWs) bands (ev): -19.8964 -19.8964 -19.8892 -19.8892 -6.5592 -6.5592 -6.4782 -6.4782 -4.7548 -4.7548 -4.4953 -4.4953 -4.3915 -4.3915 -4.3703 -4.3703 -1.1512 -1.1512 -0.4110 -0.4110 0.6262 0.6262 0.6463 0.6463 0.7137 0.7137 0.7685 0.7685 0.9502 0.9502 0.9693 0.9693 1.0260 1.0260 1.0481 1.0481 1.0739 1.0739 1.1966 1.1966 4.9723 4.9723 7.4470 7.4470 7.5584 7.5584 7.6713 7.6713 7.9574 7.9574 8.2820 8.2820 8.3797 8.3797 8.7270 8.7270 9.0464 9.0464 9.9647 9.9647 10.0002 10.0002 k = 0.0488 0.0282-0.0000 ( 5697 PWs) bands (ev): -19.8961 -19.8961 -19.8889 -19.8889 -6.5596 -6.5596 -6.4795 -6.4795 -4.7543 -4.7543 -4.4962 -4.4962 -4.3954 -4.3954 -4.3735 -4.3735 -1.1405 -1.1405 -0.4107 -0.4107 0.6272 0.6272 0.6464 0.6464 0.7143 0.7143 0.7680 0.7680 0.9515 0.9515 0.9696 0.9696 1.0262 1.0262 1.0475 1.0475 1.0750 1.0750 1.1976 1.1976 4.9900 4.9900 7.3218 7.3218 7.5475 7.5475 7.6650 7.6650 7.8016 7.8016 8.2813 8.2813 8.3296 8.3296 8.8484 8.8484 9.1620 9.1620 10.0371 10.0371 10.0695 10.0695 k = 0.0610 0.0352-0.0000 ( 5693 PWs) bands (ev): -19.8957 -19.8957 -19.8885 -19.8885 -6.5603 -6.5603 -6.4811 -6.4811 -4.7536 -4.7536 -4.4974 -4.4974 -4.4003 -4.4003 -4.3776 -4.3776 -1.1268 -1.1268 -0.4103 -0.4103 0.6284 0.6284 0.6466 0.6466 0.7151 0.7151 0.7673 0.7673 0.9531 0.9531 0.9701 0.9701 1.0265 1.0265 1.0468 1.0468 1.0765 1.0765 1.1989 1.1989 5.0126 5.0126 7.1863 7.1863 7.5303 7.5303 7.6385 7.6385 7.6590 7.6590 8.2562 8.2562 8.3062 8.3062 8.9704 8.9704 9.2685 9.2685 10.1007 10.1007 10.1337 10.1337 k = 0.0732 0.0422-0.0000 ( 5693 PWs) bands (ev): -19.8952 -19.8952 -19.8880 -19.8880 -6.5610 -6.5610 -6.4831 -6.4831 -4.7529 -4.7529 -4.4991 -4.4991 -4.4061 -4.4061 -4.3824 -4.3824 -1.1102 -1.1102 -0.4099 -0.4099 0.6299 0.6299 0.6468 0.6468 0.7161 0.7161 0.7666 0.7666 0.9550 0.9550 0.9707 0.9707 1.0268 1.0268 1.0459 1.0459 1.0782 1.0782 1.2005 1.2005 5.0400 5.0400 7.0454 7.0454 7.4479 7.4479 7.5355 7.5355 7.6509 7.6509 8.1933 8.1933 8.3207 8.3207 9.0810 9.0810 9.3731 9.3731 10.0419 10.0419 10.2114 10.2114 k = 0.0854 0.0493-0.0000 ( 5693 PWs) bands (ev): -19.8946 -19.8946 -19.8874 -19.8874 -6.5619 -6.5619 -6.4855 -6.4855 -4.7520 -4.7520 -4.5012 -4.5012 -4.4125 -4.4125 -4.3880 -4.3880 -1.0909 -1.0909 -0.4093 -0.4093 0.6317 0.6317 0.6470 0.6470 0.7172 0.7172 0.7658 0.7658 0.9572 0.9572 0.9714 0.9714 1.0273 1.0273 1.0450 1.0450 1.0801 1.0801 1.2024 1.2024 5.0721 5.0721 6.9016 6.9016 7.2827 7.2827 7.5118 7.5118 7.6416 7.6416 8.1234 8.1234 8.3425 8.3425 9.1701 9.1701 9.4861 9.4861 9.9593 9.9593 10.3051 10.3051 k = 0.0976 0.0563-0.0000 ( 5691 PWs) bands (ev): -19.8940 -19.8940 -19.8868 -19.8868 -6.5630 -6.5630 -6.4882 -6.4882 -4.7510 -4.7510 -4.5039 -4.5039 -4.4194 -4.4194 -4.3943 -4.3943 -1.0688 -1.0688 -0.4085 -0.4085 0.6336 0.6336 0.6473 0.6473 0.7185 0.7185 0.7650 0.7650 0.9596 0.9596 0.9723 0.9723 1.0277 1.0277 1.0441 1.0441 1.0823 1.0823 1.2046 1.2046 5.1088 5.1088 6.7562 6.7562 7.1122 7.1122 7.4920 7.4920 7.6305 7.6305 8.0507 8.0507 8.3683 8.3683 9.2348 9.2348 9.6115 9.6115 9.8713 9.8713 10.4046 10.4046 k = 0.1098 0.0634-0.0000 ( 5685 PWs) bands (ev): -19.8932 -19.8932 -19.8861 -19.8861 -6.5642 -6.5642 -6.4913 -6.4913 -4.7499 -4.7499 -4.5074 -4.5074 -4.4265 -4.4265 -4.4013 -4.4013 -1.0442 -1.0442 -0.4076 -0.4076 0.6357 0.6357 0.6477 0.6477 0.7200 0.7200 0.7642 0.7642 0.9622 0.9622 0.9732 0.9732 1.0282 1.0282 1.0431 1.0431 1.0848 1.0848 1.2072 1.2072 5.1499 5.1499 6.6099 6.6099 6.9425 6.9425 7.4715 7.4715 7.6171 7.6171 7.9770 7.9770 8.3971 8.3971 9.2802 9.2802 9.7440 9.7440 9.7819 9.7819 10.5052 10.5052 k = 0.1220 0.0704-0.0000 ( 5693 PWs) bands (ev): -19.8924 -19.8924 -19.8853 -19.8853 -6.5656 -6.5656 -6.4946 -6.4946 -4.7487 -4.7487 -4.5118 -4.5118 -4.4336 -4.4336 -4.4088 -4.4088 -1.0171 -1.0171 -0.4065 -0.4065 0.6379 0.6379 0.6481 0.6481 0.7216 0.7216 0.7635 0.7635 0.9649 0.9649 0.9743 0.9743 1.0287 1.0287 1.0421 1.0421 1.0875 1.0875 1.2102 1.2102 5.1952 5.1952 6.4632 6.4632 6.7749 6.7749 7.4499 7.4499 7.6009 7.6009 7.9041 7.9041 8.4280 8.4280 9.3124 9.3124 9.6882 9.6882 9.8810 9.8810 10.5767 10.5767 k = 0.1341 0.0774-0.0000 ( 5689 PWs) bands (ev): -19.8915 -19.8915 -19.8844 -19.8844 -6.5670 -6.5670 -6.4982 -6.4982 -4.7474 -4.7474 -4.5174 -4.5174 -4.4403 -4.4403 -4.4169 -4.4169 -0.9878 -0.9878 -0.4052 -0.4052 0.6403 0.6403 0.6485 0.6485 0.7233 0.7233 0.7629 0.7629 0.9678 0.9678 0.9755 0.9755 1.0292 1.0292 1.0412 1.0412 1.0906 1.0906 1.2135 1.2135 5.2447 5.2447 6.3162 6.3162 6.6101 6.6101 7.4273 7.4273 7.5807 7.5807 7.8335 7.8335 8.4602 8.4602 9.3361 9.3361 9.5962 9.5962 10.0106 10.0106 10.6273 10.6273 k = 0.1463 0.0845-0.0000 ( 5695 PWs) bands (ev): -19.8906 -19.8906 -19.8835 -19.8835 -6.5687 -6.5687 -6.5022 -6.5022 -4.7461 -4.7461 -4.5242 -4.5242 -4.4464 -4.4464 -4.4253 -4.4253 -0.9563 -0.9563 -0.4037 -0.4037 0.6427 0.6427 0.6491 0.6491 0.7252 0.7252 0.7625 0.7625 0.9707 0.9707 0.9769 0.9769 1.0297 1.0297 1.0403 1.0403 1.0939 1.0939 1.2172 1.2172 5.2980 5.2980 6.1691 6.1691 6.4488 6.4488 7.4038 7.4038 7.5551 7.5551 7.7677 7.7677 8.4928 8.4928 9.3545 9.3545 9.5048 9.5048 10.1280 10.1280 10.6799 10.6799 k = 0.1585 0.0915-0.0000 ( 5703 PWs) bands (ev): -19.8896 -19.8896 -19.8826 -19.8826 -6.5705 -6.5705 -6.5064 -6.5064 -4.7447 -4.7447 -4.5324 -4.5324 -4.4518 -4.4518 -4.4341 -4.4341 -0.9228 -0.9228 -0.4019 -0.4019 0.6452 0.6452 0.6497 0.6497 0.7273 0.7273 0.7622 0.7622 0.9736 0.9736 0.9784 0.9784 1.0302 1.0302 1.0396 1.0396 1.0975 1.0975 1.2214 1.2214 5.3549 5.3549 6.0218 6.0218 6.2915 6.2915 7.3796 7.3796 7.5216 7.5216 7.7093 7.7093 8.5246 8.5246 9.3694 9.3694 9.4146 9.4146 10.2258 10.2258 10.7362 10.7362 k = 0.1707 0.0986-0.0000 ( 5709 PWs) bands (ev): -19.8885 -19.8885 -19.8816 -19.8816 -6.5724 -6.5724 -6.5108 -6.5108 -4.7433 -4.7433 -4.5418 -4.5418 -4.4563 -4.4563 -4.4431 -4.4431 -0.8876 -0.8876 -0.3998 -0.3998 0.6477 0.6477 0.6503 0.6503 0.7295 0.7295 0.7622 0.7622 0.9765 0.9765 0.9801 0.9801 1.0306 1.0306 1.0390 1.0390 1.1015 1.1015 1.2259 1.2259 5.4152 5.4152 5.8744 5.8744 6.1386 6.1386 7.3549 7.3549 7.4786 7.4786 7.6606 7.6606 8.5543 8.5543 9.3254 9.3254 9.3835 9.3835 10.2988 10.2988 10.7965 10.7965 k = 0.1829 0.1056-0.0000 ( 5705 PWs) bands (ev): -19.8875 -19.8875 -19.8805 -19.8805 -6.5745 -6.5745 -6.5154 -6.5154 -4.7420 -4.7420 -4.5524 -4.5524 -4.4601 -4.4601 -4.4523 -4.4523 -0.8508 -0.8508 -0.3975 -0.3975 0.6501 0.6501 0.6511 0.6511 0.7318 0.7318 0.7625 0.7625 0.9792 0.9792 0.9820 0.9820 1.0309 1.0309 1.0386 1.0386 1.1059 1.1059 1.2309 1.2309 5.4786 5.4786 5.7269 5.7269 5.9903 5.9903 7.3297 7.3297 7.4266 7.4266 7.6216 7.6216 8.5802 8.5802 9.2388 9.2388 9.3970 9.3970 10.3466 10.3466 10.8608 10.8608 k = 0.1951 0.1127-0.0000 ( 5701 PWs) bands (ev): -19.8863 -19.8863 -19.8794 -19.8794 -6.5767 -6.5767 -6.5203 -6.5203 -4.7407 -4.7407 -4.5639 -4.5639 -4.4635 -4.4635 -4.4612 -4.4612 -0.8126 -0.8126 -0.3947 -0.3947 0.6520 0.6520 0.6525 0.6525 0.7343 0.7343 0.7631 0.7631 0.9816 0.9816 0.9843 0.9843 1.0312 1.0312 1.0384 1.0384 1.1108 1.1108 1.2364 1.2364 5.5446 5.5446 5.5798 5.5798 5.8468 5.8468 7.3038 7.3038 7.3691 7.3691 7.5897 7.5897 8.6007 8.6007 9.1542 9.1542 9.4123 9.4123 10.3746 10.3746 10.9289 10.9289 k = 0.2073 0.1197-0.0000 ( 5687 PWs) bands (ev): -19.8852 -19.8852 -19.8783 -19.8783 -6.5790 -6.5790 -6.5253 -6.5253 -4.7395 -4.7395 -4.5761 -4.5761 -4.4710 -4.4710 -4.4654 -4.4654 -0.7733 -0.7733 -0.3916 -0.3916 0.6530 0.6530 0.6547 0.6547 0.7371 0.7371 0.7639 0.7639 0.9838 0.9838 0.9869 0.9869 1.0313 1.0313 1.0386 1.0386 1.1161 1.1161 1.2423 1.2423 5.4328 5.4328 5.6134 5.6134 5.7081 5.7081 7.2747 7.2747 7.3118 7.3118 7.5620 7.5620 8.6141 8.6141 9.0720 9.0720 9.4310 9.4310 10.3913 10.3913 11.0006 11.0006 k = 0.2195 0.1267-0.0000 ( 5700 PWs) bands (ev): -19.8840 -19.8840 -19.8772 -19.8772 -6.5815 -6.5815 -6.5304 -6.5304 -4.7384 -4.7384 -4.5888 -4.5888 -4.4799 -4.4799 -4.4675 -4.4675 -0.7332 -0.7332 -0.3881 -0.3881 0.6541 0.6541 0.6567 0.6567 0.7399 0.7399 0.7651 0.7651 0.9859 0.9859 0.9894 0.9894 1.0313 1.0313 1.0390 1.0390 1.1220 1.1220 1.2487 1.2487 5.2868 5.2868 5.5734 5.5734 5.6849 5.6849 7.2308 7.2308 7.2687 7.2687 7.5366 7.5366 8.6191 8.6191 8.9922 8.9922 9.4542 9.4542 10.4041 10.4041 11.0758 11.0758 k = 0.2317 0.1338-0.0000 ( 5706 PWs) bands (ev): -19.8828 -19.8828 -19.8760 -19.8760 -6.5840 -6.5840 -6.5357 -6.5357 -4.7375 -4.7375 -4.6019 -4.6019 -4.4887 -4.4887 -4.4692 -4.4692 -0.6925 -0.6925 -0.3841 -0.3841 0.6553 0.6553 0.6586 0.6586 0.7430 0.7430 0.7666 0.7666 0.9881 0.9881 0.9919 0.9919 1.0313 1.0313 1.0395 1.0395 1.1285 1.1285 1.2556 1.2556 5.1420 5.1420 5.4438 5.4438 5.7575 5.7575 7.1726 7.1726 7.2410 7.2410 7.5125 7.5125 8.6150 8.6150 8.9151 8.9151 9.4828 9.4828 10.4183 10.4183 11.1540 11.1540 k = 0.2439 0.1408-0.0000 ( 5700 PWs) bands (ev): -19.8815 -19.8815 -19.8748 -19.8748 -6.5867 -6.5867 -6.5411 -6.5411 -4.7369 -4.7369 -4.6151 -4.6151 -4.4971 -4.4971 -4.4706 -4.4706 -0.6516 -0.6516 -0.3794 -0.3794 0.6567 0.6567 0.6602 0.6602 0.7464 0.7464 0.7684 0.7684 0.9902 0.9902 0.9943 0.9943 1.0313 1.0313 1.0403 1.0403 1.1357 1.1357 1.2630 1.2630 4.9988 4.9988 5.3185 5.3185 5.8316 5.8316 7.1123 7.1123 7.2177 7.2177 7.4891 7.4891 8.6021 8.6021 8.8406 8.8406 9.5170 9.5170 10.4374 10.4374 11.2344 11.2344 k = 0.2561 0.1479-0.0000 ( 5702 PWs) bands (ev): -19.8803 -19.8803 -19.8736 -19.8736 -6.5894 -6.5894 -6.5465 -6.5465 -4.7365 -4.7365 -4.6283 -4.6283 -4.5051 -4.5051 -4.4717 -4.4717 -0.6109 -0.6109 -0.3740 -0.3740 0.6581 0.6581 0.6615 0.6615 0.7500 0.7500 0.7705 0.7705 0.9924 0.9924 0.9964 0.9964 1.0314 1.0314 1.0412 1.0412 1.1437 1.1437 1.2710 1.2710 4.8575 4.8575 5.1975 5.1975 5.9067 5.9067 7.0528 7.0528 7.1963 7.1963 7.4662 7.4662 8.5810 8.5810 8.7687 8.7687 9.5561 9.5561 10.4631 10.4631 11.3149 11.3149 k = 0.2683 0.1549-0.0000 ( 5704 PWs) bands (ev): -19.8791 -19.8791 -19.8725 -19.8725 -6.5922 -6.5922 -6.5519 -6.5519 -4.7364 -4.7364 -4.6413 -4.6413 -4.5126 -4.5126 -4.4726 -4.4726 -0.5710 -0.5710 -0.3675 -0.3675 0.6597 0.6597 0.6626 0.6626 0.7540 0.7540 0.7728 0.7728 0.9947 0.9947 0.9984 0.9984 1.0317 1.0317 1.0422 1.0422 1.1526 1.1526 1.2794 1.2794 4.7186 4.7186 5.0806 5.0806 5.9822 5.9822 6.9951 6.9951 7.1769 7.1769 7.4436 7.4436 8.5529 8.5529 8.6994 8.6994 9.5991 9.5991 10.4964 10.4964 11.3063 11.3063 k = 0.2805 0.1619-0.0000 ( 5700 PWs) bands (ev): -19.8779 -19.8779 -19.8713 -19.8713 -6.5950 -6.5950 -6.5573 -6.5573 -4.7367 -4.7367 -4.6542 -4.6542 -4.5195 -4.5195 -4.4734 -4.4734 -0.5326 -0.5326 -0.3596 -0.3596 0.6614 0.6614 0.6635 0.6635 0.7582 0.7582 0.7752 0.7752 0.9970 0.9970 1.0000 1.0000 1.0321 1.0321 1.0433 1.0433 1.1624 1.1624 1.2884 1.2884 4.5824 4.5824 4.9680 4.9680 6.0576 6.0576 6.9395 6.9395 7.1595 7.1595 7.4214 7.4214 8.5195 8.5195 8.6327 8.6327 9.6450 9.6450 10.5378 10.5378 11.2478 11.2478 k = 0.2927 0.1690-0.0000 ( 5702 PWs) bands (ev): -19.8767 -19.8767 -19.8702 -19.8702 -6.5979 -6.5979 -6.5627 -6.5627 -4.7374 -4.7374 -4.6668 -4.6668 -4.5257 -4.5257 -4.4740 -4.4740 -0.4966 -0.4966 -0.3496 -0.3496 0.6631 0.6631 0.6642 0.6642 0.7627 0.7627 0.7779 0.7779 0.9993 0.9993 1.0015 1.0015 1.0327 1.0327 1.0445 1.0445 1.1733 1.1733 1.2980 1.2980 4.4490 4.4490 4.8597 4.8597 6.1322 6.1322 6.8862 6.8862 7.1445 7.1445 7.3997 7.3997 8.4820 8.4820 8.5684 8.5684 9.6923 9.6923 10.5868 10.5868 11.1877 11.1877 k = 0.3049 0.1760-0.0000 ( 5702 PWs) bands (ev): -19.8755 -19.8755 -19.8690 -19.8690 -6.6008 -6.6008 -6.5680 -6.5680 -4.7384 -4.7384 -4.6789 -4.6789 -4.5313 -4.5313 -4.4746 -4.4746 -0.4644 -0.4644 -0.3365 -0.3365 0.6644 0.6644 0.6652 0.6652 0.7674 0.7674 0.7806 0.7806 1.0015 1.0015 1.0028 1.0028 1.0333 1.0333 1.0457 1.0457 1.1853 1.1853 1.3082 1.3082 4.3189 4.3189 4.7557 4.7557 6.2052 6.2052 6.8356 6.8356 7.1324 7.1324 7.3785 7.3785 8.4419 8.4419 8.5065 8.5065 9.7401 9.7401 10.6428 10.6428 11.1279 11.1279 k = 0.3171 0.1831-0.0000 ( 5710 PWs) bands (ev): -19.8744 -19.8744 -19.8679 -19.8679 -6.6036 -6.6036 -6.5732 -6.5732 -4.7398 -4.7398 -4.6906 -4.6906 -4.5362 -4.5362 -4.4750 -4.4750 -0.4374 -0.4374 -0.3192 -0.3192 0.6648 0.6648 0.6670 0.6670 0.7722 0.7722 0.7836 0.7836 1.0031 1.0031 1.0044 1.0044 1.0341 1.0341 1.0470 1.0470 1.1985 1.1985 1.3191 1.3191 4.1921 4.1921 4.6562 4.6562 6.2757 6.2757 6.7876 6.7876 7.1237 7.1237 7.3580 7.3580 8.4003 8.4003 8.4469 8.4469 9.7873 9.7873 10.7045 10.7045 11.0699 11.0699 k = 0.3293 0.1901-0.0000 ( 5710 PWs) bands (ev): -19.8733 -19.8733 -19.8669 -19.8669 -6.6064 -6.6064 -6.5782 -6.5782 -4.7417 -4.7417 -4.7017 -4.7017 -4.5403 -4.5403 -4.4754 -4.4754 -0.4163 -0.4163 -0.2973 -0.2973 0.6648 0.6648 0.6690 0.6690 0.7770 0.7770 0.7868 0.7868 1.0041 1.0041 1.0066 1.0066 1.0349 1.0349 1.0483 1.0483 1.2129 1.2129 1.3307 1.3307 4.0692 4.0692 4.5614 4.5614 6.3426 6.3426 6.7426 6.7426 7.1193 7.1193 7.3384 7.3384 8.3581 8.3581 8.3894 8.3894 9.8335 9.8335 10.7695 10.7695 11.0146 11.0146 k = 0.3415 0.1971-0.0000 ( 5710 PWs) bands (ev): -19.8722 -19.8722 -19.8659 -19.8659 -6.6092 -6.6092 -6.5831 -6.5831 -4.7439 -4.7439 -4.7122 -4.7122 -4.5438 -4.5438 -4.4757 -4.4757 -0.4006 -0.4006 -0.2717 -0.2717 0.6648 0.6648 0.6710 0.6710 0.7815 0.7815 0.7904 0.7904 1.0046 1.0046 1.0089 1.0089 1.0358 1.0358 1.0496 1.0496 1.2283 1.2283 1.3432 1.3432 3.9502 3.9502 4.4714 4.4714 6.4048 6.4048 6.7006 6.7006 7.1198 7.1198 7.3198 7.3198 8.3157 8.3157 8.3346 8.3346 9.8781 9.8781 10.8348 10.8348 10.9629 10.9629 k = 0.3537 0.2042-0.0000 ( 5714 PWs) bands (ev): -19.8712 -19.8712 -19.8649 -19.8649 -6.6118 -6.6118 -6.5877 -6.5877 -4.7465 -4.7465 -4.7219 -4.7219 -4.5466 -4.5466 -4.4759 -4.4759 -0.3889 -0.3889 -0.2441 -0.2441 0.6647 0.6647 0.6729 0.6729 0.7853 0.7853 0.7946 0.7946 1.0051 1.0051 1.0111 1.0111 1.0367 1.0367 1.0509 1.0509 1.2445 1.2445 1.3568 1.3568 3.8356 3.8356 4.3865 4.3865 6.4605 6.4605 6.6620 6.6620 7.1261 7.1261 7.3024 7.3024 8.2712 8.2712 8.2845 8.2845 9.9208 9.9208 10.8929 10.8929 10.9184 10.9184 k = 0.3659 0.2112-0.0000 ( 5714 PWs) bands (ev): -19.8703 -19.8703 -19.8640 -19.8640 -6.6144 -6.6144 -6.5921 -6.5921 -4.7495 -4.7495 -4.7308 -4.7308 -4.5489 -4.5489 -4.4761 -4.4761 -0.3798 -0.3798 -0.2161 -0.2161 0.6644 0.6644 0.6748 0.6748 0.7885 0.7885 0.7993 0.7993 1.0053 1.0053 1.0133 1.0133 1.0376 1.0376 1.0522 1.0522 1.2612 1.2612 1.3717 1.3717 3.7258 3.7258 4.3069 4.3069 6.5078 6.5078 6.6279 6.6279 7.1388 7.1388 7.2869 7.2869 8.2217 8.2217 8.2425 8.2425 9.9614 9.9614 10.8685 10.8685 10.9521 10.9521 k = 0.3780 0.2183-0.0000 ( 5714 PWs) bands (ev): -19.8694 -19.8694 -19.8631 -19.8631 -6.6168 -6.6168 -6.5963 -6.5963 -4.7529 -4.7529 -4.7386 -4.7386 -4.5506 -4.5506 -4.4762 -4.4762 -0.3724 -0.3724 -0.1890 -0.1890 0.6642 0.6642 0.6767 0.6767 0.7911 0.7911 0.8043 0.8043 1.0055 1.0055 1.0155 1.0155 1.0384 1.0384 1.0534 1.0534 1.2780 1.2780 1.3881 1.3881 3.6211 3.6211 4.2329 4.2329 6.5411 6.5411 6.6031 6.6031 7.1576 7.1576 7.2740 7.2740 8.1708 8.1708 8.2054 8.2054 9.9999 9.9999 10.8294 10.8294 10.9927 10.9927 k = 0.3902 0.2253-0.0000 ( 5702 PWs) bands (ev): -19.8685 -19.8685 -19.8623 -19.8623 -6.6191 -6.6191 -6.6001 -6.6001 -4.7570 -4.7570 -4.7451 -4.7451 -4.5519 -4.5519 -4.4763 -4.4763 -0.3662 -0.3662 -0.1634 -0.1634 0.6638 0.6638 0.6784 0.6784 0.7933 0.7933 0.8094 0.8094 1.0056 1.0056 1.0176 1.0176 1.0392 1.0392 1.0546 1.0546 1.2942 1.2942 1.4061 1.4061 3.5221 3.5221 4.1648 4.1648 6.5425 6.5425 6.6051 6.6051 7.1801 7.1801 7.2664 7.2664 8.1201 8.1201 8.1715 8.1715 10.0359 10.0359 10.7943 10.7943 11.0198 11.0198 k = 0.4024 0.2323-0.0000 ( 5698 PWs) bands (ev): -19.8678 -19.8678 -19.8616 -19.8616 -6.6212 -6.6212 -6.6036 -6.6036 -4.7617 -4.7617 -4.7501 -4.7501 -4.5528 -4.5528 -4.4764 -4.4764 -0.3610 -0.3610 -0.1399 -0.1399 0.6635 0.6635 0.6800 0.6800 0.7952 0.7952 0.8144 0.8144 1.0056 1.0056 1.0195 1.0195 1.0398 1.0398 1.0558 1.0558 1.3094 1.3094 1.4259 1.4259 3.4295 3.4295 4.1028 4.1028 6.5223 6.5223 6.6241 6.6241 7.1983 7.1983 7.2716 7.2716 8.0698 8.0698 8.1406 8.1406 10.0694 10.0694 10.7636 10.7636 11.0347 11.0347 k = 0.4146 0.2394-0.0000 ( 5698 PWs) bands (ev): -19.8671 -19.8671 -19.8610 -19.8610 -6.6231 -6.6231 -6.6067 -6.6067 -4.7668 -4.7668 -4.7539 -4.7539 -4.5534 -4.5534 -4.4764 -4.4764 -0.3565 -0.3565 -0.1187 -0.1187 0.6632 0.6632 0.6815 0.6815 0.7968 0.7968 0.8190 0.8190 1.0055 1.0055 1.0213 1.0213 1.0404 1.0404 1.0568 1.0568 1.3230 1.3230 1.4471 1.4471 3.3440 3.3440 4.0472 4.0472 6.5003 6.5003 6.6414 6.6414 7.2030 7.2030 7.2977 7.2977 8.0199 8.0199 8.1129 8.1129 10.1002 10.1002 10.7374 10.7374 11.0402 11.0402 k = 0.4268 0.2464-0.0000 ( 5700 PWs) bands (ev): -19.8665 -19.8665 -19.8604 -19.8604 -6.6248 -6.6248 -6.6095 -6.6095 -4.7716 -4.7716 -4.7569 -4.7569 -4.5538 -4.5538 -4.4765 -4.4765 -0.3526 -0.3526 -0.1002 -0.1002 0.6629 0.6629 0.6828 0.6828 0.7982 0.7982 0.8231 0.8231 1.0055 1.0055 1.0229 1.0229 1.0408 1.0408 1.0577 1.0577 1.3350 1.3350 1.4691 1.4691 3.2664 3.2664 3.9983 3.9983 6.4801 6.4801 6.6543 6.6543 7.1991 7.1991 7.3383 7.3383 7.9701 7.9701 8.0887 8.0887 10.1279 10.1279 10.7154 10.7154 11.0395 11.0395 k = 0.4390 0.2535-0.0000 ( 5706 PWs) bands (ev): -19.8660 -19.8660 -19.8599 -19.8599 -6.6262 -6.6262 -6.6119 -6.6119 -4.7759 -4.7759 -4.7593 -4.7593 -4.5540 -4.5540 -4.4765 -4.4765 -0.3494 -0.3494 -0.0844 -0.0844 0.6625 0.6625 0.6840 0.6840 0.7993 0.7993 0.8268 0.8268 1.0054 1.0054 1.0244 1.0244 1.0412 1.0412 1.0585 1.0585 1.3451 1.3451 1.4910 1.4910 3.1977 3.1977 3.9564 3.9564 6.4627 6.4627 6.6635 6.6635 7.1930 7.1930 7.3857 7.3857 7.9204 7.9204 8.0679 8.0679 10.1522 10.1522 10.6975 10.6975 11.0352 11.0352 k = 0.4512 0.2605-0.0000 ( 5718 PWs) bands (ev): -19.8656 -19.8656 -19.8595 -19.8595 -6.6274 -6.6274 -6.6139 -6.6139 -4.7796 -4.7796 -4.7613 -4.7613 -4.5541 -4.5541 -4.4765 -4.4765 -0.3468 -0.3468 -0.0714 -0.0714 0.6623 0.6623 0.6849 0.6849 0.8002 0.8002 0.8299 0.8299 1.0053 1.0053 1.0256 1.0256 1.0414 1.0414 1.0592 1.0592 1.3533 1.3533 1.5114 1.5114 3.1392 3.1392 3.9217 3.9217 6.4484 6.4484 6.6697 6.6697 7.1871 7.1871 7.4363 7.4363 7.8706 7.8706 8.0508 8.0508 10.1727 10.1727 10.6834 10.6834 11.0293 11.0293 k = 0.4634 0.2676-0.0000 ( 5718 PWs) bands (ev): -19.8653 -19.8653 -19.8592 -19.8592 -6.6284 -6.6284 -6.6154 -6.6154 -4.7824 -4.7824 -4.7629 -4.7629 -4.5542 -4.5542 -4.4765 -4.4765 -0.3447 -0.3447 -0.0613 -0.0613 0.6621 0.6621 0.6857 0.6857 0.8009 0.8009 0.8324 0.8324 1.0052 1.0052 1.0266 1.0266 1.0416 1.0416 1.0597 1.0597 1.3597 1.3597 1.5292 1.5292 3.0919 3.0919 3.8945 3.8945 6.4371 6.4371 6.6738 6.6738 7.1821 7.1821 7.4881 7.4881 7.8209 7.8209 8.0373 8.0373 10.1892 10.1892 10.6728 10.6728 11.0233 11.0233 k = 0.4756 0.2746-0.0000 ( 5724 PWs) bands (ev): -19.8651 -19.8651 -19.8590 -19.8590 -6.6291 -6.6291 -6.6165 -6.6165 -4.7845 -4.7845 -4.7640 -4.7640 -4.5542 -4.5542 -4.4765 -4.4765 -0.3433 -0.3433 -0.0541 -0.0541 0.6619 0.6619 0.6862 0.6862 0.8014 0.8014 0.8342 0.8342 1.0051 1.0051 1.0274 1.0274 1.0417 1.0417 1.0601 1.0601 1.3642 1.3642 1.5431 1.5431 3.0571 3.0571 3.8750 3.8750 6.4290 6.4290 6.6763 6.6763 7.1783 7.1783 7.5392 7.5392 7.7721 7.7721 8.0277 8.0277 10.2013 10.2013 10.6655 10.6655 11.0183 11.0183 k = 0.4878 0.2816-0.0000 ( 5728 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6295 -6.6295 -6.6172 -6.6172 -4.7858 -4.7858 -4.7646 -4.7646 -4.5542 -4.5542 -4.4765 -4.4765 -0.3424 -0.3424 -0.0497 -0.0497 0.6618 0.6618 0.6865 0.6865 0.8017 0.8017 0.8353 0.8353 1.0051 1.0051 1.0278 1.0278 1.0418 1.0418 1.0603 1.0603 1.3669 1.3669 1.5519 1.5519 3.0358 3.0358 3.8632 3.8632 6.4242 6.4242 6.6776 6.6776 7.1761 7.1761 7.5857 7.5857 7.7272 7.7272 8.0219 8.0219 10.2086 10.2086 10.6612 10.6612 11.0150 11.0150 k = 0.5000 0.2887-0.0000 ( 5728 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6296 -6.6296 -6.6174 -6.6174 -4.7862 -4.7862 -4.7649 -4.7649 -4.5542 -4.5542 -4.4765 -4.4765 -0.3421 -0.3421 -0.0483 -0.0483 0.6618 0.6618 0.6866 0.6866 0.8018 0.8018 0.8356 0.8356 1.0050 1.0050 1.0280 1.0280 1.0418 1.0418 1.0604 1.0604 1.3678 1.3678 1.5549 1.5549 3.0286 3.0286 3.8592 3.8592 6.4225 6.4225 6.6780 6.6780 7.1753 7.1753 7.6104 7.6104 7.7030 7.7030 8.0200 8.0200 10.2111 10.2111 10.6598 10.6598 11.0138 11.0138 k = 0.5000 0.2887-0.0000 ( 5728 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6296 -6.6296 -6.6174 -6.6174 -4.7862 -4.7862 -4.7649 -4.7649 -4.5542 -4.5542 -4.4765 -4.4765 -0.3421 -0.3421 -0.0483 -0.0483 0.6618 0.6618 0.6866 0.6866 0.8018 0.8018 0.8356 0.8356 1.0050 1.0050 1.0280 1.0280 1.0418 1.0418 1.0604 1.0604 1.3678 1.3678 1.5549 1.5549 3.0286 3.0286 3.8592 3.8592 6.4225 6.4225 6.6780 6.6780 7.1753 7.1753 7.6104 7.6104 7.7030 7.7030 8.0200 8.0200 10.2111 10.2111 10.6598 10.6598 11.0138 11.0138 k = 0.4931 0.3007-0.0000 ( 5725 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6296 -6.6296 -6.6174 -6.6174 -4.7861 -4.7861 -4.7647 -4.7647 -4.5545 -4.5545 -4.4768 -4.4768 -0.3414 -0.3414 -0.0482 -0.0482 0.6618 0.6618 0.6866 0.6866 0.8000 0.8000 0.8375 0.8375 1.0050 1.0050 1.0280 1.0280 1.0417 1.0417 1.0605 1.0605 1.3681 1.3681 1.5553 1.5553 3.0299 3.0299 3.8571 3.8571 6.4216 6.4216 6.6797 6.6797 7.1517 7.1517 7.6124 7.6124 7.7020 7.7020 8.0427 8.0427 10.2163 10.2163 10.6329 10.6329 11.0207 11.0207 k = 0.4861 0.3127-0.0000 ( 5727 PWs) bands (ev): -19.8648 -19.8648 -19.8587 -19.8587 -6.6297 -6.6297 -6.6175 -6.6175 -4.7859 -4.7859 -4.7642 -4.7642 -4.5556 -4.5556 -4.4778 -4.4778 -0.3395 -0.3395 -0.0479 -0.0479 0.6618 0.6618 0.6865 0.6865 0.7955 0.7955 0.8421 0.8421 1.0051 1.0051 1.0278 1.0278 1.0415 1.0415 1.0606 1.0606 1.3689 1.3689 1.5563 1.5563 3.0339 3.0339 3.8509 3.8509 6.4190 6.4190 6.6848 6.6848 7.0872 7.0872 7.6184 7.6184 7.6993 7.6993 8.1044 8.1044 10.2316 10.2316 10.5630 10.5630 11.0411 11.0411 k = 0.4792 0.3248-0.0000 ( 5721 PWs) bands (ev): -19.8647 -19.8647 -19.8587 -19.8587 -6.6298 -6.6298 -6.6176 -6.6176 -4.7856 -4.7856 -4.7633 -4.7633 -4.5573 -4.5573 -4.4795 -4.4795 -0.3363 -0.3363 -0.0474 -0.0474 0.6617 0.6617 0.6864 0.6864 0.7896 0.7896 0.8483 0.8483 1.0051 1.0051 1.0277 1.0277 1.0411 1.0411 1.0609 1.0609 1.3703 1.3703 1.5581 1.5581 3.0405 3.0405 3.8406 3.8406 6.4146 6.4146 6.6932 6.6932 6.9949 6.9949 7.6282 7.6282 7.6954 7.6954 8.1918 8.1918 10.2553 10.2553 10.4696 10.4696 11.0748 11.0748 k = 0.4722 0.3368-0.0000 ( 5711 PWs) bands (ev): -19.8646 -19.8646 -19.8586 -19.8586 -6.6299 -6.6299 -6.6178 -6.6178 -4.7851 -4.7851 -4.7622 -4.7622 -4.5598 -4.5598 -4.4817 -4.4817 -0.3318 -0.3318 -0.0468 -0.0468 0.6617 0.6617 0.6862 0.6862 0.7830 0.7830 0.8552 0.8552 1.0051 1.0051 1.0275 1.0275 1.0405 1.0405 1.0613 1.0613 1.3721 1.3721 1.5605 1.5605 3.0497 3.0497 3.8265 3.8265 6.4085 6.4085 6.7049 6.7049 6.8858 6.8858 7.6413 7.6413 7.6909 7.6909 8.2941 8.2941 10.2763 10.2763 10.3763 10.3763 11.1213 11.1213 k = 0.4653 0.3488-0.0000 ( 5715 PWs) bands (ev): -19.8645 -19.8645 -19.8584 -19.8584 -6.6300 -6.6300 -6.6180 -6.6180 -4.7846 -4.7846 -4.7606 -4.7606 -4.5628 -4.5628 -4.4845 -4.4845 -0.3262 -0.3262 -0.0460 -0.0460 0.6617 0.6617 0.6860 0.6860 0.7762 0.7762 0.8624 0.8624 1.0050 1.0050 1.0272 1.0272 1.0399 1.0399 1.0617 1.0617 1.3745 1.3745 1.5636 1.5636 3.0613 3.0613 3.8088 3.8088 6.4010 6.4010 6.7194 6.7194 6.7676 6.7676 7.6553 7.6553 7.6880 7.6880 8.4046 8.4046 10.2206 10.2206 10.3634 10.3634 11.1801 11.1801 k = 0.4583 0.3608-0.0000 ( 5713 PWs) bands (ev): -19.8643 -19.8643 -19.8583 -19.8583 -6.6302 -6.6302 -6.6183 -6.6183 -4.7839 -4.7839 -4.7588 -4.7588 -4.5665 -4.5665 -4.4878 -4.4878 -0.3194 -0.3194 -0.0452 -0.0452 0.6617 0.6617 0.6857 0.6857 0.7694 0.7694 0.8697 0.8697 1.0050 1.0050 1.0268 1.0268 1.0392 1.0392 1.0621 1.0621 1.3775 1.3775 1.5673 1.5673 3.0752 3.0752 3.7878 3.7878 6.3921 6.3921 6.6419 6.6419 6.7392 6.7392 7.6613 7.6613 7.6957 7.6957 8.5193 8.5193 10.1118 10.1118 10.4101 10.4101 11.2502 11.2502 k = 0.4514 0.3729-0.0000 ( 5715 PWs) bands (ev): -19.8642 -19.8642 -19.8581 -19.8581 -6.6304 -6.6304 -6.6186 -6.6186 -4.7832 -4.7832 -4.7566 -4.7566 -4.5708 -4.5708 -4.4916 -4.4916 -0.3116 -0.3116 -0.0442 -0.0442 0.6616 0.6616 0.6853 0.6853 0.7626 0.7626 0.8771 0.8771 1.0050 1.0050 1.0264 1.0264 1.0384 1.0384 1.0626 1.0626 1.3810 1.3810 1.5715 1.5715 3.0913 3.0913 3.7638 3.7638 6.3818 6.3818 6.5157 6.5157 6.7605 6.7605 7.6557 7.6557 7.7175 7.7175 8.6361 8.6361 9.9973 9.9973 10.4698 10.4698 11.3304 11.3304 k = 0.4444 0.3849-0.0000 ( 5721 PWs) bands (ev): -19.8640 -19.8640 -19.8579 -19.8579 -6.6306 -6.6306 -6.6189 -6.6189 -4.7824 -4.7824 -4.7542 -4.7542 -4.5755 -4.5755 -4.4958 -4.4958 -0.3028 -0.3028 -0.0432 -0.0432 0.6615 0.6615 0.6849 0.6849 0.7561 0.7561 0.8844 0.8844 1.0049 1.0049 1.0259 1.0259 1.0375 1.0375 1.0631 1.0631 1.3851 1.3851 1.5762 1.5762 3.1094 3.1094 3.7372 3.7372 6.3667 6.3667 6.3927 6.3927 6.7849 6.7849 7.6456 7.6456 7.7462 7.7462 8.7537 8.7537 9.8828 9.8828 10.5365 10.5365 11.4191 11.4191 k = 0.4375 0.3969-0.0000 ( 5723 PWs) bands (ev): -19.8637 -19.8637 -19.8577 -19.8577 -6.6309 -6.6309 -6.6193 -6.6193 -4.7817 -4.7817 -4.7514 -4.7514 -4.5807 -4.5807 -4.5002 -4.5002 -0.2931 -0.2931 -0.0422 -0.0422 0.6614 0.6614 0.6845 0.6845 0.7498 0.7498 0.8917 0.8917 1.0049 1.0049 1.0254 1.0254 1.0366 1.0366 1.0636 1.0636 1.3897 1.3897 1.5814 1.5814 3.1293 3.1293 3.7086 3.7086 6.2596 6.2596 6.3617 6.3617 6.8121 6.8121 7.6333 7.6333 7.7793 7.7793 8.8715 8.8715 9.7701 9.7701 10.6072 10.6072 11.5142 11.5142 k = 0.4306 0.4090-0.0000 ( 5729 PWs) bands (ev): -19.8635 -19.8635 -19.8575 -19.8575 -6.6311 -6.6311 -6.6198 -6.6198 -4.7809 -4.7809 -4.7483 -4.7483 -4.5864 -4.5864 -4.5049 -4.5049 -0.2826 -0.2826 -0.0413 -0.0413 0.6613 0.6613 0.6839 0.6839 0.7438 0.7438 0.8987 0.8987 1.0048 1.0048 1.0248 1.0248 1.0358 1.0358 1.0640 1.0640 1.3949 1.3949 1.5868 1.5868 3.1506 3.1506 3.6783 3.6783 6.1354 6.1354 6.3494 6.3494 6.8418 6.8418 7.6194 7.6194 7.8162 7.8162 8.9891 8.9891 9.6600 9.6600 10.6787 10.6787 11.6127 11.6127 k = 0.4236 0.4210-0.0000 ( 5733 PWs) bands (ev): -19.8633 -19.8633 -19.8572 -19.8572 -6.6314 -6.6314 -6.6202 -6.6202 -4.7801 -4.7801 -4.7450 -4.7450 -4.5923 -4.5923 -4.5097 -4.5097 -0.2715 -0.2715 -0.0404 -0.0404 0.6612 0.6612 0.6833 0.6833 0.7382 0.7382 0.9056 0.9056 1.0047 1.0047 1.0242 1.0242 1.0349 1.0349 1.0645 1.0645 1.4006 1.4006 1.5926 1.5926 3.1731 3.1731 3.6469 3.6469 6.0136 6.0136 6.3374 6.3374 6.8738 6.8738 7.6043 7.6043 7.8564 7.8564 9.1061 9.1061 9.5533 9.5533 10.7470 10.7470 11.6588 11.6588 k = 0.4167 0.4330-0.0000 ( 5737 PWs) bands (ev): -19.8630 -19.8630 -19.8570 -19.8570 -6.6318 -6.6318 -6.6207 -6.6207 -4.7794 -4.7794 -4.7414 -4.7414 -4.5985 -4.5985 -4.5145 -4.5145 -0.2599 -0.2599 -0.0397 -0.0397 0.6611 0.6611 0.6825 0.6825 0.7330 0.7330 0.9122 0.9122 1.0045 1.0045 1.0235 1.0235 1.0341 1.0341 1.0649 1.0649 1.4068 1.4068 1.5985 1.5985 3.1964 3.1964 3.6149 3.6149 5.8955 5.8955 6.3255 6.3255 6.9078 6.9078 7.5880 7.5880 7.8995 7.8995 9.2214 9.2214 9.4515 9.4515 10.8065 10.8065 11.6136 11.6136 k = 0.4097 0.4450-0.0000 ( 5737 PWs) bands (ev): -19.8627 -19.8627 -19.8568 -19.8568 -6.6321 -6.6321 -6.6212 -6.6212 -4.7788 -4.7788 -4.7377 -4.7377 -4.6050 -4.6050 -4.5193 -4.5193 -0.2480 -0.2480 -0.0391 -0.0391 0.6609 0.6609 0.6817 0.6817 0.7282 0.7282 0.9186 0.9186 1.0044 1.0044 1.0228 1.0228 1.0334 1.0334 1.0653 1.0653 1.4134 1.4134 1.6046 1.6046 3.2201 3.2201 3.5828 3.5828 5.7820 5.7820 6.3139 6.3139 6.9435 6.9435 7.5707 7.5707 7.9453 7.9453 9.3107 9.3107 9.3792 9.3792 10.8503 10.8503 11.5901 11.5901 k = 0.4028 0.4571-0.0000 ( 5741 PWs) bands (ev): -19.8625 -19.8625 -19.8565 -19.8565 -6.6325 -6.6325 -6.6218 -6.6218 -4.7783 -4.7783 -4.7337 -4.7337 -4.6115 -4.6115 -4.5239 -4.5239 -0.2359 -0.2359 -0.0387 -0.0387 0.6608 0.6608 0.6808 0.6808 0.7240 0.7240 0.9246 0.9246 1.0042 1.0042 1.0221 1.0221 1.0326 1.0326 1.0656 1.0656 1.4203 1.4203 1.6107 1.6107 3.2437 3.2437 3.5512 3.5512 5.6741 5.6741 6.3028 6.3028 6.9805 6.9805 7.5524 7.5524 7.9933 7.9933 9.2429 9.2429 9.4678 9.4678 10.8724 10.8724 11.5939 11.5939 k = 0.3958 0.4691-0.0000 ( 5739 PWs) bands (ev): -19.8622 -19.8622 -19.8563 -19.8563 -6.6328 -6.6328 -6.6223 -6.6223 -4.7779 -4.7779 -4.7297 -4.7297 -4.6181 -4.6181 -4.5284 -4.5284 -0.2238 -0.2238 -0.0386 -0.0386 0.6607 0.6607 0.6797 0.6797 0.7203 0.7203 0.9303 0.9303 1.0040 1.0040 1.0214 1.0214 1.0320 1.0320 1.0660 1.0660 1.4275 1.4275 1.6168 1.6168 3.2667 3.2667 3.5206 3.5206 5.5727 5.5727 6.2922 6.2922 7.0186 7.0186 7.5335 7.5335 8.0432 8.0432 9.1524 9.1524 9.5831 9.5831 10.8709 10.8709 11.6257 11.6257 k = 0.3889 0.4811-0.0000 ( 5735 PWs) bands (ev): -19.8620 -19.8620 -19.8560 -19.8560 -6.6332 -6.6332 -6.6229 -6.6229 -4.7776 -4.7776 -4.7255 -4.7255 -4.6246 -4.6246 -4.5325 -4.5325 -0.2119 -0.2119 -0.0386 -0.0386 0.6606 0.6606 0.6787 0.6787 0.7171 0.7171 0.9355 0.9355 1.0038 1.0038 1.0207 1.0207 1.0313 1.0313 1.0663 1.0663 1.4348 1.4348 1.6227 1.6227 3.2884 3.2884 3.4915 3.4915 5.4787 5.4787 6.2823 6.2823 7.0572 7.0572 7.5139 7.5139 8.0944 8.0944 9.0642 9.0642 9.6999 9.6999 10.8492 10.8492 11.6810 11.6810 k = 0.3819 0.4932-0.0000 ( 5727 PWs) bands (ev): -19.8618 -19.8618 -19.8558 -19.8558 -6.6335 -6.6335 -6.6234 -6.6234 -4.7774 -4.7774 -4.7213 -4.7213 -4.6310 -4.6310 -4.5362 -4.5362 -0.2005 -0.2005 -0.0389 -0.0389 0.6605 0.6605 0.6775 0.6775 0.7144 0.7144 0.9403 0.9403 1.0037 1.0037 1.0201 1.0201 1.0308 1.0308 1.0666 1.0666 1.4420 1.4420 1.6285 1.6285 3.3083 3.3083 3.4646 3.4646 5.3931 5.3931 6.2733 6.2733 7.0960 7.0960 7.4938 7.4938 8.1466 8.1466 8.9797 8.9797 9.8165 9.8165 10.8137 10.8137 11.7523 11.7523 k = 0.3750 0.5052-0.0000 ( 5719 PWs) bands (ev): -19.8615 -19.8615 -19.8556 -19.8556 -6.6339 -6.6339 -6.6240 -6.6240 -4.7773 -4.7773 -4.7171 -4.7171 -4.6371 -4.6371 -4.5395 -4.5395 -0.1898 -0.1898 -0.0393 -0.0393 0.6604 0.6604 0.6764 0.6764 0.7123 0.7123 0.9446 0.9446 1.0035 1.0035 1.0195 1.0195 1.0303 1.0303 1.0669 1.0669 1.4491 1.4491 1.6339 1.6339 3.3256 3.3256 3.4403 3.4403 5.3169 5.3169 6.2651 6.2651 7.1343 7.1343 7.4735 7.4735 8.1992 8.1992 8.8995 8.8995 9.9319 9.9319 10.7698 10.7698 11.8322 11.8322 k = 0.3681 0.5172-0.0000 ( 5715 PWs) bands (ev): -19.8614 -19.8614 -19.8554 -19.8554 -6.6342 -6.6342 -6.6244 -6.6244 -4.7774 -4.7774 -4.7131 -4.7131 -4.6428 -4.6428 -4.5424 -4.5424 -0.1801 -0.1801 -0.0399 -0.0399 0.6604 0.6604 0.6754 0.6754 0.7105 0.7105 0.9483 0.9483 1.0034 1.0034 1.0189 1.0189 1.0299 1.0299 1.0671 1.0671 1.4556 1.4556 1.6389 1.6389 3.3398 3.3398 3.4193 3.4193 5.2510 5.2510 6.2580 6.2580 7.1716 7.1716 7.4531 7.4531 8.2518 8.2518 8.8238 8.8238 10.0449 10.0449 10.7218 10.7218 11.8160 11.8160 k = 0.3611 0.5292-0.0000 ( 5727 PWs) bands (ev): -19.8612 -19.8612 -19.8552 -19.8552 -6.6345 -6.6345 -6.6249 -6.6249 -4.7775 -4.7775 -4.7094 -4.7094 -4.6481 -4.6481 -4.5447 -4.5447 -0.1716 -0.1716 -0.0405 -0.0405 0.6604 0.6604 0.6744 0.6744 0.7092 0.7092 0.9514 0.9514 1.0033 1.0033 1.0184 1.0184 1.0295 1.0295 1.0673 1.0673 1.4615 1.4615 1.6433 1.6433 3.3500 3.3500 3.4024 3.4024 5.1962 5.1962 6.2520 6.2520 7.2069 7.2069 7.4330 7.4330 8.3039 8.3039 8.7526 8.7526 10.1537 10.1537 10.6721 10.6721 11.7561 11.7561 k = 0.3542 0.5413-0.0000 ( 5731 PWs) bands (ev): -19.8610 -19.8610 -19.8551 -19.8551 -6.6347 -6.6347 -6.6252 -6.6252 -4.7776 -4.7776 -4.7060 -4.7060 -4.6526 -4.6526 -4.5465 -4.5465 -0.1647 -0.1647 -0.0410 -0.0410 0.6603 0.6603 0.6737 0.6737 0.7082 0.7082 0.9538 0.9538 1.0033 1.0033 1.0181 1.0181 1.0292 1.0292 1.0674 1.0674 1.4665 1.4665 1.6472 1.6472 3.3554 3.3554 3.3906 3.3906 5.1534 5.1534 6.2472 6.2472 7.2392 7.2392 7.4138 7.4138 8.3551 8.3551 8.6865 8.6865 10.2554 10.2554 10.6227 10.6227 11.7000 11.7000 k = 0.3472 0.5533-0.0000 ( 5749 PWs) bands (ev): -19.8609 -19.8609 -19.8550 -19.8550 -6.6349 -6.6349 -6.6255 -6.6255 -4.7778 -4.7778 -4.7034 -4.7034 -4.6561 -4.6561 -4.5478 -4.5478 -0.1596 -0.1596 -0.0414 -0.0414 0.6603 0.6603 0.6731 0.6731 0.7075 0.7075 0.9555 0.9555 1.0033 1.0033 1.0178 1.0178 1.0289 1.0289 1.0676 1.0676 1.4703 1.4703 1.6502 1.6502 3.3560 3.3560 3.3844 3.3844 5.1227 5.1227 6.2436 6.2436 7.2666 7.2666 7.3967 7.3967 8.4049 8.4049 8.6258 8.6258 10.3459 10.3459 10.5751 10.5751 11.6531 11.6531 k = 0.3403 0.5653-0.0000 ( 5753 PWs) bands (ev): -19.8609 -19.8609 -19.8550 -19.8550 -6.6350 -6.6350 -6.6257 -6.6257 -4.7780 -4.7780 -4.7017 -4.7017 -4.6583 -4.6583 -4.5485 -4.5485 -0.1564 -0.1564 -0.0415 -0.0415 0.6603 0.6603 0.6728 0.6728 0.7071 0.7071 0.9565 0.9565 1.0033 1.0033 1.0177 1.0177 1.0287 1.0287 1.0676 1.0676 1.4726 1.4726 1.6522 1.6522 3.3542 3.3542 3.3820 3.3820 5.1045 5.1045 6.2415 6.2415 7.2859 7.2859 7.3842 7.3842 8.4512 8.4512 8.5727 8.5727 10.4187 10.4187 10.5316 10.5316 11.6212 11.6212 k = 0.3333 0.5774-0.0000 ( 5757 PWs) bands (ev): -19.8609 -19.8609 -19.8549 -19.8549 -6.6351 -6.6351 -6.6258 -6.6258 -4.7780 -4.7780 -4.7011 -4.7011 -4.6590 -4.6590 -4.5488 -4.5488 -0.1554 -0.1554 -0.0416 -0.0416 0.6603 0.6603 0.6727 0.6727 0.7069 0.7069 0.9569 0.9569 1.0033 1.0033 1.0176 1.0176 1.0287 1.0287 1.0677 1.0677 1.4735 1.4735 1.6529 1.6529 3.3533 3.3533 3.3813 3.3813 5.0986 5.0986 6.2407 6.2407 7.2928 7.2928 7.3796 7.3796 8.4785 8.4785 8.5430 8.5430 10.4543 10.4543 10.5069 10.5069 11.6096 11.6096 k = 0.3333 0.5774-0.0000 ( 5757 PWs) bands (ev): -19.8609 -19.8609 -19.8549 -19.8549 -6.6351 -6.6351 -6.6258 -6.6258 -4.7780 -4.7780 -4.7011 -4.7011 -4.6590 -4.6590 -4.5488 -4.5488 -0.1554 -0.1554 -0.0416 -0.0416 0.6603 0.6603 0.6727 0.6727 0.7069 0.7069 0.9569 0.9569 1.0033 1.0033 1.0176 1.0176 1.0287 1.0287 1.0677 1.0677 1.4735 1.4735 1.6529 1.6529 3.3533 3.3533 3.3813 3.3813 5.0986 5.0986 6.2407 6.2407 7.2928 7.2928 7.3796 7.3796 8.4785 8.4785 8.5430 8.5430 10.4543 10.4543 10.5069 10.5069 11.6096 11.6096 k = 0.3262 0.5651-0.0000 ( 5761 PWs) bands (ev): -19.8609 -19.8609 -19.8550 -19.8550 -6.6350 -6.6350 -6.6257 -6.6257 -4.7779 -4.7779 -4.7016 -4.7016 -4.6583 -4.6583 -4.5485 -4.5485 -0.1565 -0.1565 -0.0416 -0.0416 0.6603 0.6603 0.6728 0.6728 0.7071 0.7071 0.9565 0.9565 1.0033 1.0033 1.0176 1.0176 1.0287 1.0287 1.0676 1.0676 1.4726 1.4726 1.6521 1.6521 3.3542 3.3542 3.3826 3.3826 5.1046 5.1046 6.2415 6.2415 7.2868 7.2868 7.3829 7.3829 8.4525 8.4525 8.5717 8.5717 10.4294 10.4294 10.5195 10.5195 11.6221 11.6221 k = 0.3191 0.5528-0.0000 ( 5761 PWs) bands (ev): -19.8610 -19.8610 -19.8550 -19.8550 -6.6349 -6.6349 -6.6255 -6.6255 -4.7777 -4.7777 -4.7031 -4.7031 -4.6563 -4.6563 -4.5478 -4.5478 -0.1596 -0.1596 -0.0419 -0.0419 0.6603 0.6603 0.6730 0.6730 0.7074 0.7074 0.9555 0.9555 1.0032 1.0032 1.0177 1.0177 1.0289 1.0289 1.0675 1.0675 1.4698 1.4698 1.6492 1.6492 3.3565 3.3565 3.3879 3.3879 5.1221 5.1221 6.2440 6.2440 7.2729 7.2729 7.3879 7.3879 8.4132 8.4132 8.6194 8.6194 10.3927 10.3927 10.5195 10.5195 11.6569 11.6569 k = 0.3121 0.5405-0.0000 ( 5739 PWs) bands (ev): -19.8611 -19.8611 -19.8552 -19.8552 -6.6346 -6.6346 -6.6250 -6.6250 -4.7771 -4.7771 -4.7051 -4.7051 -4.6533 -4.6533 -4.5467 -4.5467 -0.1644 -0.1644 -0.0427 -0.0427 0.6604 0.6604 0.6733 0.6733 0.7081 0.7081 0.9538 0.9538 1.0032 1.0032 1.0177 1.0177 1.0293 1.0293 1.0673 1.0673 1.4652 1.4652 1.6440 1.6440 3.3598 3.3598 3.3994 3.3994 5.1501 5.1501 6.2482 6.2482 7.2557 7.2557 7.3894 7.3894 8.3762 8.3762 8.6712 8.6712 10.3571 10.3571 10.4969 10.4969 11.7023 11.7023 k = 0.3050 0.5282-0.0000 ( 5727 PWs) bands (ev): -19.8613 -19.8613 -19.8553 -19.8553 -6.6342 -6.6342 -6.6244 -6.6244 -4.7763 -4.7763 -4.7074 -4.7074 -4.6497 -4.6497 -4.5451 -4.5451 -0.1709 -0.1709 -0.0444 -0.0444 0.6605 0.6605 0.6737 0.6737 0.7091 0.7091 0.9515 0.9515 1.0030 1.0030 1.0177 1.0177 1.0297 1.0297 1.0670 1.0670 1.4588 1.4588 1.6362 1.6362 3.3651 3.3651 3.4173 3.4173 5.1877 5.1877 6.2543 6.2543 7.2374 7.2374 7.3847 7.3847 8.3435 8.3435 8.7258 8.7258 10.3240 10.3240 10.4558 10.4558 11.7331 11.7331 k = 0.2979 0.5159-0.0000 ( 5715 PWs) bands (ev): -19.8615 -19.8615 -19.8556 -19.8556 -6.6336 -6.6336 -6.6236 -6.6236 -4.7750 -4.7750 -4.7097 -4.7097 -4.6457 -4.6457 -4.5433 -4.5433 -0.1786 -0.1786 -0.0473 -0.0473 0.6606 0.6606 0.6740 0.6740 0.7103 0.7103 0.9487 0.9487 1.0029 1.0029 1.0176 1.0176 1.0303 1.0303 1.0666 1.0666 1.4507 1.4507 1.6256 1.6256 3.3742 3.3742 3.4414 3.4414 5.2338 5.2338 6.2623 6.2623 7.2190 7.2190 7.3725 7.3725 8.3155 8.3155 8.7836 8.7836 10.2937 10.2937 10.4017 10.4017 11.7216 11.7216 k = 0.2908 0.5036-0.0000 ( 5715 PWs) bands (ev): -19.8618 -19.8618 -19.8559 -19.8559 -6.6329 -6.6329 -6.6225 -6.6225 -4.7734 -4.7734 -4.7119 -4.7119 -4.6415 -4.6415 -4.5411 -4.5411 -0.1874 -0.1874 -0.0517 -0.0517 0.6607 0.6607 0.6741 0.6741 0.7118 0.7118 0.9452 0.9452 1.0027 1.0027 1.0175 1.0175 1.0309 1.0309 1.0661 1.0661 1.4409 1.4409 1.6122 1.6122 3.3887 3.3887 3.4713 3.4713 5.2875 5.2875 6.2723 6.2723 7.2009 7.2009 7.3525 7.3525 8.2924 8.2924 8.8450 8.8450 10.2648 10.2648 10.3401 10.3401 11.6703 11.6703 k = 0.2837 0.4914-0.0000 ( 5711 PWs) bands (ev): -19.8622 -19.8622 -19.8562 -19.8562 -6.6321 -6.6321 -6.6211 -6.6211 -4.7713 -4.7713 -4.7138 -4.7138 -4.6370 -4.6370 -4.5387 -4.5387 -0.1971 -0.1971 -0.0578 -0.0578 0.6609 0.6609 0.6741 0.6741 0.7134 0.7134 0.9411 0.9411 1.0025 1.0025 1.0172 1.0172 1.0315 1.0315 1.0654 1.0654 1.4297 1.4297 1.5960 1.5960 3.4095 3.4095 3.5066 3.5066 5.3477 5.3477 6.2845 6.2845 7.1834 7.1834 7.3245 7.3245 8.2741 8.2741 8.9103 8.9103 10.2309 10.2309 10.2810 10.2810 11.5985 11.5985 k = 0.2766 0.4791-0.0000 ( 5719 PWs) bands (ev): -19.8626 -19.8626 -19.8567 -19.8567 -6.6311 -6.6311 -6.6195 -6.6195 -4.7686 -4.7686 -4.7156 -4.7156 -4.6325 -4.6325 -4.5361 -4.5361 -0.2075 -0.2075 -0.0658 -0.0658 0.6611 0.6611 0.6740 0.6740 0.7153 0.7153 0.9364 0.9364 1.0021 1.0021 1.0170 1.0170 1.0321 1.0321 1.0646 1.0646 1.4170 1.4170 1.5774 1.5774 3.4374 3.4374 3.5473 3.5473 5.4138 5.4138 6.2988 6.2988 7.1665 7.1665 7.2890 7.2890 8.2606 8.2606 8.9798 8.9798 10.1744 10.1744 10.2443 10.2443 11.5174 11.5174 k = 0.2695 0.4668-0.0000 ( 5731 PWs) bands (ev): -19.8632 -19.8632 -19.8571 -19.8571 -6.6299 -6.6299 -6.6176 -6.6176 -4.7655 -4.7655 -4.7171 -4.7171 -4.6278 -4.6278 -4.5333 -4.5333 -0.2183 -0.2183 -0.0759 -0.0759 0.6613 0.6613 0.6737 0.6737 0.7172 0.7172 0.9311 0.9311 1.0018 1.0018 1.0166 1.0166 1.0327 1.0327 1.0636 1.0636 1.4031 1.4031 1.5568 1.5568 3.4729 3.4729 3.5931 3.5931 5.4850 5.4850 6.3154 6.3154 7.1497 7.1497 7.2473 7.2473 8.2519 8.2519 9.0535 9.0535 10.1022 10.1022 10.2248 10.2248 11.4323 11.4323 k = 0.2624 0.4545-0.0000 ( 5715 PWs) bands (ev): -19.8637 -19.8637 -19.8577 -19.8577 -6.6285 -6.6285 -6.6155 -6.6155 -4.7618 -4.7618 -4.7184 -4.7184 -4.6230 -4.6230 -4.5304 -4.5304 -0.2295 -0.2295 -0.0882 -0.0882 0.6616 0.6616 0.6733 0.6733 0.7193 0.7193 0.9252 0.9252 1.0014 1.0014 1.0163 1.0163 1.0333 1.0333 1.0625 1.0625 1.3880 1.3880 1.5348 1.5348 3.5160 3.5160 3.6439 3.6439 5.5606 5.5606 6.3343 6.3343 7.1309 7.1309 7.2020 7.2020 8.2480 8.2480 9.1315 9.1315 10.0257 10.0257 10.2121 10.2121 11.3455 11.3455 k = 0.2553 0.4422-0.0000 ( 5715 PWs) bands (ev): -19.8644 -19.8644 -19.8583 -19.8583 -6.6270 -6.6270 -6.6130 -6.6130 -4.7575 -4.7575 -4.7194 -4.7194 -4.6180 -4.6180 -4.5274 -4.5274 -0.2410 -0.2410 -0.1029 -0.1029 0.6618 0.6618 0.6727 0.6727 0.7214 0.7214 0.9187 0.9187 1.0009 1.0009 1.0160 1.0160 1.0337 1.0337 1.0613 1.0613 1.3719 1.3719 1.5120 1.5120 3.5668 3.5668 3.6996 3.6996 5.6402 5.6402 6.3556 6.3556 7.1024 7.1024 7.1620 7.1620 8.2487 8.2487 9.2135 9.2135 9.9480 9.9480 10.2042 10.2042 11.2582 11.2582 k = 0.2482 0.4299-0.0000 ( 5711 PWs) bands (ev): -19.8651 -19.8651 -19.8590 -19.8590 -6.6253 -6.6253 -6.6102 -6.6102 -4.7526 -4.7526 -4.7202 -4.7202 -4.6130 -4.6130 -4.5243 -4.5243 -0.2526 -0.2526 -0.1201 -0.1201 0.6621 0.6621 0.6719 0.6719 0.7235 0.7235 0.9115 0.9115 1.0003 1.0003 1.0156 1.0156 1.0341 1.0341 1.0600 1.0600 1.3548 1.3548 1.4891 1.4891 3.6250 3.6250 3.7600 3.7600 5.7230 5.7230 6.3794 6.3794 7.0538 7.0538 7.1383 7.1383 8.2541 8.2541 9.2993 9.2993 9.8704 9.8704 10.2002 10.2002 11.1711 11.1711 k = 0.2411 0.4177-0.0000 ( 5713 PWs) bands (ev): -19.8658 -19.8658 -19.8597 -19.8597 -6.6234 -6.6234 -6.6072 -6.6072 -4.7472 -4.7472 -4.7208 -4.7208 -4.6077 -4.6077 -4.5212 -4.5212 -0.2643 -0.2643 -0.1397 -0.1397 0.6624 0.6624 0.6711 0.6711 0.7255 0.7255 0.9038 0.9038 0.9996 0.9996 1.0153 1.0153 1.0344 1.0344 1.0585 1.0585 1.3370 1.3370 1.4666 1.4666 3.6906 3.6906 3.8250 3.8250 5.8087 5.8087 6.4057 6.4057 6.9913 6.9913 7.1255 7.1255 8.2640 8.2640 9.3884 9.3884 9.7936 9.7936 10.2001 10.2001 11.0848 11.0848 k = 0.2340 0.4054-0.0000 ( 5725 PWs) bands (ev): -19.8666 -19.8666 -19.8605 -19.8605 -6.6214 -6.6214 -6.6039 -6.6039 -4.7412 -4.7412 -4.7213 -4.7213 -4.6023 -4.6023 -4.5180 -4.5180 -0.2759 -0.2759 -0.1619 -0.1619 0.6626 0.6626 0.6702 0.6702 0.7274 0.7274 0.8955 0.8955 0.9988 0.9988 1.0149 1.0149 1.0346 1.0346 1.0570 1.0570 1.3187 1.3187 1.4450 1.4450 3.7630 3.7630 3.8943 3.8943 5.8969 5.8969 6.4346 6.4346 6.9220 6.9220 7.1178 7.1178 8.2785 8.2785 9.4797 9.4797 9.7192 9.7192 10.2035 10.2035 10.9996 10.9996 k = 0.2270 0.3931-0.0000 ( 5721 PWs) bands (ev): -19.8675 -19.8675 -19.8614 -19.8614 -6.6192 -6.6192 -6.6002 -6.6002 -4.7348 -4.7348 -4.7213 -4.7213 -4.5966 -4.5966 -4.5149 -4.5149 -0.2875 -0.2875 -0.1864 -0.1864 0.6627 0.6627 0.6693 0.6693 0.7292 0.7292 0.8866 0.8866 0.9980 0.9980 1.0145 1.0145 1.0347 1.0347 1.0554 1.0554 1.3001 1.3001 1.4245 1.4245 3.8420 3.8420 3.9680 3.9680 5.9870 5.9870 6.4659 6.4659 6.8483 6.8483 7.1131 7.1131 8.2974 8.2974 9.5643 9.5643 9.6559 9.6559 10.2104 10.2104 10.9157 10.9157 k = 0.2199 0.3808-0.0000 ( 5721 PWs) bands (ev): -19.8685 -19.8685 -19.8623 -19.8623 -6.6169 -6.6169 -6.5963 -6.5963 -4.7288 -4.7288 -4.7204 -4.7204 -4.5907 -4.5907 -4.5118 -4.5118 -0.2991 -0.2991 -0.2131 -0.2131 0.6628 0.6628 0.6683 0.6683 0.7308 0.7308 0.8774 0.8774 0.9971 0.9971 1.0141 1.0141 1.0347 1.0347 1.0537 1.0537 1.2816 1.2816 1.4053 1.4053 3.9274 3.9274 4.0459 4.0459 6.0787 6.0787 6.4995 6.4995 6.7718 6.7718 7.1111 7.1111 8.3208 8.3208 9.5536 9.5536 9.6923 9.6923 10.2206 10.2206 10.8332 10.8332 k = 0.2128 0.3685-0.0000 ( 5717 PWs) bands (ev): -19.8695 -19.8695 -19.8632 -19.8632 -6.6144 -6.6144 -6.5922 -6.5922 -4.7256 -4.7256 -4.7160 -4.7160 -4.5844 -4.5844 -4.5087 -4.5087 -0.3111 -0.3111 -0.2416 -0.2416 0.6626 0.6626 0.6675 0.6675 0.7323 0.7323 0.8677 0.8677 0.9961 0.9961 1.0136 1.0136 1.0347 1.0347 1.0520 1.0520 1.2636 1.2636 1.3875 1.3875 4.0187 4.0187 4.1278 4.1278 6.1716 6.1716 6.5341 6.5341 6.6946 6.6946 7.1115 7.1115 8.3485 8.3485 9.4869 9.4869 9.7890 9.7890 10.2340 10.2340 10.7523 10.7523 k = 0.2057 0.3562-0.0000 ( 5717 PWs) bands (ev): -19.8705 -19.8705 -19.8642 -19.8642 -6.6119 -6.6119 -6.5878 -6.5878 -4.7251 -4.7251 -4.7084 -4.7084 -4.5778 -4.5778 -4.5057 -4.5057 -0.3243 -0.3243 -0.2708 -0.2708 0.6623 0.6623 0.6668 0.6668 0.7336 0.7336 0.8579 0.8579 0.9951 0.9951 1.0131 1.0131 1.0346 1.0346 1.0502 1.0502 1.2462 1.2462 1.3709 1.3709 4.1156 4.1156 4.2137 4.2137 6.2650 6.2650 6.5594 6.5594 6.6280 6.6280 7.1142 7.1142 8.3804 8.3804 9.4178 9.4178 9.8922 9.8922 10.2504 10.2504 10.6731 10.6731 k = 0.1986 0.3440-0.0000 ( 5713 PWs) bands (ev): -19.8716 -19.8716 -19.8653 -19.8653 -6.6092 -6.6092 -6.5832 -6.5832 -4.7254 -4.7254 -4.6995 -4.6995 -4.5709 -4.5709 -4.5027 -4.5027 -0.3412 -0.3412 -0.2980 -0.2980 0.6617 0.6617 0.6662 0.6662 0.7348 0.7348 0.8480 0.8480 0.9940 0.9940 1.0124 1.0124 1.0344 1.0344 1.0485 1.0485 1.2297 1.2297 1.3556 1.3556 4.2179 4.2179 4.3034 4.3034 6.3579 6.3579 6.5147 6.5147 6.6335 6.6335 7.1192 7.1192 8.4166 8.4166 9.3496 9.3496 9.9981 9.9981 10.2695 10.2695 10.5957 10.5957 k = 0.1915 0.3317-0.0000 ( 5721 PWs) bands (ev): -19.8727 -19.8727 -19.8664 -19.8664 -6.6065 -6.6065 -6.5784 -6.5784 -4.7259 -4.7259 -4.6899 -4.6899 -4.5636 -4.5636 -4.4997 -4.4997 -0.3659 -0.3659 -0.3187 -0.3187 0.6609 0.6609 0.6658 0.6658 0.7357 0.7357 0.8381 0.8381 0.9928 0.9928 1.0115 1.0115 1.0343 1.0343 1.0468 1.0468 1.2143 1.2143 1.3413 1.3413 4.3254 4.3254 4.3968 4.3968 6.4227 6.4227 6.4644 6.4644 6.6748 6.6748 7.1265 7.1265 8.4569 8.4569 9.2830 9.2830 10.1054 10.1054 10.2916 10.2916 10.5200 10.5200 k = 0.1844 0.3194-0.0000 ( 5713 PWs) bands (ev): -19.8739 -19.8739 -19.8675 -19.8675 -6.6037 -6.6037 -6.5734 -6.5734 -4.7265 -4.7265 -4.6797 -4.6797 -4.5560 -4.5560 -4.4969 -4.4969 -0.3986 -0.3986 -0.3327 -0.3327 0.6599 0.6599 0.6654 0.6654 0.7365 0.7365 0.8285 0.8285 0.9917 0.9917 1.0105 1.0105 1.0341 1.0341 1.0451 1.0451 1.2000 1.2000 1.3280 1.3280 4.4377 4.4377 4.4939 4.4939 6.3484 6.3484 6.5488 6.5488 6.7223 6.7223 7.1359 7.1359 8.5012 8.5012 9.2183 9.2183 10.2112 10.2112 10.3183 10.3183 10.4463 10.4463 k = 0.1773 0.3071-0.0000 ( 5705 PWs) bands (ev): -19.8751 -19.8751 -19.8686 -19.8686 -6.6009 -6.6009 -6.5683 -6.5683 -4.7274 -4.7274 -4.6689 -4.6689 -4.5480 -4.5480 -4.4941 -4.4941 -0.4357 -0.4357 -0.3432 -0.3432 0.6589 0.6589 0.6650 0.6650 0.7371 0.7371 0.8192 0.8192 0.9905 0.9905 1.0092 1.0092 1.0340 1.0340 1.0435 1.0435 1.1869 1.1869 1.3156 1.3156 4.5547 4.5547 4.5946 4.5946 6.2651 6.2651 6.6401 6.6401 6.7736 6.7736 7.1475 7.1475 8.5496 8.5496 9.1555 9.1555 10.3000 10.3000 10.3601 10.3601 10.3785 10.3785 k = 0.1702 0.2948-0.0000 ( 5705 PWs) bands (ev): -19.8763 -19.8763 -19.8698 -19.8698 -6.5981 -6.5981 -6.5631 -6.5631 -4.7284 -4.7284 -4.6577 -4.6577 -4.5396 -4.5396 -4.4913 -4.4913 -0.4752 -0.4752 -0.3518 -0.3518 0.6578 0.6578 0.6645 0.6645 0.7375 0.7375 0.8103 0.8103 0.9892 0.9892 1.0078 1.0078 1.0339 1.0339 1.0420 1.0420 1.1749 1.1749 1.3041 1.3041 4.6760 4.6760 4.6989 4.6989 6.1813 6.1813 6.7299 6.7299 6.8284 6.8284 7.1612 7.1612 8.6020 8.6020 9.0946 9.0946 10.3029 10.3029 10.3434 10.3434 10.4578 10.4578 k = 0.1631 0.2825-0.0000 ( 5699 PWs) bands (ev): -19.8775 -19.8775 -19.8710 -19.8710 -6.5952 -6.5952 -6.5577 -6.5577 -4.7295 -4.7295 -4.6461 -4.6461 -4.5309 -4.5309 -4.4886 -4.4886 -0.5161 -0.5161 -0.3594 -0.3594 0.6567 0.6567 0.6639 0.6639 0.7377 0.7377 0.8021 0.8021 0.9879 0.9879 1.0060 1.0060 1.0339 1.0339 1.0406 1.0406 1.1640 1.1640 1.2935 1.2935 4.8005 4.8005 4.8077 4.8077 6.0979 6.0979 6.8172 6.8172 6.8866 6.8866 7.1770 7.1770 8.6581 8.6581 9.0357 9.0357 10.2349 10.2349 10.3693 10.3693 10.5664 10.5664 k = 0.1560 0.2702-0.0000 ( 5707 PWs) bands (ev): -19.8788 -19.8788 -19.8722 -19.8722 -6.5924 -6.5924 -6.5524 -6.5524 -4.7307 -4.7307 -4.6342 -4.6342 -4.5219 -4.5219 -4.4859 -4.4859 -0.5579 -0.5579 -0.3661 -0.3661 0.6557 0.6557 0.6630 0.6630 0.7377 0.7377 0.7944 0.7944 0.9866 0.9866 1.0040 1.0040 1.0339 1.0339 1.0393 1.0393 1.1540 1.1540 1.2835 1.2835 4.9161 4.9161 4.9328 4.9328 6.0154 6.0154 6.9006 6.9006 6.9486 6.9487 7.1949 7.1949 8.7181 8.7181 8.9789 8.9789 10.1686 10.1686 10.3898 10.3898 10.6777 10.6777 k = 0.1489 0.2580-0.0000 ( 5713 PWs) bands (ev): -19.8800 -19.8800 -19.8734 -19.8734 -6.5896 -6.5896 -6.5470 -6.5470 -4.7320 -4.7320 -4.6220 -4.6220 -4.5126 -4.5126 -4.4832 -4.4832 -0.6001 -0.6001 -0.3722 -0.3722 0.6546 0.6546 0.6620 0.6620 0.7375 0.7375 0.7875 0.7875 0.9852 0.9852 1.0018 1.0018 1.0340 1.0340 1.0380 1.0380 1.1451 1.1451 1.2743 1.2743 5.0303 5.0303 5.0663 5.0663 5.9340 5.9340 6.9787 6.9787 7.0152 7.0152 7.2149 7.2149 8.7816 8.7816 8.9240 8.9240 10.1042 10.1042 10.4047 10.4047 10.7887 10.7887 k = 0.1418 0.2457-0.0000 ( 5711 PWs) bands (ev): -19.8813 -19.8813 -19.8746 -19.8746 -6.5869 -6.5869 -6.5416 -6.5416 -4.7334 -4.7334 -4.6097 -4.6097 -4.5032 -4.5032 -4.4804 -4.4804 -0.6425 -0.6425 -0.3776 -0.3776 0.6537 0.6537 0.6607 0.6607 0.7371 0.7371 0.7814 0.7814 0.9839 0.9839 0.9993 0.9993 1.0342 1.0342 1.0370 1.0370 1.1370 1.1370 1.2657 1.2657 5.1475 5.1475 5.2040 5.2040 5.8542 5.8542 7.0509 7.0509 7.0855 7.0855 7.2373 7.2373 8.8464 8.8464 8.8733 8.8733 10.0419 10.0419 10.4121 10.4121 10.8980 10.8980 k = 0.1348 0.2334-0.0000 ( 5709 PWs) bands (ev): -19.8825 -19.8825 -19.8758 -19.8758 -6.5843 -6.5843 -6.5362 -6.5362 -4.7349 -4.7349 -4.5974 -4.5974 -4.4935 -4.4935 -4.4776 -4.4776 -0.6847 -0.6847 -0.3824 -0.3824 0.6527 0.6527 0.6593 0.6593 0.7364 0.7364 0.7762 0.7762 0.9825 0.9825 0.9967 0.9967 1.0343 1.0343 1.0361 1.0361 1.1296 1.1296 1.2578 1.2578 5.2676 5.2676 5.3454 5.3454 5.7763 5.7763 7.1188 7.1188 7.1568 7.1568 7.2628 7.2628 8.8182 8.8182 8.9209 8.9209 9.9818 9.9818 10.4091 10.4091 11.0034 11.0034 k = 0.1277 0.2211-0.0000 ( 5697 PWs) bands (ev): -19.8838 -19.8838 -19.8770 -19.8770 -6.5817 -6.5817 -6.5310 -6.5310 -4.7364 -4.7364 -4.5851 -4.5851 -4.4838 -4.4838 -4.4745 -4.4745 -0.7264 -0.7264 -0.3867 -0.3867 0.6518 0.6518 0.6576 0.6576 0.7355 0.7355 0.7720 0.7720 0.9810 0.9810 0.9939 0.9939 1.0342 1.0342 1.0358 1.0358 1.1230 1.1230 1.2505 1.2505 5.3907 5.3907 5.4903 5.4903 5.7004 5.7004 7.1819 7.1819 7.2271 7.2271 7.2928 7.2928 8.7688 8.7688 8.9946 8.9946 9.9239 9.9239 10.3928 10.3928 11.0493 11.0493 k = 0.1206 0.2088-0.0000 ( 5703 PWs) bands (ev): -19.8850 -19.8850 -19.8781 -19.8781 -6.5793 -6.5793 -6.5258 -6.5258 -4.7380 -4.7380 -4.5731 -4.5731 -4.4741 -4.4741 -4.4712 -4.4712 -0.7674 -0.7674 -0.3905 -0.3905 0.6508 0.6508 0.6558 0.6558 0.7342 0.7342 0.7686 0.7686 0.9795 0.9795 0.9909 0.9909 1.0335 1.0335 1.0361 1.0361 1.1169 1.1169 1.2437 1.2437 5.5166 5.5166 5.6245 5.6245 5.6411 5.6411 7.2366 7.2366 7.2970 7.2970 7.3297 7.3297 8.7209 8.7209 9.0719 9.0719 9.8685 9.8685 10.3606 10.3606 10.9819 10.9819 k = 0.1135 0.1965-0.0000 ( 5711 PWs) bands (ev): -19.8862 -19.8862 -19.8793 -19.8793 -6.5769 -6.5769 -6.5208 -6.5208 -4.7396 -4.7396 -4.5616 -4.5616 -4.4679 -4.4679 -4.4639 -4.4639 -0.8074 -0.8074 -0.3938 -0.3938 0.6498 0.6498 0.6540 0.6540 0.7327 0.7327 0.7661 0.7661 0.9780 0.9780 0.9880 0.9880 1.0327 1.0327 1.0367 1.0367 1.1115 1.1115 1.2375 1.2375 5.5557 5.5557 5.6452 5.6452 5.7908 5.7908 7.2798 7.2798 7.3645 7.3645 7.3777 7.3777 8.6746 8.6746 9.1523 9.1523 9.8154 9.8154 10.3110 10.3110 10.9155 10.9155 k = 0.1064 0.1843-0.0000 ( 5707 PWs) bands (ev): -19.8873 -19.8873 -19.8804 -19.8804 -6.5747 -6.5747 -6.5159 -6.5159 -4.7412 -4.7412 -4.5507 -4.5507 -4.4639 -4.4639 -4.4543 -4.4543 -0.8462 -0.8462 -0.3968 -0.3968 0.6485 0.6485 0.6523 0.6523 0.7310 0.7310 0.7644 0.7644 0.9763 0.9763 0.9851 0.9851 1.0320 1.0320 1.0374 1.0374 1.1065 1.1065 1.2318 1.2318 5.4878 5.4878 5.7764 5.7764 5.9457 5.9457 7.3143 7.3143 7.4148 7.4148 7.4483 7.4483 8.6298 8.6298 9.2355 9.2355 9.7647 9.7647 10.2439 10.2439 10.8516 10.8516 k = 0.0993 0.1720-0.0000 ( 5709 PWs) bands (ev): -19.8884 -19.8884 -19.8815 -19.8815 -6.5726 -6.5726 -6.5112 -6.5112 -4.7428 -4.7428 -4.5406 -4.5406 -4.4593 -4.4593 -4.4447 -4.4447 -0.8836 -0.8836 -0.3993 -0.3993 0.6469 0.6469 0.6509 0.6509 0.7291 0.7291 0.7633 0.7633 0.9744 0.9744 0.9823 0.9823 1.0313 1.0313 1.0382 1.0382 1.1020 1.1020 1.2266 1.2266 5.4229 5.4229 5.9101 5.9101 6.1036 6.1036 7.3442 7.3442 7.4589 7.4589 7.5260 7.5260 8.5866 8.5866 9.3213 9.3213 9.7163 9.7163 10.1606 10.1606 10.7905 10.7905 k = 0.0922 0.1597-0.0000 ( 5697 PWs) bands (ev): -19.8895 -19.8895 -19.8825 -19.8825 -6.5706 -6.5706 -6.5067 -6.5067 -4.7443 -4.7443 -4.5316 -4.5316 -4.4541 -4.4541 -4.4354 -4.4354 -0.9194 -0.9194 -0.4015 -0.4015 0.6449 0.6449 0.6499 0.6499 0.7272 0.7272 0.7629 0.7629 0.9724 0.9724 0.9799 0.9799 1.0306 1.0306 1.0391 1.0391 1.0979 1.0979 1.2219 1.2219 5.3613 5.3613 6.0462 6.0462 6.2644 6.2644 7.3716 7.3716 7.4986 7.4986 7.6061 7.6061 8.5452 8.5452 9.4093 9.4093 9.6699 9.6699 10.0630 10.0630 10.7326 10.7326 k = 0.0851 0.1474-0.0000 ( 5691 PWs) bands (ev): -19.8905 -19.8905 -19.8835 -19.8835 -6.5688 -6.5688 -6.5025 -6.5025 -4.7458 -4.7458 -4.5238 -4.5238 -4.4481 -4.4481 -4.4264 -4.4264 -0.9533 -0.9533 -0.4034 -0.4034 0.6427 0.6427 0.6492 0.6492 0.7253 0.7253 0.7628 0.7628 0.9701 0.9701 0.9778 0.9778 1.0300 1.0300 1.0400 1.0400 1.0942 1.0942 1.2177 1.2177 5.3033 5.3033 6.1844 6.1844 6.4279 6.4279 7.3976 7.3976 7.5334 7.5334 7.6879 7.6879 8.5056 8.5056 9.4992 9.4992 9.6252 9.6252 9.9533 9.9533 10.6780 10.6780 k = 0.0780 0.1351-0.0000 ( 5691 PWs) bands (ev): -19.8915 -19.8915 -19.8844 -19.8844 -6.5672 -6.5672 -6.4985 -6.4985 -4.7472 -4.7472 -4.5172 -4.5172 -4.4416 -4.4416 -4.4177 -4.4177 -0.9853 -0.9853 -0.4050 -0.4050 0.6403 0.6403 0.6486 0.6486 0.7234 0.7234 0.7631 0.7631 0.9675 0.9675 0.9760 0.9760 1.0294 1.0294 1.0410 1.0410 1.0908 1.0908 1.2138 1.2138 5.2491 5.2491 6.3246 6.3246 6.5939 6.5939 7.4224 7.4224 7.5634 7.5634 7.7707 7.7707 8.4681 8.4681 9.5795 9.5795 9.5924 9.5924 9.8334 9.8334 10.6263 10.6263 k = 0.0709 0.1228-0.0000 ( 5695 PWs) bands (ev): -19.8924 -19.8924 -19.8852 -19.8852 -6.5657 -6.5657 -6.4949 -6.4949 -4.7485 -4.7485 -4.5118 -4.5118 -4.4345 -4.4345 -4.4095 -4.4095 -1.0150 -1.0150 -0.4064 -0.4064 0.6380 0.6380 0.6481 0.6481 0.7217 0.7217 0.7636 0.7636 0.9649 0.9649 0.9746 0.9746 1.0288 1.0288 1.0420 1.0420 1.0878 1.0878 1.2104 1.2104 5.1989 5.1989 6.4664 6.4664 6.7621 6.7621 7.4459 7.4459 7.5887 7.5887 7.8540 7.8540 8.4328 8.4328 9.5372 9.5372 9.6831 9.6831 9.7055 9.7055 10.5745 10.5745 k = 0.0638 0.1106-0.0000 ( 5687 PWs) bands (ev): -19.8932 -19.8932 -19.8860 -19.8860 -6.5643 -6.5643 -6.4915 -6.4915 -4.7498 -4.7498 -4.5075 -4.5075 -4.4272 -4.4272 -4.4018 -4.4018 -1.0425 -1.0425 -0.4075 -0.4075 0.6358 0.6358 0.6477 0.6477 0.7201 0.7201 0.7642 0.7642 0.9622 0.9622 0.9734 0.9734 1.0283 1.0283 1.0430 1.0430 1.0850 1.0850 1.2074 1.2074 5.1528 5.1528 6.6095 6.6095 6.9322 6.9322 7.4682 7.4682 7.6097 7.6097 7.9371 7.9371 8.4001 8.4001 9.4916 9.4916 9.5717 9.5717 9.7753 9.7753 10.4948 10.4948 k = 0.0567 0.0983-0.0000 ( 5687 PWs) bands (ev): -19.8939 -19.8939 -19.8867 -19.8867 -6.5631 -6.5631 -6.4884 -6.4884 -4.7509 -4.7509 -4.5040 -4.5040 -4.4199 -4.4199 -4.3948 -4.3948 -1.0674 -1.0674 -0.4085 -0.4085 0.6337 0.6337 0.6473 0.6473 0.7186 0.7186 0.7650 0.7650 0.9597 0.9597 0.9724 0.9724 1.0278 1.0278 1.0440 1.0440 1.0825 1.0825 1.2048 1.2048 5.1111 5.1111 6.7536 6.7536 7.1035 7.1035 7.4892 7.4892 7.6270 7.6270 8.0192 8.0192 8.3703 8.3703 9.4256 9.4256 9.4504 9.4504 9.8665 9.8665 10.3947 10.3947 k = 0.0496 0.0860-0.0000 ( 5691 PWs) bands (ev): -19.8946 -19.8946 -19.8874 -19.8874 -6.5620 -6.5620 -6.4856 -6.4856 -4.7519 -4.7519 -4.5013 -4.5013 -4.4129 -4.4129 -4.3883 -4.3883 -1.0898 -1.0898 -0.4092 -0.4092 0.6317 0.6317 0.6470 0.6470 0.7173 0.7173 0.7658 0.7658 0.9572 0.9572 0.9715 0.9715 1.0273 1.0273 1.0450 1.0450 1.0802 1.0802 1.2025 1.2025 5.0739 5.0739 6.8978 6.8978 7.2751 7.2751 7.5092 7.5092 7.6412 7.6412 8.0991 8.0991 8.3439 8.3439 9.2878 9.2878 9.3920 9.3920 9.9552 9.9552 10.2971 10.2971 k = 0.0426 0.0737-0.0000 ( 5699 PWs) bands (ev): -19.8952 -19.8952 -19.8880 -19.8880 -6.5611 -6.5611 -6.4832 -6.4832 -4.7528 -4.7528 -4.4991 -4.4991 -4.4064 -4.4064 -4.3826 -4.3826 -1.1095 -1.1095 -0.4099 -0.4099 0.6300 0.6300 0.6468 0.6468 0.7162 0.7162 0.7665 0.7665 0.9550 0.9550 0.9707 0.9707 1.0269 1.0269 1.0459 1.0459 1.0782 1.0782 1.2005 1.2005 5.0413 5.0413 7.0412 7.0412 7.4419 7.4419 7.5315 7.5315 7.6533 7.6533 8.1754 8.1754 8.3215 8.3215 9.1447 9.1447 9.3284 9.3284 10.0385 10.0385 10.2057 10.2057 k = 0.0355 0.0614-0.0000 ( 5695 PWs) bands (ev): -19.8957 -19.8957 -19.8884 -19.8884 -6.5603 -6.5603 -6.4812 -6.4812 -4.7536 -4.7536 -4.4975 -4.4975 -4.4005 -4.4005 -4.3777 -4.3777 -1.1263 -1.1263 -0.4103 -0.4103 0.6285 0.6285 0.6466 0.6466 0.7152 0.7152 0.7673 0.7673 0.9531 0.9531 0.9701 0.9701 1.0265 1.0265 1.0467 1.0467 1.0765 1.0765 1.1989 1.1989 5.0135 5.0135 7.1823 7.1823 7.5301 7.5301 7.6203 7.6203 7.6718 7.6718 8.2447 8.2447 8.3058 8.3058 9.0022 9.0022 9.2515 9.2515 10.0968 10.0968 10.1340 10.1340 k = 0.0284 0.0491-0.0000 ( 5697 PWs) bands (ev): -19.8961 -19.8961 -19.8888 -19.8888 -6.5597 -6.5597 -6.4795 -6.4795 -4.7543 -4.7543 -4.4962 -4.4962 -4.3956 -4.3956 -4.3736 -4.3736 -1.1401 -1.1401 -0.4107 -0.4107 0.6272 0.6272 0.6464 0.6464 0.7144 0.7144 0.7680 0.7680 0.9515 0.9515 0.9696 0.9696 1.0262 1.0262 1.0475 1.0475 1.0751 1.0751 1.1976 1.1976 4.9906 4.9906 7.3184 7.3184 7.5473 7.5473 7.6624 7.6624 7.8002 7.8002 8.2803 8.2803 8.3230 8.3230 8.8637 8.8637 9.1579 9.1579 10.0357 10.0357 10.0760 10.0760 k = 0.0213 0.0369-0.0000 ( 5691 PWs) bands (ev): -19.8964 -19.8964 -19.8892 -19.8892 -6.5592 -6.5592 -6.4782 -6.4782 -4.7548 -4.7548 -4.4953 -4.4953 -4.3916 -4.3916 -4.3704 -4.3704 -1.1510 -1.1510 -0.4110 -0.4110 0.6262 0.6262 0.6463 0.6463 0.7137 0.7137 0.7685 0.7685 0.9502 0.9502 0.9693 0.9693 1.0260 1.0260 1.0481 1.0481 1.0739 1.0739 1.1966 1.1966 4.9727 4.9727 7.4446 7.4446 7.5583 7.5583 7.6707 7.6707 7.9552 7.9552 8.2820 8.2820 8.3755 8.3755 8.7339 8.7339 9.0470 9.0470 9.9654 9.9654 10.0023 10.0023 k = 0.0142 0.0246-0.0000 ( 5667 PWs) bands (ev): -19.8967 -19.8967 -19.8894 -19.8894 -6.5588 -6.5588 -6.4772 -6.4772 -4.7551 -4.7551 -4.4947 -4.4947 -4.3886 -4.3886 -4.3681 -4.3681 -1.1588 -1.1588 -0.4112 -0.4112 0.6255 0.6255 0.6463 0.6463 0.7133 0.7133 0.7690 0.7690 0.9493 0.9493 0.9691 0.9691 1.0258 1.0258 1.0486 1.0486 1.0731 1.0731 1.1960 1.1960 4.9598 4.9598 7.5504 7.5504 7.5664 7.5664 7.6793 7.6793 8.0839 8.0839 8.3003 8.3003 8.4237 8.4237 8.6211 8.6211 8.9233 8.9233 9.9102 9.9102 9.9526 9.9526 k = 0.0071 0.0123-0.0000 ( 5661 PWs) bands (ev): -19.8968 -19.8968 -19.8895 -19.8895 -6.5586 -6.5586 -6.4767 -6.4767 -4.7553 -4.7553 -4.4943 -4.4943 -4.3869 -4.3869 -4.3667 -4.3667 -1.1635 -1.1635 -0.4113 -0.4113 0.6251 0.6251 0.6462 0.6462 0.7130 0.7130 0.7692 0.7692 0.9487 0.9487 0.9689 0.9689 1.0257 1.0257 1.0489 1.0489 1.0726 1.0726 1.1956 1.1956 4.9521 4.9521 7.5702 7.5702 7.6177 7.6177 7.6953 7.6953 8.1527 8.1527 8.3488 8.3488 8.4714 8.4714 8.5397 8.5397 8.8011 8.8011 9.8764 9.8764 9.9233 9.9233 k = 0.0000 0.0000 0.0000 ( 5661 PWs) bands (ev): -19.8969 -19.8969 -19.8896 -19.8896 -6.5585 -6.5585 -6.4765 -6.4765 -4.7554 -4.7554 -4.4942 -4.4942 -4.3863 -4.3863 -4.3662 -4.3662 -1.1651 -1.1651 -0.4113 -0.4113 0.6249 0.6249 0.6462 0.6462 0.7130 0.7130 0.7693 0.7693 0.9485 0.9485 0.9688 0.9688 1.0257 1.0257 1.0491 1.0491 1.0724 1.0724 1.1954 1.1954 4.9495 4.9495 7.5718 7.5718 7.6354 7.6354 7.7086 7.7086 8.1689 8.1689 8.3769 8.3769 8.5083 8.5083 8.5091 8.5091 8.7339 8.7339 9.8651 9.8651 9.9135 9.9135 k = 0.0000 0.0000 0.0000 ( 5661 PWs) bands (ev): -19.8969 -19.8969 -19.8896 -19.8896 -6.5585 -6.5585 -6.4765 -6.4765 -4.7554 -4.7554 -4.4942 -4.4942 -4.3863 -4.3863 -4.3662 -4.3662 -1.1651 -1.1651 -0.4113 -0.4113 0.6249 0.6249 0.6462 0.6462 0.7130 0.7130 0.7693 0.7693 0.9485 0.9485 0.9688 0.9688 1.0257 1.0257 1.0491 1.0491 1.0724 1.0724 1.1954 1.1954 4.9495 4.9495 7.5718 7.5718 7.6354 7.6354 7.7086 7.7086 8.1689 8.1689 8.3769 8.3769 8.5083 8.5083 8.5091 8.5091 8.7339 8.7339 9.8651 9.8651 9.9135 9.9135 k = 0.0000 0.0000 0.0136 ( 5673 PWs) bands (ev): -19.8968 -19.8968 -19.8896 -19.8896 -6.5584 -6.5584 -6.4766 -6.4766 -4.7550 -4.7550 -4.4949 -4.4949 -4.3862 -4.3862 -4.3662 -4.3662 -1.1635 -1.1635 -0.4129 -0.4129 0.6250 0.6250 0.6462 0.6462 0.7130 0.7130 0.7691 0.7691 0.9486 0.9486 0.9688 0.9688 1.0257 1.0257 1.0490 1.0490 1.0726 1.0726 1.1949 1.1949 4.9533 4.9533 7.5481 7.5481 7.6365 7.6365 7.7097 7.7097 8.1916 8.1916 8.3748 8.3748 8.5053 8.5053 8.5097 8.5097 8.7337 8.7337 9.8671 9.8671 9.9156 9.9156 k = 0.0000 0.0000 0.0272 ( 5673 PWs) bands (ev): -19.8968 -19.8968 -19.8896 -19.8896 -6.5578 -6.5578 -6.4771 -6.4771 -4.7536 -4.7536 -4.4969 -4.4969 -4.3861 -4.3861 -4.3664 -4.3664 -1.1585 -1.1585 -0.4176 -0.4176 0.6251 0.6251 0.6460 0.6460 0.7133 0.7133 0.7687 0.7687 0.9487 0.9487 0.9687 0.9687 1.0259 1.0259 1.0488 1.0488 1.0730 1.0730 1.1934 1.1934 4.9645 4.9645 7.4855 7.4855 7.6397 7.6397 7.7131 7.7131 8.2501 8.2501 8.3698 8.3698 8.4963 8.4963 8.5112 8.5112 8.7332 8.7332 9.8731 9.8731 9.9219 9.9219 k = 0.0000 0.0000 0.0407 ( 5679 PWs) bands (ev): -19.8967 -19.8967 -19.8897 -19.8897 -6.5569 -6.5569 -6.4779 -6.4779 -4.7513 -4.7513 -4.5003 -4.5003 -4.3859 -4.3859 -4.3666 -4.3666 -1.1503 -1.1503 -0.4253 -0.4253 0.6253 0.6253 0.6458 0.6458 0.7137 0.7137 0.7678 0.7678 0.9489 0.9489 0.9685 0.9685 1.0261 1.0261 1.0486 1.0486 1.0737 1.0737 1.1910 1.1910 4.9831 4.9831 7.3994 7.3994 7.6451 7.6451 7.7187 7.7187 8.3164 8.3164 8.3746 8.3746 8.4817 8.4817 8.5139 8.5139 8.7324 8.7324 9.8831 9.8831 9.9323 9.9323 k = 0.0000 0.0000 0.0543 ( 5685 PWs) bands (ev): -19.8966 -19.8966 -19.8898 -19.8898 -6.5556 -6.5556 -6.4791 -6.4791 -4.7482 -4.7482 -4.5050 -4.5050 -4.3856 -4.3856 -4.3669 -4.3669 -1.1388 -1.1388 -0.4360 -0.4360 0.6256 0.6256 0.6455 0.6455 0.7143 0.7143 0.7667 0.7667 0.9492 0.9492 0.9681 0.9681 1.0264 1.0264 1.0482 1.0482 1.0746 1.0746 1.1878 1.1878 5.0089 5.0089 7.3003 7.3003 7.6526 7.6526 7.7266 7.7266 8.3252 8.3252 8.4442 8.4442 8.4620 8.4620 8.5175 8.5175 8.7317 8.7317 9.8970 9.8970 9.9468 9.9468 k = 0.0000 0.0000 0.0679 ( 5673 PWs) bands (ev): -19.8965 -19.8965 -19.8900 -19.8900 -6.5540 -6.5540 -6.4805 -6.4805 -4.7442 -4.7442 -4.5108 -4.5108 -4.3852 -4.3852 -4.3672 -4.3672 -1.1244 -1.1244 -0.4497 -0.4497 0.6260 0.6260 0.6451 0.6451 0.7151 0.7151 0.7654 0.7654 0.9496 0.9496 0.9678 0.9678 1.0269 1.0269 1.0478 1.0478 1.0759 1.0759 1.1838 1.1838 5.0418 5.0418 7.1941 7.1941 7.6622 7.6622 7.7367 7.7367 8.3079 8.3079 8.4378 8.4378 8.5222 8.5222 8.5406 8.5406 8.7322 8.7322 9.9148 9.9148 9.9654 9.9654 k = 0.0000 0.0000 0.0815 ( 5667 PWs) bands (ev): -19.8963 -19.8963 -19.8901 -19.8901 -6.5520 -6.5520 -6.4822 -6.4822 -4.7393 -4.7393 -4.5178 -4.5178 -4.3848 -4.3848 -4.3677 -4.3677 -1.1069 -1.1069 -0.4661 -0.4661 0.6265 0.6265 0.6446 0.6446 0.7161 0.7161 0.7638 0.7638 0.9501 0.9501 0.9673 0.9673 1.0274 1.0274 1.0473 1.0473 1.0775 1.0775 1.1792 1.1792 5.0816 5.0816 7.0841 7.0841 7.6739 7.6739 7.7489 7.7489 8.2845 8.2845 8.4098 8.4098 8.5278 8.5278 8.6351 8.6351 8.7400 8.7400 9.9366 9.9366 9.9881 9.9881 k = 0.0000 0.0000 0.0950 ( 5667 PWs) bands (ev): -19.8961 -19.8961 -19.8903 -19.8903 -6.5498 -6.5498 -6.4843 -6.4843 -4.7335 -4.7335 -4.5259 -4.5259 -4.3842 -4.3842 -4.3682 -4.3682 -1.0867 -1.0867 -0.4853 -0.4853 0.6270 0.6270 0.6441 0.6441 0.7172 0.7172 0.7619 0.7619 0.9506 0.9506 0.9668 0.9668 1.0280 1.0280 1.0467 1.0467 1.0793 1.0793 1.1740 1.1740 5.1280 5.1280 6.9720 6.9720 7.6877 7.6877 7.7634 7.7634 8.2576 8.2576 8.3786 8.3786 8.5343 8.5343 8.6906 8.6906 8.7887 8.7887 9.9622 9.9622 10.0149 10.0149 k = 0.0000 0.0000 0.1086 ( 5679 PWs) bands (ev): -19.8959 -19.8959 -19.8905 -19.8905 -6.5472 -6.5472 -6.4866 -6.4866 -4.7270 -4.7270 -4.5349 -4.5349 -4.3837 -4.3837 -4.3688 -4.3688 -1.0640 -1.0640 -0.5071 -0.5071 0.6277 0.6277 0.6434 0.6434 0.7185 0.7185 0.7598 0.7598 0.9512 0.9512 0.9661 0.9661 1.0287 1.0287 1.0460 1.0460 1.0815 1.0815 1.1683 1.1683 5.1807 5.1807 6.8590 6.8590 7.7035 7.7035 7.7800 7.7800 8.2280 8.2280 8.3451 8.3451 8.5416 8.5416 8.6992 8.6992 8.8847 8.8847 9.9916 9.9916 10.0456 10.0456 k = 0.0000 0.0000 0.1222 ( 5691 PWs) bands (ev): -19.8957 -19.8957 -19.8908 -19.8908 -6.5444 -6.5444 -6.4891 -6.4891 -4.7196 -4.7196 -4.5447 -4.5447 -4.3830 -4.3830 -4.3695 -4.3695 -1.0388 -1.0388 -0.5312 -0.5312 0.6284 0.6284 0.6427 0.6427 0.7199 0.7199 0.7575 0.7575 0.9518 0.9518 0.9655 0.9655 1.0295 1.0295 1.0452 1.0452 1.0839 1.0839 1.1623 1.1623 5.2395 5.2395 6.7459 6.7459 7.7213 7.7213 7.7987 7.7987 8.1964 8.1964 8.3097 8.3097 8.5497 8.5497 8.6972 8.6972 8.9911 8.9911 10.0246 10.0246 10.0804 10.0804 k = 0.0000 0.0000 0.1358 ( 5673 PWs) bands (ev): -19.8954 -19.8954 -19.8910 -19.8910 -6.5414 -6.5414 -6.4919 -6.4919 -4.7115 -4.7115 -4.5552 -4.5552 -4.3823 -4.3823 -4.3702 -4.3702 -1.0116 -1.0116 -0.5575 -0.5575 0.6291 0.6291 0.6419 0.6419 0.7215 0.7215 0.7551 0.7551 0.9526 0.9526 0.9648 0.9648 1.0303 1.0303 1.0445 1.0445 1.0867 1.0867 1.1562 1.1562 5.3041 5.3041 6.6332 6.6332 7.7411 7.7411 7.8195 7.8195 8.1635 8.1635 8.2731 8.2731 8.5585 8.5585 8.6923 8.6923 9.0999 9.0999 10.0611 10.0611 10.1191 10.1191 k = 0.0000 0.0000 0.1493 ( 5655 PWs) bands (ev): -19.8951 -19.8951 -19.8913 -19.8913 -6.5381 -6.5381 -6.4949 -6.4949 -4.7027 -4.7027 -4.5663 -4.5663 -4.3815 -4.3815 -4.3710 -4.3710 -0.9824 -0.9824 -0.5857 -0.5857 0.6299 0.6299 0.6411 0.6411 0.7233 0.7233 0.7527 0.7527 0.9533 0.9533 0.9640 0.9640 1.0312 1.0312 1.0436 1.0436 1.0898 1.0898 1.1501 1.1501 5.3740 5.3740 6.5214 6.5214 7.7627 7.7627 7.8423 7.8423 8.1296 8.1296 8.2358 8.2358 8.5678 8.5678 8.6859 8.6859 9.2095 9.2095 10.1004 10.1004 10.1616 10.1616 k = 0.0000 0.0000 0.1629 ( 5655 PWs) bands (ev): -19.8948 -19.8948 -19.8916 -19.8916 -6.5347 -6.5347 -6.4981 -6.4981 -4.6933 -4.6933 -4.5779 -4.5779 -4.3807 -4.3807 -4.3718 -4.3718 -0.9516 -0.9516 -0.6157 -0.6157 0.6308 0.6308 0.6403 0.6403 0.7253 0.7253 0.7500 0.7500 0.9542 0.9542 0.9632 0.9632 1.0322 1.0322 1.0426 1.0426 1.0932 1.0932 1.1439 1.1439 5.4491 5.4491 6.4109 6.4109 7.7861 7.7861 7.8670 7.8670 8.0952 8.0952 8.1981 8.1981 8.5777 8.5777 8.6784 8.6784 9.3194 9.3194 10.1410 10.1410 10.2080 10.2080 k = 0.0000 0.0000 0.1765 ( 5667 PWs) bands (ev): -19.8945 -19.8945 -19.8919 -19.8919 -6.5312 -6.5312 -6.5015 -6.5015 -4.6832 -4.6832 -4.5897 -4.5897 -4.3799 -4.3799 -4.3726 -4.3726 -0.9194 -0.9194 -0.6472 -0.6472 0.6317 0.6317 0.6393 0.6393 0.7273 0.7273 0.7473 0.7473 0.9550 0.9550 0.9623 0.9623 1.0331 1.0331 1.0416 1.0416 1.0970 1.0970 1.1377 1.1377 5.5290 5.5290 6.3021 6.3021 7.8113 7.8113 7.8936 7.8936 8.0607 8.0607 8.1606 8.1606 8.5880 8.5880 8.6700 8.6700 9.4292 9.4292 10.1752 10.1752 10.2581 10.2581 k = 0.0000 0.0000 0.1901 ( 5667 PWs) bands (ev): -19.8942 -19.8942 -19.8922 -19.8922 -6.5275 -6.5275 -6.5050 -6.5050 -4.6726 -4.6726 -4.6018 -4.6018 -4.3790 -4.3790 -4.3735 -4.3735 -0.8861 -0.8861 -0.6799 -0.6799 0.6326 0.6326 0.6384 0.6384 0.7295 0.7295 0.7447 0.7447 0.9559 0.9559 0.9614 0.9614 1.0342 1.0342 1.0406 1.0406 1.1010 1.1010 1.1317 1.1317 5.6133 5.6133 6.1953 6.1953 7.8381 7.8381 7.9220 7.9220 8.0264 8.0264 8.1234 8.1234 8.5985 8.5985 8.6609 8.6609 9.5390 9.5390 10.1607 10.1607 10.2982 10.2982 k = 0.0000 0.0000 0.2037 ( 5661 PWs) bands (ev): -19.8939 -19.8939 -19.8925 -19.8925 -6.5237 -6.5237 -6.5086 -6.5086 -4.6615 -4.6615 -4.6140 -4.6140 -4.3781 -4.3781 -4.3744 -4.3744 -0.8520 -0.8520 -0.7136 -0.7136 0.6336 0.6336 0.6374 0.6374 0.7318 0.7318 0.7420 0.7420 0.9568 0.9568 0.9605 0.9605 1.0352 1.0352 1.0395 1.0395 1.1054 1.1054 1.1259 1.1259 5.7017 5.7017 6.0907 6.0907 7.8665 7.8665 7.9521 7.9521 7.9926 7.9926 8.0869 8.0869 8.6092 8.6092 8.6512 8.6512 9.6485 9.6485 10.0758 10.0758 10.3306 10.3306 k = 0.0000 0.0000 0.2172 ( 5673 PWs) bands (ev): -19.8936 -19.8936 -19.8929 -19.8929 -6.5199 -6.5199 -6.5124 -6.5124 -4.6500 -4.6500 -4.6262 -4.6262 -4.3772 -4.3772 -4.3753 -4.3753 -0.8174 -0.8174 -0.7479 -0.7479 0.6345 0.6345 0.6365 0.6365 0.7342 0.7342 0.7393 0.7393 0.9577 0.9577 0.9596 0.9596 1.0363 1.0363 1.0384 1.0384 1.1101 1.1101 1.1203 1.1203 5.7940 5.7940 5.9888 5.9888 7.8963 7.8963 7.9595 7.9595 7.9838 7.9838 8.0513 8.0513 8.6200 8.6200 8.6411 8.6411 9.7576 9.7576 9.9730 9.9730 10.3838 10.3838 k = 0.0000 0.0000 0.2308 ( 5690 PWs) bands (ev): -19.8932 -19.8932 -19.8932 -19.8932 -6.5161 -6.5161 -6.5161 -6.5161 -4.6382 -4.6382 -4.6382 -4.6382 -4.3763 -4.3763 -4.3763 -4.3763 -0.7826 -0.7826 -0.7826 -0.7826 0.6355 0.6355 0.6355 0.6355 0.7367 0.7367 0.7367 0.7367 0.9586 0.9586 0.9586 0.9586 1.0373 1.0373 1.0373 1.0373 1.1150 1.1150 1.1150 1.1150 5.8898 5.8898 5.8898 5.8898 7.9273 7.9273 7.9273 7.9273 8.0169 8.0169 8.0169 8.0169 8.6306 8.6306 8.6306 8.6306 9.8660 9.8660 9.8660 9.8660 10.4439 10.4439 k = 0.0000 0.0000 0.2308 ( 5690 PWs) bands (ev): -19.8932 -19.8932 -19.8932 -19.8932 -6.5161 -6.5161 -6.5161 -6.5161 -4.6382 -4.6382 -4.6382 -4.6382 -4.3763 -4.3763 -4.3763 -4.3763 -0.7826 -0.7826 -0.7826 -0.7826 0.6355 0.6355 0.6355 0.6355 0.7367 0.7367 0.7367 0.7367 0.9586 0.9586 0.9586 0.9586 1.0373 1.0373 1.0373 1.0373 1.1150 1.1150 1.1150 1.1150 5.8898 5.8898 5.8898 5.8898 7.9273 7.9273 7.9273 7.9273 8.0169 8.0169 8.0169 8.0169 8.6306 8.6306 8.6306 8.6306 9.8660 9.8660 9.8660 9.8660 10.4439 10.4439 k = 0.0122 0.0070 0.2308 ( 5664 PWs) bands (ev): -19.8932 -19.8932 -19.8932 -19.8932 -6.5163 -6.5163 -6.5163 -6.5163 -4.6382 -4.6382 -4.6382 -4.6382 -4.3768 -4.3768 -4.3768 -4.3768 -0.7818 -0.7818 -0.7818 -0.7818 0.6356 0.6356 0.6356 0.6356 0.7368 0.7368 0.7368 0.7368 0.9588 0.9588 0.9588 0.9588 1.0373 1.0373 1.0373 1.0373 1.1152 1.1152 1.1152 1.1152 5.8910 5.8910 5.8910 5.8910 7.9049 7.9049 7.9049 7.9049 7.9987 7.9987 7.9987 7.9987 8.6675 8.6675 8.6675 8.6675 9.8605 9.8605 9.8605 9.8605 10.4461 10.4461 k = 0.0244 0.0141 0.2308 ( 5660 PWs) bands (ev): -19.8930 -19.8930 -19.8930 -19.8930 -6.5167 -6.5167 -6.5167 -6.5167 -4.6382 -4.6382 -4.6382 -4.6382 -4.3783 -4.3783 -4.3783 -4.3783 -0.7793 -0.7793 -0.7793 -0.7793 0.6358 0.6358 0.6358 0.6358 0.7369 0.7369 0.7369 0.7369 0.9591 0.9591 0.9591 0.9591 1.0372 1.0372 1.0372 1.0372 1.1158 1.1158 1.1158 1.1158 5.8945 5.8945 5.8945 5.8945 7.8264 7.8264 7.8264 7.8264 7.9742 7.9742 7.9742 7.9742 8.7594 8.7594 8.7594 8.7594 9.8449 9.8449 9.8449 9.8449 10.4508 10.4508 k = 0.0366 0.0211 0.2308 ( 5674 PWs) bands (ev): -19.8928 -19.8928 -19.8928 -19.8928 -6.5173 -6.5173 -6.5173 -6.5173 -4.6383 -4.6383 -4.6383 -4.6383 -4.3807 -4.3807 -4.3807 -4.3807 -0.7751 -0.7751 -0.7751 -0.7751 0.6361 0.6361 0.6361 0.6361 0.7371 0.7371 0.7371 0.7371 0.9596 0.9596 0.9596 0.9596 1.0370 1.0370 1.0370 1.0370 1.1166 1.1166 1.1166 1.1166 5.9003 5.9003 5.9003 5.9003 7.7071 7.7071 7.7071 7.7071 7.9557 7.9557 7.9557 7.9557 8.8780 8.8780 8.8780 8.8780 9.8218 9.8218 9.8218 9.8218 10.4555 10.4555 k = 0.0488 0.0282 0.2308 ( 5658 PWs) bands (ev): -19.8925 -19.8925 -19.8925 -19.8925 -6.5182 -6.5182 -6.5182 -6.5182 -4.6385 -4.6385 -4.6385 -4.6385 -4.3842 -4.3842 -4.3842 -4.3842 -0.7693 -0.7693 -0.7693 -0.7693 0.6366 0.6366 0.6366 0.6366 0.7374 0.7374 0.7374 0.7374 0.9604 0.9604 0.9604 0.9604 1.0368 1.0368 1.0368 1.0368 1.1179 1.1179 1.1179 1.1179 5.9082 5.9082 5.9082 5.9082 7.5701 7.5701 7.5701 7.5701 7.9365 7.9365 7.9365 7.9365 9.0060 9.0060 9.0060 9.0060 9.7949 9.7949 9.7949 9.7949 10.4595 10.4595 k = 0.0610 0.0352 0.2308 ( 5670 PWs) bands (ev): -19.8921 -19.8921 -19.8921 -19.8921 -6.5194 -6.5194 -6.5194 -6.5194 -4.6386 -4.6386 -4.6386 -4.6386 -4.3885 -4.3885 -4.3885 -4.3885 -0.7618 -0.7618 -0.7618 -0.7618 0.6373 0.6373 0.6373 0.6373 0.7377 0.7377 0.7377 0.7377 0.9613 0.9613 0.9613 0.9613 1.0365 1.0365 1.0365 1.0365 1.1195 1.1195 1.1195 1.1195 5.9179 5.9179 5.9179 5.9179 7.4255 7.4255 7.4255 7.4255 7.9141 7.9141 7.9141 7.9141 9.1334 9.1334 9.1334 9.1334 9.7687 9.7687 9.7687 9.7687 10.4636 10.4636 k = 0.0732 0.0422 0.2308 ( 5662 PWs) bands (ev): -19.8916 -19.8916 -19.8916 -19.8916 -6.5208 -6.5208 -6.5208 -6.5208 -4.6389 -4.6389 -4.6389 -4.6389 -4.3937 -4.3937 -4.3937 -4.3937 -0.7528 -0.7528 -0.7528 -0.7528 0.6380 0.6380 0.6380 0.6380 0.7381 0.7381 0.7381 0.7381 0.9625 0.9625 0.9625 0.9625 1.0362 1.0362 1.0362 1.0362 1.1214 1.1214 1.1214 1.1214 5.9290 5.9290 5.9290 5.9290 7.2781 7.2781 7.2781 7.2781 7.8881 7.8881 7.8881 7.8881 9.2506 9.2506 9.2506 9.2506 9.7504 9.7504 9.7504 9.7504 10.4676 10.4676 k = 0.0854 0.0493 0.2308 ( 5666 PWs) bands (ev): -19.8910 -19.8910 -19.8910 -19.8910 -6.5224 -6.5224 -6.5224 -6.5224 -4.6392 -4.6392 -4.6392 -4.6392 -4.3996 -4.3996 -4.3996 -4.3996 -0.7423 -0.7423 -0.7423 -0.7423 0.6389 0.6389 0.6389 0.6389 0.7386 0.7386 0.7386 0.7386 0.9638 0.9638 0.9638 0.9638 1.0358 1.0358 1.0358 1.0358 1.1237 1.1237 1.1237 1.1237 5.9407 5.9407 5.9407 5.9407 7.1307 7.1307 7.1307 7.1307 7.8586 7.8586 7.8586 7.8586 9.3434 9.3434 9.3434 9.3434 9.7525 9.7525 9.7525 9.7525 10.4665 10.4665 k = 0.0976 0.0563 0.2308 ( 5674 PWs) bands (ev): -19.8904 -19.8904 -19.8904 -19.8904 -6.5243 -6.5243 -6.5243 -6.5243 -4.6396 -4.6396 -4.6396 -4.6396 -4.4063 -4.4063 -4.4063 -4.4063 -0.7303 -0.7303 -0.7303 -0.7303 0.6399 0.6399 0.6399 0.6399 0.7392 0.7392 0.7392 0.7392 0.9654 0.9654 0.9654 0.9654 1.0355 1.0355 1.0355 1.0355 1.1264 1.1264 1.1264 1.1264 5.9520 5.9520 5.9520 5.9520 6.9856 6.9856 6.9856 6.9856 7.8258 7.8258 7.8258 7.8258 9.3942 9.3942 9.3942 9.3942 9.7914 9.7914 9.7914 9.7914 10.4482 10.4482 k = 0.1098 0.0634 0.2308 ( 5678 PWs) bands (ev): -19.8897 -19.8897 -19.8897 -19.8897 -6.5265 -6.5265 -6.5265 -6.5265 -4.6402 -4.6402 -4.6402 -4.6402 -4.4136 -4.4136 -4.4136 -4.4136 -0.7169 -0.7169 -0.7169 -0.7169 0.6410 0.6410 0.6410 0.6410 0.7400 0.7400 0.7400 0.7400 0.9670 0.9670 0.9670 0.9670 1.0351 1.0351 1.0351 1.0351 1.1294 1.1294 1.1294 1.1294 5.9611 5.9611 5.9611 5.9611 6.8453 6.8453 6.8453 6.8453 7.7899 7.7899 7.7899 7.7899 9.4003 9.4003 9.4003 9.4003 9.8678 9.8678 9.8678 9.8678 10.4163 10.4163 k = 0.1220 0.0704 0.2308 ( 5678 PWs) bands (ev): -19.8889 -19.8889 -19.8889 -19.8889 -6.5288 -6.5288 -6.5288 -6.5288 -4.6409 -4.6409 -4.6409 -4.6409 -4.4213 -4.4213 -4.4213 -4.4213 -0.7022 -0.7022 -0.7022 -0.7022 0.6422 0.6422 0.6422 0.6422 0.7408 0.7408 0.7408 0.7408 0.9689 0.9689 0.9689 0.9689 1.0347 1.0347 1.0347 1.0347 1.1328 1.1328 1.1328 1.1328 5.9650 5.9650 5.9650 5.9650 6.7135 6.7135 6.7135 6.7135 7.7513 7.7513 7.7513 7.7513 9.3774 9.3774 9.3774 9.3774 9.9625 9.9625 9.9625 9.9625 10.3830 10.3830 k = 0.1341 0.0774 0.2308 ( 5674 PWs) bands (ev): -19.8880 -19.8880 -19.8880 -19.8880 -6.5314 -6.5314 -6.5314 -6.5314 -4.6417 -4.6417 -4.6417 -4.6417 -4.4295 -4.4295 -4.4295 -4.4295 -0.6862 -0.6862 -0.6862 -0.6862 0.6436 0.6436 0.6436 0.6436 0.7418 0.7418 0.7418 0.7418 0.9709 0.9709 0.9709 0.9709 1.0343 1.0343 1.0343 1.0343 1.1366 1.1366 1.1366 1.1366 5.9584 5.9584 5.9584 5.9584 6.5956 6.5956 6.5956 6.5956 7.7105 7.7105 7.7105 7.7105 9.3391 9.3391 9.3391 9.3391 10.0531 10.0531 10.0531 10.0531 10.3616 10.3616 k = 0.1463 0.0845 0.2308 ( 5676 PWs) bands (ev): -19.8871 -19.8871 -19.8871 -19.8871 -6.5342 -6.5342 -6.5342 -6.5342 -4.6429 -4.6429 -4.6429 -4.6429 -4.4380 -4.4380 -4.4380 -4.4380 -0.6691 -0.6691 -0.6691 -0.6691 0.6449 0.6449 0.6449 0.6449 0.7429 0.7429 0.7429 0.7429 0.9730 0.9730 0.9730 0.9730 1.0340 1.0340 1.0340 1.0340 1.1409 1.1409 1.1409 1.1409 5.9333 5.9333 5.9333 5.9333 6.4998 6.4998 6.4998 6.4998 7.6678 7.6678 7.6678 7.6678 9.2921 9.2921 9.2921 9.2921 10.1131 10.1131 10.1131 10.1131 10.3744 10.3744 k = 0.1585 0.0915 0.2308 ( 5680 PWs) bands (ev): -19.8861 -19.8861 -19.8861 -19.8861 -6.5372 -6.5372 -6.5372 -6.5372 -4.6442 -4.6442 -4.6442 -4.6442 -4.4466 -4.4466 -4.4466 -4.4466 -0.6510 -0.6510 -0.6510 -0.6510 0.6464 0.6464 0.6464 0.6464 0.7442 0.7442 0.7442 0.7442 0.9753 0.9753 0.9753 0.9753 1.0337 1.0337 1.0337 1.0337 1.1455 1.1455 1.1455 1.1455 5.8814 5.8814 5.8814 5.8814 6.4345 6.4345 6.4345 6.4345 7.6236 7.6236 7.6236 7.6236 9.2396 9.2396 9.2396 9.2396 10.1251 10.1251 10.1251 10.1251 10.4371 10.4371 k = 0.1707 0.0986 0.2308 ( 5684 PWs) bands (ev): -19.8851 -19.8851 -19.8851 -19.8851 -6.5404 -6.5404 -6.5404 -6.5404 -4.6460 -4.6460 -4.6460 -4.6460 -4.4552 -4.4552 -4.4552 -4.4552 -0.6318 -0.6318 -0.6318 -0.6318 0.6479 0.6479 0.6479 0.6479 0.7456 0.7456 0.7456 0.7456 0.9776 0.9776 0.9776 0.9776 1.0335 1.0335 1.0335 1.0335 1.1506 1.1506 1.1506 1.1506 5.8008 5.8008 5.8008 5.8008 6.4019 6.4019 6.4019 6.4019 7.5783 7.5783 7.5783 7.5783 9.1832 9.1832 9.1832 9.1832 10.1080 10.1080 10.1080 10.1080 10.5301 10.5301 k = 0.1829 0.1056 0.2308 ( 5684 PWs) bands (ev): -19.8840 -19.8840 -19.8840 -19.8840 -6.5438 -6.5438 -6.5438 -6.5438 -4.6481 -4.6481 -4.6481 -4.6481 -4.4637 -4.4637 -4.4637 -4.4637 -0.6118 -0.6118 -0.6118 -0.6118 0.6495 0.6495 0.6495 0.6495 0.7473 0.7473 0.7473 0.7473 0.9800 0.9800 0.9800 0.9800 1.0333 1.0333 1.0333 1.0333 1.1562 1.1562 1.1562 1.1562 5.6977 5.6977 5.6977 5.6977 6.3957 6.3957 6.3957 6.3957 7.5322 7.5322 7.5322 7.5322 9.1240 9.1240 9.1240 9.1240 10.0817 10.0817 10.0817 10.0817 10.6328 10.6328 k = 0.1951 0.1127 0.2308 ( 5682 PWs) bands (ev): -19.8829 -19.8829 -19.8829 -19.8829 -6.5474 -6.5474 -6.5474 -6.5474 -4.6506 -4.6506 -4.6506 -4.6506 -4.4720 -4.4720 -4.4720 -4.4720 -0.5911 -0.5911 -0.5911 -0.5911 0.6511 0.6511 0.6511 0.6511 0.7492 0.7492 0.7492 0.7492 0.9824 0.9824 0.9824 0.9824 1.0332 1.0332 1.0332 1.0332 1.1624 1.1624 1.1624 1.1624 5.5809 5.5809 5.5809 5.5809 6.4071 6.4071 6.4071 6.4071 7.4856 7.4856 7.4856 7.4856 9.0629 9.0629 9.0629 9.0629 10.0536 10.0536 10.0536 10.0536 10.7346 10.7346 k = 0.2073 0.1197 0.2308 ( 5678 PWs) bands (ev): -19.8817 -19.8817 -19.8817 -19.8817 -6.5511 -6.5511 -6.5511 -6.5511 -4.6536 -4.6536 -4.6536 -4.6536 -4.4798 -4.4798 -4.4798 -4.4798 -0.5697 -0.5697 -0.5697 -0.5697 0.6527 0.6527 0.6527 0.6527 0.7512 0.7512 0.7512 0.7512 0.9849 0.9849 0.9849 0.9849 1.0333 1.0333 1.0333 1.0333 1.1690 1.1690 1.1690 1.1690 5.4568 5.4568 5.4568 5.4568 6.4298 6.4298 6.4298 6.4298 7.4389 7.4389 7.4389 7.4389 9.0005 9.0005 9.0005 9.0005 10.0264 10.0264 10.0264 10.0264 10.8206 10.8206 k = 0.2195 0.1267 0.2308 ( 5688 PWs) bands (ev): -19.8806 -19.8806 -19.8806 -19.8806 -6.5549 -6.5549 -6.5549 -6.5549 -4.6572 -4.6572 -4.6572 -4.6572 -4.4872 -4.4872 -4.4872 -4.4872 -0.5478 -0.5478 -0.5478 -0.5478 0.6543 0.6543 0.6543 0.6543 0.7535 0.7535 0.7535 0.7535 0.9873 0.9873 0.9873 0.9873 1.0334 1.0334 1.0334 1.0334 1.1763 1.1763 1.1763 1.1763 5.3295 5.3295 5.3295 5.3295 6.4597 6.4597 6.4597 6.4597 7.3924 7.3924 7.3924 7.3924 8.9374 8.9374 8.9374 8.9374 10.0008 10.0008 10.0008 10.0008 10.8877 10.8877 k = 0.2317 0.1338 0.2308 ( 5696 PWs) bands (ev): -19.8794 -19.8794 -19.8794 -19.8794 -6.5588 -6.5588 -6.5588 -6.5588 -4.6614 -4.6614 -4.6614 -4.6614 -4.4940 -4.4940 -4.4940 -4.4940 -0.5255 -0.5255 -0.5255 -0.5255 0.6559 0.6559 0.6559 0.6559 0.7560 0.7560 0.7560 0.7560 0.9898 0.9898 0.9898 0.9898 1.0336 1.0336 1.0336 1.0336 1.1843 1.1843 1.1843 1.1843 5.2011 5.2011 5.2011 5.2011 6.4945 6.4945 6.4945 6.4945 7.3463 7.3463 7.3463 7.3463 8.8744 8.8744 8.8744 8.8744 9.9766 9.9766 9.9766 9.9766 10.9528 10.9528 k = 0.2439 0.1408 0.2308 ( 5690 PWs) bands (ev): -19.8782 -19.8782 -19.8782 -19.8782 -6.5628 -6.5628 -6.5628 -6.5628 -4.6661 -4.6661 -4.6661 -4.6661 -4.5001 -4.5001 -4.5001 -4.5001 -0.5029 -0.5029 -0.5029 -0.5029 0.6575 0.6575 0.6575 0.6575 0.7588 0.7588 0.7588 0.7588 0.9921 0.9921 0.9921 0.9921 1.0340 1.0340 1.0340 1.0340 1.1929 1.1929 1.1929 1.1929 5.0733 5.0733 5.0733 5.0733 6.5326 6.5326 6.5326 6.5326 7.3009 7.3009 7.3009 7.3009 8.8119 8.8119 8.8119 8.8119 9.9533 9.9533 9.9533 9.9533 11.0200 11.0200 k = 0.2561 0.1479 0.2308 ( 5686 PWs) bands (ev): -19.8770 -19.8770 -19.8770 -19.8770 -6.5669 -6.5669 -6.5669 -6.5669 -4.6714 -4.6714 -4.6714 -4.6714 -4.5054 -4.5054 -4.5054 -4.5054 -0.4802 -0.4802 -0.4802 -0.4802 0.6590 0.6590 0.6590 0.6590 0.7617 0.7617 0.7617 0.7617 0.9944 0.9944 0.9944 0.9944 1.0345 1.0345 1.0345 1.0345 1.2022 1.2022 1.2022 1.2022 4.9469 4.9469 4.9469 4.9469 6.5732 6.5732 6.5732 6.5732 7.2565 7.2565 7.2565 7.2565 8.7504 8.7504 8.7504 8.7504 9.9304 9.9304 9.9304 9.9304 11.0901 11.0901 k = 0.2683 0.1549 0.2308 ( 5686 PWs) bands (ev): -19.8758 -19.8758 -19.8758 -19.8758 -6.5711 -6.5711 -6.5711 -6.5711 -4.6772 -4.6772 -4.6772 -4.6772 -4.5100 -4.5100 -4.5100 -4.5100 -0.4575 -0.4575 -0.4575 -0.4575 0.6605 0.6605 0.6605 0.6605 0.7649 0.7649 0.7649 0.7649 0.9966 0.9966 0.9966 0.9966 1.0351 1.0351 1.0351 1.0351 1.2124 1.2124 1.2124 1.2124 4.8225 4.8225 4.8225 4.8225 6.6154 6.6154 6.6154 6.6154 7.2132 7.2132 7.2132 7.2132 8.6905 8.6905 8.6905 8.6905 9.9073 9.9073 9.9073 9.9073 11.1630 11.1630 k = 0.2805 0.1619 0.2308 ( 5696 PWs) bands (ev): -19.8746 -19.8746 -19.8746 -19.8746 -6.5752 -6.5752 -6.5752 -6.5752 -4.6835 -4.6835 -4.6835 -4.6835 -4.5139 -4.5139 -4.5139 -4.5139 -0.4350 -0.4350 -0.4350 -0.4350 0.6619 0.6619 0.6619 0.6619 0.7683 0.7683 0.7683 0.7683 0.9987 0.9987 0.9987 0.9987 1.0358 1.0358 1.0358 1.0358 1.2233 1.2233 1.2233 1.2233 4.7008 4.7008 4.7008 4.7008 6.6588 6.6588 6.6588 6.6588 7.1714 7.1714 7.1714 7.1714 8.6325 8.6325 8.6325 8.6325 9.8831 9.8831 9.8831 9.8831 11.2384 11.2384 k = 0.2927 0.1690 0.2308 ( 5708 PWs) bands (ev): -19.8734 -19.8734 -19.8734 -19.8734 -6.5793 -6.5793 -6.5793 -6.5793 -4.6901 -4.6901 -4.6901 -4.6901 -4.5171 -4.5171 -4.5171 -4.5171 -0.4128 -0.4128 -0.4128 -0.4128 0.6632 0.6632 0.6632 0.6632 0.7718 0.7718 0.7718 0.7718 1.0007 1.0007 1.0007 1.0007 1.0366 1.0366 1.0366 1.0366 1.2351 1.2351 1.2351 1.2351 4.5821 4.5821 4.5821 4.5821 6.7026 6.7026 6.7026 6.7026 7.1311 7.1311 7.1311 7.1311 8.5768 8.5768 8.5768 8.5768 9.8575 9.8575 9.8575 9.8575 11.3160 11.3160 k = 0.3049 0.1760 0.2308 ( 5712 PWs) bands (ev): -19.8723 -19.8723 -19.8723 -19.8723 -6.5834 -6.5834 -6.5834 -6.5834 -4.6970 -4.6970 -4.6970 -4.6970 -4.5196 -4.5196 -4.5196 -4.5196 -0.3909 -0.3909 -0.3909 -0.3909 0.6645 0.6645 0.6645 0.6645 0.7755 0.7755 0.7755 0.7755 1.0025 1.0025 1.0025 1.0025 1.0375 1.0375 1.0375 1.0375 1.2478 1.2478 1.2478 1.2478 4.4667 4.4667 4.4667 4.4667 6.7465 6.7465 6.7465 6.7465 7.0929 7.0929 7.0929 7.0929 8.5236 8.5236 8.5236 8.5236 9.8300 9.8300 9.8300 9.8300 11.3955 11.3955 k = 0.3171 0.1831 0.2308 ( 5712 PWs) bands (ev): -19.8712 -19.8712 -19.8712 -19.8712 -6.5875 -6.5875 -6.5875 -6.5875 -4.7040 -4.7040 -4.7040 -4.7040 -4.5216 -4.5216 -4.5216 -4.5216 -0.3697 -0.3697 -0.3697 -0.3697 0.6657 0.6657 0.6657 0.6657 0.7794 0.7794 0.7794 0.7794 1.0042 1.0042 1.0042 1.0042 1.0385 1.0385 1.0385 1.0385 1.2613 1.2613 1.2613 1.2613 4.3551 4.3551 4.3551 4.3551 6.7898 6.7898 6.7898 6.7898 7.0569 7.0569 7.0569 7.0569 8.4734 8.4734 8.4734 8.4734 9.8004 9.8004 9.8004 9.8004 11.4764 11.4764 k = 0.3293 0.1901 0.2308 ( 5708 PWs) bands (ev): -19.8701 -19.8701 -19.8701 -19.8701 -6.5914 -6.5914 -6.5914 -6.5914 -4.7111 -4.7111 -4.7111 -4.7111 -4.5231 -4.5231 -4.5231 -4.5231 -0.3491 -0.3491 -0.3491 -0.3491 0.6668 0.6668 0.6668 0.6668 0.7833 0.7833 0.7833 0.7833 1.0057 1.0057 1.0057 1.0057 1.0396 1.0396 1.0396 1.0396 1.2757 1.2757 1.2757 1.2757 4.2476 4.2476 4.2476 4.2476 6.8314 6.8314 6.8314 6.8314 7.0241 7.0241 7.0241 7.0241 8.4262 8.4262 8.4262 8.4262 9.7686 9.7686 9.7686 9.7686 11.5583 11.5583 k = 0.3415 0.1971 0.2308 ( 5704 PWs) bands (ev): -19.8690 -19.8690 -19.8690 -19.8690 -6.5952 -6.5952 -6.5952 -6.5952 -4.7181 -4.7181 -4.7181 -4.7181 -4.5242 -4.5242 -4.5242 -4.5242 -0.3293 -0.3293 -0.3293 -0.3293 0.6678 0.6678 0.6678 0.6678 0.7872 0.7872 0.7872 0.7872 1.0072 1.0072 1.0072 1.0072 1.0408 1.0408 1.0408 1.0408 1.2908 1.2908 1.2908 1.2908 4.1444 4.1444 4.1444 4.1444 6.8689 6.8689 6.8689 6.8689 6.9966 6.9966 6.9966 6.9966 8.3823 8.3823 8.3823 8.3823 9.7348 9.7348 9.7348 9.7348 11.6407 11.6407 k = 0.3537 0.2042 0.2308 ( 5700 PWs) bands (ev): -19.8680 -19.8680 -19.8680 -19.8680 -6.5989 -6.5989 -6.5989 -6.5989 -4.7249 -4.7249 -4.7249 -4.7249 -4.5249 -4.5249 -4.5249 -4.5249 -0.3106 -0.3106 -0.3106 -0.3106 0.6687 0.6687 0.6687 0.6687 0.7910 0.7910 0.7910 0.7910 1.0085 1.0085 1.0085 1.0085 1.0419 1.0419 1.0419 1.0419 1.3066 1.3066 1.3066 1.3066 4.0461 4.0461 4.0461 4.0461 6.8947 6.8947 6.8947 6.8947 6.9818 6.9818 6.9818 6.9818 8.3419 8.3419 8.3419 8.3419 9.6992 9.6992 9.6992 9.6992 11.7230 11.7230 k = 0.3659 0.2112 0.2308 ( 5704 PWs) bands (ev): -19.8671 -19.8671 -19.8671 -19.8671 -6.6024 -6.6024 -6.6024 -6.6024 -4.7315 -4.7315 -4.7315 -4.7315 -4.5253 -4.5253 -4.5253 -4.5253 -0.2929 -0.2929 -0.2929 -0.2929 0.6696 0.6696 0.6696 0.6696 0.7948 0.7948 0.7948 0.7948 1.0097 1.0097 1.0097 1.0097 1.0430 1.0430 1.0430 1.0430 1.3230 1.3230 1.3230 1.3230 3.9528 3.9528 3.9528 3.9528 6.8954 6.8954 6.8954 6.8954 6.9928 6.9928 6.9928 6.9928 8.3051 8.3051 8.3051 8.3051 9.6624 9.6624 9.6624 9.6624 11.8046 11.8046 k = 0.3780 0.2183 0.2308 ( 5696 PWs) bands (ev): -19.8662 -19.8662 -19.8662 -19.8662 -6.6057 -6.6057 -6.6057 -6.6057 -4.7378 -4.7378 -4.7378 -4.7378 -4.5256 -4.5256 -4.5256 -4.5256 -0.2763 -0.2763 -0.2763 -0.2763 0.6703 0.6703 0.6703 0.6703 0.7985 0.7985 0.7985 0.7985 1.0108 1.0108 1.0108 1.0108 1.0442 1.0442 1.0442 1.0442 1.3397 1.3397 1.3397 1.3397 3.8652 3.8652 3.8652 3.8652 6.8788 6.8788 6.8788 6.8788 7.0214 7.0214 7.0214 7.0214 8.2720 8.2720 8.2720 8.2720 9.6250 9.6250 9.6250 9.6250 11.8848 11.8848 k = 0.3902 0.2253 0.2308 ( 5694 PWs) bands (ev): -19.8654 -19.8654 -19.8654 -19.8654 -6.6087 -6.6087 -6.6087 -6.6087 -4.7436 -4.7436 -4.7436 -4.7436 -4.5256 -4.5256 -4.5256 -4.5256 -0.2611 -0.2611 -0.2611 -0.2611 0.6710 0.6710 0.6710 0.6710 0.8020 0.8020 0.8020 0.8020 1.0117 1.0117 1.0117 1.0117 1.0452 1.0452 1.0452 1.0452 1.3566 1.3566 1.3566 1.3566 3.7835 3.7835 3.7835 3.7835 6.8583 6.8583 6.8583 6.8583 7.0539 7.0539 7.0539 7.0539 8.2426 8.2426 8.2426 8.2426 9.5876 9.5876 9.5876 9.5876 11.9629 11.9629 k = 0.4024 0.2323 0.2308 ( 5694 PWs) bands (ev): -19.8647 -19.8647 -19.8647 -19.8647 -6.6115 -6.6115 -6.6115 -6.6115 -4.7490 -4.7490 -4.7490 -4.7490 -4.5255 -4.5255 -4.5255 -4.5255 -0.2473 -0.2473 -0.2473 -0.2473 0.6716 0.6716 0.6716 0.6716 0.8052 0.8052 0.8052 0.8052 1.0126 1.0126 1.0126 1.0126 1.0462 1.0462 1.0462 1.0462 1.3733 1.3733 1.3733 1.3733 3.7083 3.7083 3.7083 3.7083 6.8382 6.8382 6.8382 6.8382 7.0859 7.0859 7.0859 7.0859 8.2171 8.2171 8.2171 8.2171 9.5510 9.5510 9.5510 9.5510 12.0380 12.0380 k = 0.4146 0.2394 0.2308 ( 5694 PWs) bands (ev): -19.8641 -19.8641 -19.8641 -19.8641 -6.6140 -6.6140 -6.6140 -6.6140 -4.7538 -4.7538 -4.7538 -4.7538 -4.5254 -4.5254 -4.5254 -4.5254 -0.2349 -0.2349 -0.2349 -0.2349 0.6722 0.6722 0.6722 0.6722 0.8081 0.8081 0.8081 0.8081 1.0134 1.0134 1.0134 1.0134 1.0471 1.0471 1.0471 1.0471 1.3895 1.3895 1.3895 1.3895 3.6402 3.6402 3.6402 3.6402 6.8196 6.8196 6.8196 6.8196 7.1156 7.1156 7.1156 7.1156 8.1952 8.1952 8.1952 8.1952 9.5161 9.5161 9.5161 9.5161 12.1091 12.1091 k = 0.4268 0.2464 0.2308 ( 5698 PWs) bands (ev): -19.8635 -19.8635 -19.8635 -19.8635 -6.6163 -6.6163 -6.6163 -6.6163 -4.7581 -4.7581 -4.7581 -4.7581 -4.5252 -4.5252 -4.5252 -4.5252 -0.2240 -0.2240 -0.2240 -0.2240 0.6726 0.6726 0.6726 0.6726 0.8108 0.8108 0.8108 0.8108 1.0140 1.0140 1.0140 1.0140 1.0479 1.0479 1.0479 1.0479 1.4049 1.4049 1.4049 1.4049 3.5795 3.5795 3.5795 3.5795 6.8032 6.8032 6.8032 6.8032 7.1425 7.1425 7.1425 7.1425 8.1770 8.1770 8.1770 8.1770 9.4836 9.4836 9.4836 9.4836 12.1750 12.1751 k = 0.4390 0.2535 0.2308 ( 5688 PWs) bands (ev): -19.8630 -19.8630 -19.8630 -19.8630 -6.6182 -6.6182 -6.6182 -6.6182 -4.7618 -4.7618 -4.7618 -4.7618 -4.5250 -4.5250 -4.5250 -4.5250 -0.2147 -0.2147 -0.2147 -0.2147 0.6730 0.6730 0.6730 0.6730 0.8131 0.8131 0.8131 0.8131 1.0146 1.0146 1.0146 1.0146 1.0487 1.0487 1.0487 1.0487 1.4189 1.4189 1.4189 1.4189 3.5270 3.5270 3.5270 3.5270 6.7890 6.7890 6.7890 6.7890 7.1658 7.1658 7.1658 7.1658 8.1622 8.1622 8.1622 8.1622 9.4544 9.4544 9.4544 9.4544 12.2346 12.2346 k = 0.4512 0.2605 0.2308 ( 5694 PWs) bands (ev): -19.8626 -19.8626 -19.8626 -19.8626 -6.6198 -6.6198 -6.6198 -6.6198 -4.7649 -4.7649 -4.7649 -4.7649 -4.5248 -4.5248 -4.5248 -4.5248 -0.2070 -0.2070 -0.2070 -0.2070 0.6733 0.6733 0.6733 0.6733 0.8150 0.8150 0.8150 0.8150 1.0151 1.0151 1.0151 1.0151 1.0492 1.0492 1.0492 1.0492 1.4311 1.4311 1.4311 1.4311 3.4830 3.4830 3.4830 3.4830 6.7773 6.7773 6.7773 6.7773 7.1853 7.1853 7.1853 7.1853 8.1506 8.1506 8.1506 8.1506 9.4292 9.4292 9.4292 9.4292 12.2864 12.2864 k = 0.4634 0.2676 0.2308 ( 5694 PWs) bands (ev): -19.8622 -19.8622 -19.8622 -19.8622 -6.6211 -6.6211 -6.6211 -6.6211 -4.7673 -4.7673 -4.7673 -4.7673 -4.5246 -4.5246 -4.5246 -4.5246 -0.2010 -0.2010 -0.2010 -0.2010 0.6735 0.6735 0.6735 0.6735 0.8165 0.8165 0.8165 0.8165 1.0155 1.0155 1.0155 1.0155 1.0497 1.0497 1.0497 1.0497 1.4412 1.4412 1.4412 1.4412 3.4482 3.4482 3.4482 3.4482 6.7681 6.7681 6.7681 6.7681 7.2007 7.2007 7.2007 7.2007 8.1419 8.1419 8.1419 8.1419 9.4088 9.4088 9.4088 9.4088 12.3288 12.3288 k = 0.4756 0.2746 0.2308 ( 5692 PWs) bands (ev): -19.8620 -19.8620 -19.8620 -19.8620 -6.6220 -6.6220 -6.6220 -6.6220 -4.7690 -4.7690 -4.7690 -4.7690 -4.5245 -4.5245 -4.5245 -4.5245 -0.1967 -0.1967 -0.1967 -0.1967 0.6737 0.6737 0.6737 0.6737 0.8176 0.8176 0.8176 0.8176 1.0157 1.0157 1.0157 1.0157 1.0500 1.0500 1.0500 1.0500 1.4487 1.4487 1.4487 1.4487 3.4230 3.4230 3.4230 3.4230 6.7616 6.7616 6.7616 6.7616 7.2118 7.2118 7.2118 7.2118 8.1360 8.1360 8.1360 8.1360 9.3938 9.3938 9.3938 9.3938 12.3605 12.3605 k = 0.4878 0.2816 0.2308 ( 5696 PWs) bands (ev): -19.8619 -19.8619 -19.8619 -19.8619 -6.6225 -6.6225 -6.6225 -6.6225 -4.7700 -4.7700 -4.7700 -4.7700 -4.5244 -4.5244 -4.5244 -4.5244 -0.1941 -0.1941 -0.1941 -0.1941 0.6738 0.6738 0.6738 0.6738 0.8182 0.8182 0.8182 0.8182 1.0159 1.0159 1.0159 1.0159 1.0502 1.0502 1.0502 1.0502 1.4534 1.4534 1.4534 1.4534 3.4078 3.4078 3.4078 3.4078 6.7576 6.7576 6.7576 6.7576 7.2185 7.2185 7.2185 7.2185 8.1325 8.1325 8.1325 8.1325 9.3846 9.3846 9.3846 9.3846 12.3801 12.3801 k = 0.5000 0.2887 0.2308 ( 5704 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -6.6227 -6.6227 -6.6227 -6.6227 -4.7704 -4.7704 -4.7704 -4.7704 -4.5244 -4.5244 -4.5244 -4.5244 -0.1933 -0.1933 -0.1933 -0.1933 0.6738 0.6738 0.6738 0.6738 0.8184 0.8184 0.8184 0.8184 1.0159 1.0159 1.0159 1.0159 1.0503 1.0503 1.0503 1.0503 1.4549 1.4549 1.4549 1.4549 3.4026 3.4026 3.4026 3.4026 6.7563 6.7563 6.7563 6.7563 7.2207 7.2207 7.2207 7.2207 8.1314 8.1314 8.1314 8.1314 9.3815 9.3815 9.3815 9.3815 12.3868 12.3868 k = 0.5000 0.2887 0.2308 ( 5704 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -6.6227 -6.6227 -6.6227 -6.6227 -4.7704 -4.7704 -4.7704 -4.7704 -4.5244 -4.5244 -4.5244 -4.5244 -0.1933 -0.1933 -0.1933 -0.1933 0.6738 0.6738 0.6738 0.6738 0.8184 0.8184 0.8184 0.8184 1.0159 1.0159 1.0159 1.0159 1.0503 1.0503 1.0503 1.0503 1.4549 1.4549 1.4549 1.4549 3.4026 3.4026 3.4026 3.4026 6.7563 6.7563 6.7563 6.7563 7.2207 7.2207 7.2207 7.2207 8.1314 8.1314 8.1314 8.1314 9.3815 9.3815 9.3815 9.3815 12.3868 12.3868 k = 0.4931 0.3007 0.2308 ( 5698 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -6.6228 -6.6228 -6.6226 -6.6226 -4.7706 -4.7706 -4.7699 -4.7699 -4.5247 -4.5247 -4.5247 -4.5247 -0.1963 -0.1963 -0.1895 -0.1895 0.6731 0.6731 0.6745 0.6745 0.8104 0.8104 0.8265 0.8265 1.0155 1.0155 1.0163 1.0163 1.0488 1.0488 1.0518 1.0518 1.4491 1.4491 1.4614 1.4614 3.4022 3.4022 3.4035 3.4035 6.7473 6.7473 6.7483 6.7483 7.2175 7.2175 7.2253 7.2253 8.1312 8.1312 8.1354 8.1354 9.3897 9.3897 9.3954 9.3954 12.3540 12.3540 k = 0.4861 0.3127 0.2308 ( 5698 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -6.6230 -6.6230 -6.6226 -6.6226 -4.7705 -4.7705 -4.7693 -4.7693 -4.5258 -4.5258 -4.5257 -4.5257 -0.1986 -0.1986 -0.1850 -0.1850 0.6724 0.6724 0.6752 0.6752 0.8025 0.8025 0.8346 0.8346 1.0151 1.0151 1.0167 1.0167 1.0473 1.0473 1.0532 1.0532 1.4440 1.4440 1.4685 1.4685 3.4023 3.4023 3.4047 3.4047 6.7218 6.7218 6.7242 6.7242 7.2158 7.2158 7.2307 7.2307 8.1347 8.1347 8.1432 8.1432 9.4197 9.4197 9.4309 9.4309 12.2906 12.2906 k = 0.4792 0.3248 0.2308 ( 5696 PWs) bands (ev): -19.8617 -19.8617 -19.8617 -19.8617 -6.6232 -6.6232 -6.6226 -6.6226 -4.7702 -4.7702 -4.7683 -4.7683 -4.5275 -4.5275 -4.5273 -4.5273 -0.2001 -0.2001 -0.1797 -0.1797 0.6716 0.6716 0.6758 0.6758 0.7947 0.7947 0.8428 0.8428 1.0146 1.0146 1.0170 1.0170 1.0457 1.0457 1.0546 1.0546 1.4396 1.4396 1.4762 1.4762 3.4027 3.4027 3.4064 3.4064 6.6815 6.6815 6.6856 6.6856 7.2154 7.2154 7.2368 7.2368 8.1413 8.1413 8.1542 8.1542 9.4706 9.4706 9.4869 9.4869 12.2161 12.2161 k = 0.4722 0.3368 0.2308 ( 5700 PWs) bands (ev): -19.8616 -19.8616 -19.8616 -19.8616 -6.6234 -6.6234 -6.6226 -6.6226 -4.7696 -4.7696 -4.7671 -4.7671 -4.5299 -4.5299 -4.5297 -4.5297 -0.2009 -0.2009 -0.1738 -0.1738 0.6708 0.6708 0.6763 0.6763 0.7870 0.7870 0.8509 0.8509 1.0141 1.0141 1.0173 1.0173 1.0442 1.0442 1.0559 1.0559 1.4360 1.4360 1.4845 1.4845 3.4034 3.4034 3.4083 3.4083 6.6287 6.6287 6.6350 6.6350 7.2163 7.2163 7.2434 7.2434 8.1504 8.1504 8.1679 8.1679 9.5407 9.5407 9.5615 9.5615 12.1385 12.1385 k = 0.4653 0.3488 0.2308 ( 5704 PWs) bands (ev): -19.8615 -19.8615 -19.8615 -19.8615 -6.6237 -6.6237 -6.6227 -6.6227 -4.7689 -4.7689 -4.7657 -4.7657 -4.5328 -4.5328 -4.5326 -4.5326 -0.2010 -0.2010 -0.1672 -0.1672 0.6700 0.6700 0.6768 0.6768 0.7795 0.7795 0.8589 0.8589 1.0135 1.0135 1.0175 1.0175 1.0427 1.0427 1.0571 1.0571 1.4332 1.4332 1.4934 1.4934 3.4044 3.4044 3.4105 3.4105 6.5661 6.5661 6.5748 6.5748 7.2181 7.2181 7.2502 7.2502 8.1613 8.1613 8.1836 8.1836 9.6279 9.6279 9.6526 9.6526 12.0616 12.0616 k = 0.4583 0.3608 0.2308 ( 5702 PWs) bands (ev): -19.8613 -19.8613 -19.8613 -19.8613 -6.6240 -6.6240 -6.6228 -6.6228 -4.7679 -4.7679 -4.7641 -4.7641 -4.5363 -4.5363 -4.5361 -4.5361 -0.2004 -0.2004 -0.1600 -0.1600 0.6692 0.6692 0.6772 0.6772 0.7722 0.7722 0.8668 0.8668 1.0129 1.0129 1.0177 1.0177 1.0412 1.0412 1.0583 1.0583 1.4311 1.4311 1.5027 1.5027 3.4055 3.4055 3.4127 3.4127 6.4964 6.4964 6.5076 6.5076 7.2208 7.2208 7.2573 7.2573 8.1736 8.1736 8.2009 8.2009 9.7300 9.7300 9.7580 9.7580 11.9873 11.9873 k = 0.4514 0.3729 0.2308 ( 5718 PWs) bands (ev): -19.8611 -19.8611 -19.8611 -19.8611 -6.6243 -6.6243 -6.6230 -6.6230 -4.7667 -4.7667 -4.7623 -4.7623 -4.5403 -4.5403 -4.5402 -4.5402 -0.1992 -0.1992 -0.1523 -0.1523 0.6683 0.6683 0.6775 0.6775 0.7652 0.7652 0.8746 0.8746 1.0123 1.0123 1.0178 1.0178 1.0397 1.0397 1.0594 1.0594 1.4298 1.4298 1.5124 1.5124 3.4066 3.4066 3.4148 3.4148 6.4220 6.4220 6.4357 6.4357 7.2241 7.2241 7.2646 7.2646 8.1869 8.1869 8.2193 8.2193 9.8446 9.8446 9.8757 9.8757 11.9171 11.9171 k = 0.4444 0.3849 0.2308 ( 5732 PWs) bands (ev): -19.8609 -19.8609 -19.8609 -19.8609 -6.6247 -6.6247 -6.6232 -6.6232 -4.7654 -4.7654 -4.7602 -4.7602 -4.5447 -4.5447 -4.5447 -4.5447 -0.1975 -0.1975 -0.1441 -0.1441 0.6675 0.6675 0.6777 0.6777 0.7584 0.7584 0.8823 0.8823 1.0117 1.0117 1.0179 1.0179 1.0383 1.0383 1.0605 1.0605 1.4293 1.4293 1.5226 1.5226 3.4075 3.4075 3.4167 3.4167 6.3450 6.3450 6.3610 6.3610 7.2278 7.2278 7.2722 7.2722 8.2007 8.2007 8.2384 8.2384 9.9694 9.9694 10.0033 10.0033 11.8520 11.8521 k = 0.4375 0.3969 0.2308 ( 5744 PWs) bands (ev): -19.8607 -19.8607 -19.8607 -19.8607 -6.6251 -6.6251 -6.6235 -6.6235 -4.7639 -4.7639 -4.7581 -4.7581 -4.5496 -4.5496 -4.5495 -4.5495 -0.1952 -0.1952 -0.1355 -0.1355 0.6667 0.6667 0.6778 0.6778 0.7519 0.7519 0.8898 0.8898 1.0110 1.0110 1.0179 1.0179 1.0370 1.0370 1.0614 1.0614 1.4296 1.4296 1.5331 1.5331 3.4080 3.4080 3.4182 3.4182 6.2671 6.2671 6.2854 6.2854 7.2320 7.2320 7.2798 7.2798 8.2149 8.2149 8.2578 8.2578 10.1024 10.1024 10.1390 10.1390 11.7930 11.7936 k = 0.4306 0.4090 0.2308 ( 5736 PWs) bands (ev): -19.8605 -19.8605 -19.8605 -19.8605 -6.6256 -6.6256 -6.6238 -6.6238 -4.7623 -4.7623 -4.7558 -4.7558 -4.5548 -4.5548 -4.5545 -4.5545 -0.1925 -0.1925 -0.1266 -0.1266 0.6659 0.6659 0.6779 0.6779 0.7459 0.7459 0.8971 0.8971 1.0103 1.0103 1.0180 1.0180 1.0358 1.0358 1.0623 1.0623 1.4307 1.4307 1.5439 1.5439 3.4080 3.4080 3.4192 3.4192 6.1898 6.1898 6.2104 6.2104 7.2365 7.2365 7.2877 7.2877 8.2292 8.2292 8.2772 8.2772 10.2414 10.2414 10.2807 10.2807 11.7407 11.7407 k = 0.4236 0.4210 0.2308 ( 5736 PWs) bands (ev): -19.8603 -19.8603 -19.8603 -19.8603 -6.6261 -6.6261 -6.6241 -6.6241 -4.7606 -4.7606 -4.7534 -4.7534 -4.5602 -4.5602 -4.5597 -4.5597 -0.1894 -0.1894 -0.1175 -0.1175 0.6651 0.6651 0.6778 0.6778 0.7402 0.7402 0.9041 0.9041 1.0096 1.0096 1.0179 1.0179 1.0346 1.0346 1.0631 1.0631 1.4325 1.4325 1.5549 1.5549 3.4074 3.4074 3.4194 3.4194 6.1146 6.1146 6.1372 6.1372 7.2411 7.2411 7.2955 7.2955 8.2434 8.2434 8.2964 8.2964 10.3843 10.3843 10.4264 10.4264 11.6959 11.6960 k = 0.4167 0.4330 0.2308 ( 5738 PWs) bands (ev): -19.8600 -19.8600 -19.8600 -19.8600 -6.6265 -6.6265 -6.6244 -6.6244 -4.7589 -4.7589 -4.7510 -4.7510 -4.5657 -4.5657 -4.5650 -4.5650 -0.1860 -0.1860 -0.1083 -0.1083 0.6643 0.6643 0.6776 0.6776 0.7350 0.7350 0.9109 0.9109 1.0088 1.0088 1.0178 1.0178 1.0336 1.0336 1.0639 1.0639 1.4350 1.4350 1.5661 1.5661 3.4059 3.4059 3.4187 3.4187 6.0423 6.0423 6.0668 6.0668 7.2459 7.2459 7.3033 7.3033 8.2571 8.2571 8.3150 8.3150 10.5287 10.5287 10.5739 10.5739 11.6591 11.6591 k = 0.4097 0.4450 0.2308 ( 5742 PWs) bands (ev): -19.8598 -19.8598 -19.8598 -19.8598 -6.6271 -6.6271 -6.6248 -6.6248 -4.7572 -4.7572 -4.7485 -4.7485 -4.5713 -4.5713 -4.5703 -4.5703 -0.1824 -0.1824 -0.0992 -0.0992 0.6636 0.6636 0.6772 0.6772 0.7302 0.7302 0.9174 0.9174 1.0081 1.0081 1.0177 1.0177 1.0326 1.0326 1.0646 1.0646 1.4381 1.4381 1.5772 1.5772 3.4034 3.4034 3.4170 3.4170 5.9739 5.9739 6.0003 6.0003 7.2508 7.2508 7.3111 7.3111 8.2701 8.2701 8.3328 8.3328 10.6723 10.6723 10.7208 10.7208 11.6307 11.6307 k = 0.4028 0.4571 0.2308 ( 5748 PWs) bands (ev): -19.8595 -19.8595 -19.8595 -19.8595 -6.6276 -6.6276 -6.6252 -6.6252 -4.7555 -4.7555 -4.7461 -4.7461 -4.5768 -4.5768 -4.5755 -4.5755 -0.1787 -0.1787 -0.0902 -0.0902 0.6629 0.6629 0.6767 0.6767 0.7259 0.7259 0.9234 0.9234 1.0073 1.0073 1.0175 1.0175 1.0318 1.0318 1.0652 1.0652 1.4418 1.4418 1.5884 1.5884 3.3999 3.3999 3.4143 3.4143 5.9103 5.9103 5.9383 5.9383 7.2556 7.2556 7.3186 7.3186 8.2821 8.2821 8.3493 8.3493 10.8120 10.8120 10.8643 10.8643 11.6110 11.6110 k = 0.3958 0.4691 0.2308 ( 5756 PWs) bands (ev): -19.8593 -19.8593 -19.8593 -19.8593 -6.6281 -6.6281 -6.6256 -6.6256 -4.7539 -4.7539 -4.7437 -4.7437 -4.5822 -4.5822 -4.5805 -4.5805 -0.1749 -0.1749 -0.0814 -0.0814 0.6622 0.6622 0.6761 0.6761 0.7222 0.7222 0.9291 0.9291 1.0065 1.0065 1.0174 1.0174 1.0310 1.0310 1.0657 1.0657 1.4459 1.4459 1.5993 1.5993 3.3954 3.3954 3.4104 3.4104 5.8519 5.8519 5.8814 5.8814 7.2603 7.2603 7.3258 7.3258 8.2930 8.2930 8.3644 8.3644 10.9447 10.9447 11.0009 11.0009 11.5997 11.5997 k = 0.3889 0.4811 0.2308 ( 5754 PWs) bands (ev): -19.8590 -19.8590 -19.8590 -19.8590 -6.6286 -6.6286 -6.6260 -6.6260 -4.7524 -4.7524 -4.7415 -4.7415 -4.5873 -4.5873 -4.5852 -4.5852 -0.1711 -0.1711 -0.0731 -0.0731 0.6617 0.6617 0.6755 0.6755 0.7189 0.7189 0.9344 0.9344 1.0058 1.0058 1.0172 1.0172 1.0303 1.0303 1.0663 1.0663 1.4503 1.4503 1.6100 1.6100 3.3898 3.3898 3.4056 3.4056 5.7992 5.7992 5.8301 5.8301 7.2647 7.2647 7.3326 7.3326 8.3025 8.3025 8.3779 8.3779 11.0669 11.0669 11.1271 11.1271 11.5961 11.5961 k = 0.3819 0.4932 0.2308 ( 5754 PWs) bands (ev): -19.8588 -19.8588 -19.8588 -19.8588 -6.6291 -6.6291 -6.6264 -6.6264 -4.7511 -4.7511 -4.7395 -4.7395 -4.5920 -4.5920 -4.5895 -4.5895 -0.1675 -0.1675 -0.0653 -0.0653 0.6611 0.6611 0.6747 0.6747 0.7162 0.7162 0.9392 0.9392 1.0050 1.0050 1.0170 1.0170 1.0297 1.0297 1.0667 1.0667 1.4550 1.4550 1.6201 1.6201 3.3834 3.3834 3.3998 3.3998 5.7527 5.7527 5.7849 5.7849 7.2689 7.2689 7.3390 7.3390 8.3106 8.3106 8.3895 8.3895 11.1760 11.1760 11.2398 11.2398 11.5989 11.5989 k = 0.3750 0.5052 0.2308 ( 5754 PWs) bands (ev): -19.8586 -19.8586 -19.8586 -19.8586 -6.6296 -6.6296 -6.6268 -6.6268 -4.7499 -4.7499 -4.7377 -4.7377 -4.5962 -4.5962 -4.5933 -4.5933 -0.1641 -0.1641 -0.0581 -0.0581 0.6606 0.6606 0.6740 0.6740 0.7139 0.7139 0.9435 0.9435 1.0044 1.0044 1.0169 1.0169 1.0292 1.0292 1.0671 1.0671 1.4597 1.4597 1.6296 1.6296 3.3763 3.3763 3.3933 3.3933 5.7126 5.7126 5.7458 5.7458 7.2728 7.2728 7.3448 7.3448 8.3171 8.3171 8.3992 8.3992 11.2706 11.2706 11.3377 11.3377 11.6056 11.6057 k = 0.3681 0.5172 0.2308 ( 5742 PWs) bands (ev): -19.8584 -19.8584 -19.8584 -19.8584 -6.6300 -6.6300 -6.6272 -6.6272 -4.7490 -4.7490 -4.7362 -4.7362 -4.5999 -4.5999 -4.5966 -4.5966 -0.1611 -0.1611 -0.0518 -0.0518 0.6602 0.6602 0.6733 0.6733 0.7121 0.7121 0.9472 0.9472 1.0037 1.0037 1.0167 1.0167 1.0288 1.0288 1.0675 1.0675 1.4643 1.4643 1.6383 1.6383 3.3688 3.3688 3.3865 3.3865 5.6789 5.6789 5.7131 5.7131 7.2762 7.2762 7.3499 7.3499 8.3221 8.3221 8.4070 8.4070 11.3513 11.3513 11.4217 11.4217 11.6136 11.6136 k = 0.3611 0.5292 0.2308 ( 5746 PWs) bands (ev): -19.8582 -19.8582 -19.8582 -19.8582 -6.6304 -6.6304 -6.6276 -6.6276 -4.7482 -4.7482 -4.7349 -4.7349 -4.6030 -4.6030 -4.5993 -4.5993 -0.1584 -0.1584 -0.0464 -0.0464 0.6599 0.6599 0.6726 0.6726 0.7106 0.7106 0.9502 0.9502 1.0032 1.0032 1.0166 1.0166 1.0285 1.0285 1.0679 1.0679 1.4685 1.4685 1.6460 1.6460 3.3614 3.3614 3.3796 3.3796 5.6518 5.6518 5.6867 5.6867 7.2792 7.2792 7.3543 7.3543 8.3256 8.3256 8.4128 8.4128 11.4196 11.4196 11.4945 11.4945 11.6229 11.6229 k = 0.3542 0.5413 0.2308 ( 5738 PWs) bands (ev): -19.8581 -19.8581 -19.8581 -19.8581 -6.6308 -6.6308 -6.6279 -6.6279 -4.7477 -4.7477 -4.7340 -4.7340 -4.6054 -4.6054 -4.6014 -4.6014 -0.1561 -0.1561 -0.0420 -0.0420 0.6596 0.6596 0.6721 0.6721 0.7095 0.7095 0.9527 0.9527 1.0028 1.0028 1.0166 1.0166 1.0282 1.0282 1.0681 1.0681 1.4722 1.4722 1.6523 1.6523 3.3546 3.3546 3.3733 3.3733 5.6311 5.6311 5.6665 5.6665 7.2816 7.2816 7.3579 7.3579 8.3279 8.3279 8.4169 8.4169 11.4764 11.4764 11.5581 11.5581 11.6328 11.6328 k = 0.3472 0.5533 0.2308 ( 5730 PWs) bands (ev): -19.8580 -19.8580 -19.8580 -19.8580 -6.6310 -6.6310 -6.6281 -6.6281 -4.7474 -4.7474 -4.7334 -4.7334 -4.6071 -4.6071 -4.6029 -4.6029 -0.1544 -0.1544 -0.0387 -0.0387 0.6595 0.6595 0.6718 0.6718 0.7088 0.7088 0.9545 0.9545 1.0025 1.0025 1.0165 1.0165 1.0281 1.0281 1.0683 1.0683 1.4751 1.4751 1.6571 1.6571 3.3490 3.3490 3.3680 3.3680 5.6166 5.6166 5.6525 5.6525 7.2833 7.2833 7.3605 7.3605 8.3292 8.3292 8.4195 8.4195 11.5206 11.5206 11.6110 11.6110 11.6421 11.6421 k = 0.3403 0.5653 0.2308 ( 5726 PWs) bands (ev): -19.8579 -19.8579 -19.8579 -19.8579 -6.6312 -6.6312 -6.6282 -6.6282 -4.7473 -4.7473 -4.7331 -4.7331 -4.6081 -4.6081 -4.6038 -4.6038 -0.1534 -0.1534 -0.0367 -0.0367 0.6594 0.6594 0.6715 0.6715 0.7084 0.7084 0.9555 0.9555 1.0023 1.0023 1.0165 1.0165 1.0280 1.0280 1.0685 1.0685 1.4770 1.4770 1.6602 1.6602 3.3451 3.3451 3.3644 3.3644 5.6081 5.6081 5.6442 5.6442 7.2844 7.2844 7.3622 7.3622 8.3297 8.3297 8.4208 8.4208 11.5500 11.5500 11.6441 11.6441 11.6540 11.6540 k = 0.3333 0.5774 0.2308 ( 5718 PWs) bands (ev): -19.8579 -19.8579 -19.8579 -19.8579 -6.6312 -6.6312 -6.6283 -6.6283 -4.7472 -4.7472 -4.7330 -4.7330 -4.6084 -4.6084 -4.6041 -4.6041 -0.1530 -0.1530 -0.0361 -0.0361 0.6593 0.6593 0.6715 0.6715 0.7083 0.7083 0.9559 0.9559 1.0022 1.0022 1.0165 1.0165 1.0279 1.0279 1.0685 1.0685 1.4777 1.4777 1.6612 1.6612 3.3437 3.3437 3.3631 3.3631 5.6054 5.6054 5.6416 5.6416 7.2848 7.2848 7.3627 7.3627 8.3297 8.3297 8.4212 8.4212 11.5611 11.5611 11.6563 11.6563 11.6570 11.6570 k = 0.3333 0.5774 0.2308 ( 5718 PWs) bands (ev): -19.8579 -19.8579 -19.8579 -19.8579 -6.6312 -6.6312 -6.6283 -6.6283 -4.7472 -4.7472 -4.7330 -4.7330 -4.6084 -4.6084 -4.6041 -4.6041 -0.1530 -0.1530 -0.0361 -0.0361 0.6593 0.6593 0.6715 0.6715 0.7083 0.7083 0.9559 0.9559 1.0022 1.0022 1.0165 1.0165 1.0279 1.0279 1.0685 1.0685 1.4777 1.4777 1.6612 1.6612 3.3437 3.3437 3.3631 3.3631 5.6054 5.6054 5.6416 5.6416 7.2848 7.2848 7.3627 7.3627 8.3297 8.3297 8.4212 8.4212 11.5611 11.5611 11.6563 11.6563 11.6570 11.6570 k = 0.3262 0.5651 0.2308 ( 5722 PWs) bands (ev): -19.8579 -19.8579 -19.8579 -19.8579 -6.6312 -6.6312 -6.6282 -6.6282 -4.7473 -4.7473 -4.7330 -4.7330 -4.6081 -4.6081 -4.6038 -4.6038 -0.1534 -0.1534 -0.0368 -0.0368 0.6594 0.6594 0.6715 0.6715 0.7084 0.7084 0.9555 0.9555 1.0023 1.0023 1.0165 1.0165 1.0280 1.0280 1.0685 1.0685 1.4769 1.4769 1.6601 1.6601 3.3454 3.3454 3.3647 3.3647 5.6081 5.6081 5.6442 5.6442 7.2844 7.2844 7.3621 7.3621 8.3298 8.3298 8.4209 8.4209 11.5464 11.5464 11.6278 11.6278 11.6575 11.6575 k = 0.3191 0.5528 0.2308 ( 5722 PWs) bands (ev): -19.8580 -19.8580 -19.8580 -19.8580 -6.6310 -6.6310 -6.6280 -6.6280 -4.7473 -4.7473 -4.7332 -4.7332 -4.6072 -4.6072 -4.6030 -4.6030 -0.1547 -0.1547 -0.0390 -0.0390 0.6595 0.6595 0.6717 0.6717 0.7088 0.7088 0.9544 0.9544 1.0024 1.0024 1.0165 1.0165 1.0281 1.0281 1.0683 1.0683 1.4745 1.4745 1.6564 1.6564 3.3510 3.3510 3.3700 3.3700 5.6161 5.6161 5.6520 5.6520 7.2831 7.2831 7.3602 7.3602 8.3302 8.3302 8.4205 8.4205 11.5023 11.5023 11.5693 11.5693 11.6645 11.6645 k = 0.3121 0.5405 0.2308 ( 5728 PWs) bands (ev): -19.8581 -19.8581 -19.8581 -19.8581 -6.6306 -6.6306 -6.6277 -6.6277 -4.7472 -4.7472 -4.7334 -4.7334 -4.6058 -4.6058 -4.6017 -4.6017 -0.1568 -0.1568 -0.0428 -0.0428 0.6596 0.6596 0.6719 0.6719 0.7095 0.7095 0.9527 0.9527 1.0026 1.0026 1.0165 1.0165 1.0283 1.0283 1.0680 1.0680 1.4703 1.4703 1.6503 1.6503 3.3610 3.3610 3.3795 3.3795 5.6289 5.6289 5.6644 5.6644 7.2809 7.2809 7.3570 7.3570 8.3313 8.3313 8.4202 8.4202 11.4383 11.4383 11.4952 11.4952 11.6778 11.6778 k = 0.3050 0.5282 0.2308 ( 5740 PWs) bands (ev): -19.8583 -19.8583 -19.8583 -19.8583 -6.6301 -6.6301 -6.6272 -6.6272 -4.7469 -4.7469 -4.7335 -4.7335 -4.6039 -4.6039 -4.6001 -4.6001 -0.1599 -0.1599 -0.0481 -0.0481 0.6599 0.6599 0.6721 0.6721 0.7105 0.7105 0.9503 0.9503 1.0027 1.0027 1.0165 1.0165 1.0286 1.0286 1.0675 1.0675 1.4643 1.4643 1.6415 1.6415 3.3760 3.3760 3.3937 3.3937 5.6462 5.6462 5.6812 5.6812 7.2778 7.2778 7.3525 7.3525 8.3337 8.3337 8.4206 8.4206 11.3636 11.3636 11.4135 11.4135 11.6950 11.6950 k = 0.2979 0.5159 0.2308 ( 5740 PWs) bands (ev): -19.8586 -19.8586 -19.8586 -19.8586 -6.6293 -6.6293 -6.6265 -6.6265 -4.7465 -4.7465 -4.7334 -4.7334 -4.6017 -4.6017 -4.5981 -4.5981 -0.1641 -0.1641 -0.0550 -0.0550 0.6602 0.6602 0.6723 0.6723 0.7117 0.7117 0.9474 0.9474 1.0029 1.0029 1.0164 1.0164 1.0289 1.0289 1.0669 1.0669 1.4564 1.4564 1.6301 1.6301 3.3963 3.3963 3.4131 3.4131 5.6675 5.6675 5.7018 5.7018 7.2737 7.2737 7.3465 7.3465 8.3375 8.3375 8.4219 8.4219 11.2836 11.2836 11.3282 11.3282 11.7146 11.7146 k = 0.2908 0.5036 0.2308 ( 5736 PWs) bands (ev): -19.8589 -19.8589 -19.8589 -19.8589 -6.6284 -6.6284 -6.6256 -6.6256 -4.7457 -4.7457 -4.7331 -4.7331 -4.5992 -4.5992 -4.5958 -4.5958 -0.1692 -0.1692 -0.0634 -0.0634 0.6605 0.6605 0.6724 0.6724 0.7132 0.7132 0.9438 0.9438 1.0030 1.0030 1.0164 1.0164 1.0294 1.0294 1.0662 1.0662 1.4467 1.4467 1.6164 1.6164 3.4223 3.4223 3.4380 3.4380 5.6925 5.6925 5.7260 5.7260 7.2685 7.2685 7.3391 7.3391 8.3433 8.3433 8.4247 8.4247 11.2008 11.2008 11.2416 11.2416 11.7355 11.7355 k = 0.2837 0.4914 0.2308 ( 5744 PWs) bands (ev): -19.8592 -19.8592 -19.8592 -19.8592 -6.6273 -6.6273 -6.6246 -6.6246 -4.7447 -4.7447 -4.7325 -4.7325 -4.5964 -4.5964 -4.5933 -4.5933 -0.1754 -0.1754 -0.0733 -0.0733 0.6609 0.6609 0.6724 0.6724 0.7148 0.7148 0.9396 0.9396 1.0029 1.0029 1.0163 1.0163 1.0298 1.0298 1.0652 1.0652 1.4354 1.4354 1.6003 1.6003 3.4541 3.4541 3.4686 3.4686 5.7207 5.7207 5.7534 5.7534 7.2623 7.2623 7.3304 7.3304 8.3513 8.3513 8.4292 8.4292 11.1171 11.1171 11.1547 11.1547 11.7560 11.7560 k = 0.2766 0.4791 0.2308 ( 5742 PWs) bands (ev): -19.8597 -19.8597 -19.8597 -19.8597 -6.6259 -6.6259 -6.6233 -6.6233 -4.7433 -4.7433 -4.7316 -4.7316 -4.5935 -4.5935 -4.5907 -4.5907 -0.1827 -0.1827 -0.0848 -0.0848 0.6613 0.6613 0.6723 0.6723 0.7166 0.7166 0.9349 0.9349 1.0029 1.0029 1.0161 1.0161 1.0303 1.0303 1.0641 1.0641 1.4227 1.4227 1.5822 1.5822 3.4918 3.4918 3.5050 3.5050 5.7520 5.7520 5.7837 5.7837 7.2551 7.2551 7.3202 7.3202 8.3617 8.3617 8.4358 8.4358 11.0333 11.0333 11.0683 11.0683 11.7734 11.7734 k = 0.2695 0.4668 0.2308 ( 5750 PWs) bands (ev): -19.8601 -19.8601 -19.8601 -19.8601 -6.6243 -6.6243 -6.6218 -6.6218 -4.7415 -4.7415 -4.7302 -4.7302 -4.5904 -4.5904 -4.5878 -4.5878 -0.1912 -0.1912 -0.0977 -0.0977 0.6617 0.6617 0.6720 0.6720 0.7185 0.7185 0.9296 0.9296 1.0027 1.0027 1.0160 1.0160 1.0309 1.0309 1.0628 1.0628 1.4088 1.4088 1.5624 1.5624 3.5355 3.5355 3.5474 3.5474 5.7858 5.7858 5.8164 5.8164 7.2467 7.2467 7.3088 7.3088 8.3749 8.3749 8.4448 8.4448 10.9500 10.9500 10.9829 10.9829 11.7832 11.7832 k = 0.2624 0.4545 0.2308 ( 5746 PWs) bands (ev): -19.8607 -19.8607 -19.8607 -19.8607 -6.6225 -6.6225 -6.6200 -6.6200 -4.7392 -4.7392 -4.7285 -4.7285 -4.5873 -4.5873 -4.5849 -4.5849 -0.2007 -0.2007 -0.1120 -0.1120 0.6621 0.6621 0.6717 0.6717 0.7204 0.7204 0.9237 0.9237 1.0024 1.0024 1.0158 1.0158 1.0314 1.0314 1.0613 1.0613 1.3940 1.3940 1.5412 1.5412 3.5850 3.5850 3.5956 3.5956 5.8219 5.8219 5.8513 5.8513 7.2374 7.2374 7.2962 7.2962 8.3910 8.3910 8.4566 8.4566 10.8678 10.8678 10.8988 10.8988 11.7785 11.7785 k = 0.2553 0.4422 0.2308 ( 5738 PWs) bands (ev): -19.8613 -19.8613 -19.8613 -19.8613 -6.6204 -6.6204 -6.6181 -6.6181 -4.7366 -4.7366 -4.7264 -4.7264 -4.5840 -4.5840 -4.5819 -4.5819 -0.2114 -0.2114 -0.1276 -0.1276 0.6625 0.6625 0.6713 0.6713 0.7224 0.7224 0.9172 0.9172 1.0021 1.0021 1.0156 1.0156 1.0319 1.0319 1.0597 1.0597 1.3785 1.3785 1.5189 1.5189 3.6403 3.6403 3.6495 3.6495 5.8599 5.8599 5.8880 5.8880 7.2270 7.2270 7.2826 7.2826 8.4102 8.4102 8.4712 8.4712 10.7868 10.7868 10.8162 10.8162 11.7532 11.7532 k = 0.2482 0.4299 0.2308 ( 5734 PWs) bands (ev): -19.8620 -19.8620 -19.8620 -19.8620 -6.6181 -6.6181 -6.6159 -6.6159 -4.7335 -4.7335 -4.7239 -4.7239 -4.5807 -4.5807 -4.5787 -4.5787 -0.2232 -0.2232 -0.1445 -0.1445 0.6629 0.6629 0.6708 0.6708 0.7243 0.7243 0.9101 0.9101 1.0016 1.0016 1.0153 1.0153 1.0324 1.0324 1.0580 1.0580 1.3627 1.3627 1.4958 1.4958 3.7011 3.7011 3.7092 3.7092 5.8995 5.8995 5.9261 5.9261 7.2158 7.2158 7.2681 7.2681 8.4327 8.4327 8.4891 8.4891 10.7075 10.7075 10.7354 10.7354 11.7073 11.7073 k = 0.2411 0.4177 0.2308 ( 5732 PWs) bands (ev): -19.8628 -19.8628 -19.8628 -19.8628 -6.6156 -6.6156 -6.6134 -6.6134 -4.7301 -4.7301 -4.7209 -4.7209 -4.5773 -4.5773 -4.5755 -4.5755 -0.2361 -0.2361 -0.1626 -0.1626 0.6633 0.6633 0.6702 0.6702 0.7262 0.7262 0.9025 0.9025 1.0010 1.0010 1.0150 1.0150 1.0328 1.0328 1.0561 1.0561 1.3468 1.3468 1.4722 1.4722 3.7673 3.7673 3.7743 3.7743 5.9403 5.9403 5.9654 5.9654 7.2039 7.2039 7.2529 7.2529 8.4586 8.4586 8.5103 8.5103 10.6298 10.6298 10.6565 10.6565 11.6466 11.6466 k = 0.2340 0.4054 0.2308 ( 5734 PWs) bands (ev): -19.8636 -19.8636 -19.8636 -19.8636 -6.6129 -6.6129 -6.6108 -6.6108 -4.7262 -4.7262 -4.7176 -4.7176 -4.5738 -4.5738 -4.5722 -4.5722 -0.2501 -0.2501 -0.1819 -0.1819 0.6636 0.6636 0.6695 0.6695 0.7280 0.7280 0.8944 0.8944 1.0004 1.0004 1.0147 1.0147 1.0331 1.0331 1.0542 1.0542 1.3311 1.3311 1.4485 1.4485 3.8388 3.8388 3.8447 3.8447 5.9820 5.9820 6.0054 6.0054 7.1915 7.1915 7.2374 7.2374 8.4879 8.4879 8.5350 8.5350 10.5541 10.5541 10.5796 10.5796 11.5771 11.5771 k = 0.2270 0.3931 0.2308 ( 5718 PWs) bands (ev): -19.8644 -19.8644 -19.8644 -19.8644 -6.6099 -6.6099 -6.6079 -6.6079 -4.7220 -4.7220 -4.7138 -4.7138 -4.5702 -4.5702 -4.5688 -4.5688 -0.2652 -0.2652 -0.2022 -0.2022 0.6639 0.6639 0.6687 0.6687 0.7296 0.7296 0.8859 0.8859 0.9997 0.9997 1.0143 1.0143 1.0334 1.0334 1.0522 1.0522 1.3158 1.3158 1.4249 1.4249 3.9152 3.9152 3.9203 3.9203 6.0241 6.0241 6.0457 6.0457 7.1788 7.1788 7.2218 7.2218 8.5207 8.5207 8.5634 8.5634 10.4805 10.4805 10.5048 10.5048 11.5028 11.5028 k = 0.2199 0.3808 0.2308 ( 5718 PWs) bands (ev): -19.8654 -19.8654 -19.8654 -19.8654 -6.6067 -6.6067 -6.6049 -6.6049 -4.7174 -4.7174 -4.7098 -4.7098 -4.5666 -4.5666 -4.5653 -4.5653 -0.2813 -0.2813 -0.2234 -0.2234 0.6640 0.6640 0.6679 0.6679 0.7312 0.7312 0.8769 0.8769 0.9989 0.9989 1.0138 1.0138 1.0336 1.0336 1.0502 1.0502 1.3009 1.3009 1.4017 1.4017 3.9965 3.9965 4.0008 4.0008 6.0662 6.0662 6.0857 6.0857 7.1663 7.1663 7.2067 7.2067 8.5571 8.5571 8.5955 8.5955 10.4090 10.4090 10.4323 10.4323 11.4261 11.4261 k = 0.2128 0.3685 0.2308 ( 5720 PWs) bands (ev): -19.8663 -19.8663 -19.8663 -19.8663 -6.6034 -6.6034 -6.6016 -6.6016 -4.7125 -4.7125 -4.7054 -4.7054 -4.5628 -4.5628 -4.5617 -4.5617 -0.2984 -0.2984 -0.2455 -0.2455 0.6641 0.6641 0.6669 0.6669 0.7326 0.7326 0.8677 0.8677 0.9980 0.9980 1.0132 1.0132 1.0337 1.0337 1.0482 1.0482 1.2867 1.2867 1.3789 1.3789 4.0824 4.0824 4.0860 4.0860 6.1076 6.1076 6.1250 6.1250 7.1544 7.1544 7.1926 7.1926 8.5971 8.5971 8.6314 8.6314 10.3398 10.3398 10.3621 10.3621 11.3486 11.3486 k = 0.2057 0.3562 0.2308 ( 5720 PWs) bands (ev): -19.8674 -19.8674 -19.8674 -19.8674 -6.5998 -6.5998 -6.5982 -6.5982 -4.7074 -4.7074 -4.7008 -4.7008 -4.5588 -4.5588 -4.5579 -4.5579 -0.3164 -0.3164 -0.2684 -0.2684 0.6641 0.6641 0.6660 0.6660 0.7338 0.7338 0.8582 0.8582 0.9970 0.9970 1.0125 1.0125 1.0338 1.0338 1.0462 1.0462 1.2732 1.2732 1.3569 1.3569 4.1727 4.1727 4.1758 4.1758 6.1478 6.1478 6.1629 6.1629 7.1437 7.1437 7.1800 7.1800 8.6407 8.6407 8.6712 8.6712 10.2729 10.2729 10.2944 10.2944 11.2711 11.2711 k = 0.1986 0.3440 0.2308 ( 5724 PWs) bands (ev): -19.8684 -19.8684 -19.8684 -19.8684 -6.5961 -6.5961 -6.5946 -6.5946 -4.7022 -4.7022 -4.6961 -4.6961 -4.5547 -4.5547 -4.5539 -4.5539 -0.3353 -0.3353 -0.2919 -0.2919 0.6640 0.6640 0.6649 0.6649 0.7349 0.7349 0.8486 0.8486 0.9960 0.9960 1.0117 1.0117 1.0338 1.0338 1.0443 1.0443 1.2605 1.2605 1.3357 1.3357 4.2672 4.2672 4.2699 4.2699 6.1861 6.1861 6.1987 6.1987 7.1350 7.1350 7.1698 7.1698 8.6879 8.6879 8.7148 8.7148 10.2086 10.2086 10.2293 10.2293 11.1942 11.1942 k = 0.1915 0.3317 0.2308 ( 5708 PWs) bands (ev): -19.8695 -19.8695 -19.8695 -19.8695 -6.5923 -6.5923 -6.5909 -6.5909 -4.6968 -4.6968 -4.6912 -4.6912 -4.5502 -4.5502 -4.5496 -4.5496 -0.3549 -0.3549 -0.3159 -0.3159 0.6638 0.6638 0.6639 0.6639 0.7359 0.7359 0.8391 0.8391 0.9949 0.9949 1.0107 1.0107 1.0337 1.0337 1.0425 1.0425 1.2486 1.2486 1.3155 1.3155 4.3658 4.3658 4.3682 4.3682 6.2215 6.2215 6.2314 6.2314 7.1291 7.1291 7.1629 7.1629 8.7386 8.7386 8.7622 8.7622 10.1469 10.1469 10.1669 10.1669 11.1184 11.1184 k = 0.1844 0.3194 0.2308 ( 5712 PWs) bands (ev): -19.8707 -19.8707 -19.8707 -19.8707 -6.5883 -6.5883 -6.5870 -6.5870 -4.6914 -4.6914 -4.6863 -4.6863 -4.5455 -4.5455 -4.5450 -4.5450 -0.3752 -0.3752 -0.3404 -0.3404 0.6627 0.6627 0.6634 0.6634 0.7367 0.7367 0.8296 0.8296 0.9937 0.9937 1.0095 1.0095 1.0336 1.0336 1.0408 1.0408 1.2375 1.2375 1.2964 1.2964 4.4683 4.4683 4.4704 4.4704 6.2533 6.2533 6.2604 6.2604 7.1269 7.1269 7.1600 7.1600 8.7928 8.7928 8.8135 8.8135 10.0879 10.0879 10.1072 10.1072 11.0437 11.0437 k = 0.1773 0.3071 0.2308 ( 5716 PWs) bands (ev): -19.8719 -19.8719 -19.8719 -19.8719 -6.5843 -6.5843 -6.5831 -6.5831 -4.6860 -4.6860 -4.6814 -4.6814 -4.5404 -4.5404 -4.5400 -4.5400 -0.3961 -0.3961 -0.3653 -0.3653 0.6615 0.6615 0.6629 0.6629 0.7374 0.7374 0.8204 0.8204 0.9924 0.9924 1.0081 1.0081 1.0335 1.0335 1.0392 1.0392 1.2271 1.2271 1.2784 1.2784 4.5744 4.5744 4.5764 4.5764 6.2805 6.2805 6.2846 6.2846 7.1295 7.1295 7.1622 7.1622 8.8504 8.8504 8.8685 8.8685 10.0318 10.0318 10.0504 10.0504 10.9704 10.9704 k = 0.1702 0.2948 0.2308 ( 5716 PWs) bands (ev): -19.8730 -19.8730 -19.8730 -19.8730 -6.5802 -6.5802 -6.5791 -6.5791 -4.6807 -4.6807 -4.6766 -4.6766 -4.5350 -4.5350 -4.5347 -4.5347 -0.4175 -0.4175 -0.3903 -0.3903 0.6603 0.6603 0.6623 0.6623 0.7380 0.7380 0.8116 0.8116 0.9910 0.9910 1.0065 1.0065 1.0334 1.0334 1.0378 1.0378 1.2174 1.2174 1.2615 1.2615 4.6839 4.6839 4.6859 4.6859 6.3023 6.3023 6.3035 6.3035 7.1377 7.1377 7.1702 7.1702 8.9113 8.9113 8.9271 8.9271 9.9786 9.9786 9.9966 9.9966 10.8986 10.8986 k = 0.1631 0.2825 0.2308 ( 5716 PWs) bands (ev): -19.8743 -19.8743 -19.8743 -19.8743 -6.5760 -6.5760 -6.5751 -6.5751 -4.6757 -4.6757 -4.6720 -4.6720 -4.5290 -4.5290 -4.5289 -4.5289 -0.4393 -0.4393 -0.4154 -0.4154 0.6590 0.6590 0.6615 0.6615 0.7385 0.7385 0.8032 0.8032 0.9896 0.9896 1.0047 1.0047 1.0333 1.0333 1.0366 1.0366 1.2083 1.2083 1.2459 1.2459 4.7967 4.7967 4.7988 4.7988 6.3166 6.3166 6.3182 6.3182 7.1522 7.1522 7.1845 7.1845 8.9754 8.9754 8.9891 8.9891 9.9285 9.9285 9.9460 9.9460 10.8283 10.8283 k = 0.1560 0.2702 0.2308 ( 5700 PWs) bands (ev): -19.8755 -19.8755 -19.8755 -19.8755 -6.5719 -6.5719 -6.5710 -6.5710 -4.6709 -4.6709 -4.6677 -4.6677 -4.5227 -4.5227 -4.5226 -4.5226 -0.4613 -0.4613 -0.4405 -0.4405 0.6578 0.6578 0.6606 0.6606 0.7389 0.7389 0.7953 0.7953 0.9882 0.9882 1.0027 1.0027 1.0332 1.0332 1.0355 1.0355 1.1999 1.1999 1.2314 1.2314 4.9124 4.9124 4.9148 4.9148 6.3237 6.3237 6.3280 6.3280 7.1734 7.1734 7.2055 7.2055 9.0426 9.0426 9.0545 9.0545 9.8817 9.8817 9.8987 9.8987 10.7595 10.7595 k = 0.1489 0.2580 0.2308 ( 5698 PWs) bands (ev): -19.8767 -19.8767 -19.8767 -19.8767 -6.5677 -6.5677 -6.5669 -6.5669 -4.6664 -4.6664 -4.6636 -4.6636 -4.5158 -4.5158 -4.5158 -4.5158 -0.4834 -0.4834 -0.4654 -0.4654 0.6564 0.6564 0.6595 0.6595 0.7392 0.7392 0.7879 0.7879 0.9866 0.9866 1.0004 1.0004 1.0332 1.0332 1.0346 1.0346 1.1920 1.1920 1.2181 1.2181 5.0308 5.0308 5.0335 5.0335 6.3253 6.3253 6.3321 6.3321 7.2011 7.2011 7.2330 7.2330 9.1124 9.1124 9.1228 9.1228 9.8384 9.8384 9.8549 9.8549 10.6920 10.6920 k = 0.1418 0.2457 0.2308 ( 5698 PWs) bands (ev): -19.8779 -19.8779 -19.8779 -19.8779 -6.5636 -6.5636 -6.5629 -6.5629 -4.6623 -4.6623 -4.6599 -4.6599 -4.5085 -4.5085 -4.5084 -4.5084 -0.5056 -0.5056 -0.4902 -0.4902 0.6551 0.6551 0.6583 0.6583 0.7394 0.7394 0.7811 0.7811 0.9850 0.9850 0.9979 0.9979 1.0332 1.0332 1.0339 1.0339 1.1846 1.1846 1.2059 1.2059 5.1513 5.1513 5.1546 5.1546 6.3222 6.3222 6.3312 6.3312 7.2350 7.2350 7.2664 7.2664 9.1847 9.1847 9.1939 9.1939 9.7988 9.7988 9.8148 9.8148 10.6258 10.6258 k = 0.1348 0.2334 0.2308 ( 5686 PWs) bands (ev): -19.8792 -19.8792 -19.8792 -19.8792 -6.5595 -6.5595 -6.5589 -6.5589 -4.6586 -4.6586 -4.6565 -4.6565 -4.5008 -4.5008 -4.5007 -4.5007 -0.5276 -0.5276 -0.5145 -0.5145 0.6537 0.6537 0.6570 0.6570 0.7396 0.7396 0.7749 0.7749 0.9833 0.9833 0.9953 0.9953 1.0332 1.0332 1.0333 1.0333 1.1777 1.1777 1.1948 1.1948 5.2734 5.2734 5.2775 5.2775 6.3155 6.3155 6.3266 6.3266 7.2743 7.2743 7.3051 7.3051 9.2590 9.2590 9.2672 9.2672 9.7630 9.7630 9.7787 9.7787 10.5609 10.5609 k = 0.1277 0.2211 0.2308 ( 5686 PWs) bands (ev): -19.8804 -19.8804 -19.8804 -19.8804 -6.5555 -6.5555 -6.5550 -6.5550 -4.6552 -4.6552 -4.6535 -4.6535 -4.4926 -4.4926 -4.4925 -4.4925 -0.5495 -0.5495 -0.5384 -0.5384 0.6523 0.6523 0.6555 0.6555 0.7396 0.7396 0.7693 0.7693 0.9816 0.9816 0.9925 0.9925 1.0329 1.0329 1.0333 1.0333 1.1713 1.1713 1.1847 1.1847 5.3962 5.3962 5.4012 5.4012 6.3067 6.3067 6.3199 6.3199 7.3182 7.3182 7.3482 7.3482 9.3347 9.3347 9.3422 9.3422 9.7316 9.7316 9.7467 9.7467 10.4970 10.4970 k = 0.1206 0.2088 0.2308 ( 5686 PWs) bands (ev): -19.8816 -19.8816 -19.8816 -19.8816 -6.5517 -6.5517 -6.5512 -6.5512 -4.6523 -4.6523 -4.6509 -4.6509 -4.4841 -4.4841 -4.4839 -4.4839 -0.5709 -0.5709 -0.5617 -0.5617 0.6509 0.6509 0.6540 0.6540 0.7397 0.7397 0.7642 0.7642 0.9798 0.9798 0.9896 0.9896 1.0327 1.0327 1.0334 1.0334 1.1652 1.1652 1.1756 1.1756 5.5180 5.5180 5.5245 5.5245 6.2981 6.2981 6.3134 6.3134 7.3656 7.3656 7.3947 7.3947 9.4105 9.4105 9.4177 9.4177 9.7049 9.7049 9.7195 9.7195 10.4341 10.4341 k = 0.1135 0.1965 0.2308 ( 5678 PWs) bands (ev): -19.8827 -19.8827 -19.8827 -19.8827 -6.5479 -6.5479 -6.5475 -6.5475 -4.6498 -4.6498 -4.6486 -4.6486 -4.4753 -4.4753 -4.4751 -4.4751 -0.5920 -0.5920 -0.5843 -0.5843 0.6495 0.6495 0.6524 0.6524 0.7396 0.7396 0.7598 0.7598 0.9781 0.9781 0.9867 0.9867 1.0326 1.0326 1.0336 1.0336 1.1595 1.1595 1.1674 1.1674 5.6365 5.6365 5.6447 5.6447 6.2929 6.2929 6.3104 6.3104 7.4156 7.4156 7.4436 7.4436 9.4847 9.4847 9.4921 9.4921 9.6840 9.6840 9.6977 9.6977 10.3724 10.3724 k = 0.1064 0.1843 0.2308 ( 5682 PWs) bands (ev): -19.8839 -19.8839 -19.8839 -19.8839 -6.5443 -6.5443 -6.5440 -6.5440 -4.6476 -4.6476 -4.6466 -4.6466 -4.4663 -4.4663 -4.4661 -4.4661 -0.6124 -0.6124 -0.6061 -0.6061 0.6482 0.6482 0.6507 0.6507 0.7396 0.7396 0.7559 0.7559 0.9763 0.9763 0.9838 0.9838 1.0326 1.0326 1.0337 1.0337 1.1542 1.1542 1.1600 1.1600 5.7468 5.7468 5.7572 5.7572 6.2964 6.2964 6.3163 6.3163 7.4673 7.4673 7.4941 7.4941 9.5521 9.5521 9.5615 9.5615 9.6723 9.6723 9.6835 9.6835 10.3125 10.3125 k = 0.0993 0.1720 0.2308 ( 5686 PWs) bands (ev): -19.8849 -19.8849 -19.8849 -19.8849 -6.5409 -6.5409 -6.5406 -6.5406 -4.6457 -4.6457 -4.6450 -4.6450 -4.4573 -4.4573 -4.4570 -4.4570 -0.6321 -0.6321 -0.6271 -0.6271 0.6468 0.6468 0.6490 0.6490 0.7394 0.7394 0.7525 0.7525 0.9745 0.9745 0.9809 0.9809 1.0328 1.0328 1.0339 1.0339 1.1493 1.1493 1.1534 1.1534 5.8414 5.8414 5.8537 5.8537 6.3174 6.3174 6.3393 6.3393 7.5197 7.5197 7.5453 7.5453 9.5980 9.5980 9.6137 9.6137 9.6813 9.6813 9.6858 9.6858 10.2564 10.2564 k = 0.0922 0.1597 0.2308 ( 5690 PWs) bands (ev): -19.8860 -19.8860 -19.8860 -19.8860 -6.5376 -6.5376 -6.5374 -6.5374 -4.6442 -4.6442 -4.6436 -4.6436 -4.4482 -4.4482 -4.4480 -4.4480 -0.6511 -0.6511 -0.6470 -0.6470 0.6455 0.6455 0.6474 0.6474 0.7393 0.7393 0.7496 0.7496 0.9727 0.9727 0.9780 0.9780 1.0330 1.0330 1.0342 1.0342 1.1446 1.1446 1.1475 1.1475 5.9110 5.9110 5.9234 5.9234 6.3672 6.3672 6.3892 6.3892 7.5721 7.5721 7.5963 7.5963 9.6106 9.6106 9.6312 9.6312 9.7159 9.7159 9.7168 9.7168 10.2084 10.2084 k = 0.0851 0.1474 0.2308 ( 5682 PWs) bands (ev): -19.8870 -19.8870 -19.8870 -19.8870 -6.5345 -6.5345 -6.5344 -6.5344 -4.6429 -4.6429 -4.6424 -4.6424 -4.4392 -4.4392 -4.4391 -4.4391 -0.6691 -0.6691 -0.6659 -0.6659 0.6442 0.6442 0.6458 0.6458 0.7391 0.7391 0.7471 0.7471 0.9710 0.9710 0.9753 0.9753 1.0334 1.0334 1.0345 1.0345 1.1403 1.1403 1.1423 1.1423 5.9513 5.9513 5.9618 5.9618 6.4506 6.4506 6.4705 6.4705 7.6236 7.6236 7.6463 7.6463 9.6110 9.6110 9.6341 9.6341 9.7426 9.7426 9.7469 9.7469 10.1774 10.1774 k = 0.0780 0.1351 0.2308 ( 5694 PWs) bands (ev): -19.8879 -19.8879 -19.8879 -19.8879 -6.5317 -6.5317 -6.5316 -6.5316 -4.6418 -4.6418 -4.6415 -4.6415 -4.4305 -4.4305 -4.4304 -4.4304 -0.6861 -0.6861 -0.6837 -0.6837 0.6429 0.6429 0.6442 0.6442 0.7389 0.7389 0.7449 0.7449 0.9693 0.9693 0.9727 0.9727 1.0338 1.0338 1.0347 1.0347 1.1364 1.1364 1.1376 1.1376 5.9679 5.9679 5.9755 5.9755 6.5613 6.5613 6.5782 6.5782 7.6735 7.6735 7.6947 7.6947 9.6091 9.6091 9.6371 9.6371 9.7380 9.7380 9.7488 9.7488 10.1742 10.1742 k = 0.0709 0.1228 0.2308 ( 5692 PWs) bands (ev): -19.8888 -19.8888 -19.8888 -19.8888 -6.5290 -6.5290 -6.5289 -6.5289 -4.6409 -4.6409 -4.6407 -4.6407 -4.4221 -4.4221 -4.4220 -4.4220 -0.7019 -0.7019 -0.7001 -0.7001 0.6418 0.6418 0.6428 0.6428 0.7386 0.7386 0.7431 0.7431 0.9677 0.9677 0.9703 0.9703 1.0342 1.0342 1.0350 1.0350 1.1327 1.1327 1.1335 1.1335 5.9695 5.9695 5.9748 5.9748 6.6891 6.6891 6.7033 6.7033 7.7211 7.7211 7.7406 7.7406 9.6005 9.6005 9.6396 9.6396 9.6989 9.6989 9.7230 9.7230 10.2005 10.2005 k = 0.0638 0.1106 0.2308 ( 5696 PWs) bands (ev): -19.8896 -19.8896 -19.8896 -19.8896 -6.5266 -6.5266 -6.5266 -6.5266 -4.6402 -4.6402 -4.6401 -4.6401 -4.4142 -4.4142 -4.4141 -4.4141 -0.7166 -0.7166 -0.7153 -0.7153 0.6407 0.6407 0.6414 0.6414 0.7384 0.7384 0.7416 0.7416 0.9661 0.9661 0.9681 0.9681 1.0347 1.0347 1.0354 1.0354 1.1294 1.1294 1.1298 1.1298 5.9632 5.9632 5.9667 5.9667 6.8271 6.8271 6.8391 6.8391 7.7658 7.7658 7.7836 7.7836 9.5646 9.5646 9.6021 9.6021 9.6735 9.6735 9.6981 9.6981 10.2455 10.2455 k = 0.0567 0.0983 0.2308 ( 5680 PWs) bands (ev): -19.8903 -19.8903 -19.8903 -19.8903 -6.5245 -6.5245 -6.5244 -6.5244 -4.6397 -4.6397 -4.6396 -4.6396 -4.4068 -4.4068 -4.4067 -4.4067 -0.7300 -0.7300 -0.7291 -0.7291 0.6397 0.6397 0.6402 0.6402 0.7381 0.7381 0.7404 0.7404 0.9647 0.9647 0.9661 0.9661 1.0352 1.0352 1.0357 1.0357 1.1264 1.1264 1.1266 1.1266 5.9530 5.9530 5.9552 5.9552 6.9713 6.9713 6.9815 6.9815 7.8071 7.8071 7.8231 7.8231 9.4876 9.4876 9.5097 9.5097 9.6863 9.6863 9.6979 9.6979 10.2969 10.2969 k = 0.0496 0.0860 0.2308 ( 5664 PWs) bands (ev): -19.8910 -19.8910 -19.8910 -19.8910 -6.5225 -6.5225 -6.5225 -6.5225 -4.6393 -4.6393 -4.6392 -4.6392 -4.4000 -4.4000 -4.4000 -4.4000 -0.7420 -0.7420 -0.7414 -0.7414 0.6388 0.6388 0.6391 0.6391 0.7379 0.7379 0.7394 0.7394 0.9634 0.9634 0.9644 0.9644 1.0356 1.0356 1.0360 1.0360 1.1238 1.1238 1.1239 1.1239 5.9412 5.9412 5.9426 5.9426 7.1189 7.1189 7.1278 7.1278 7.8445 7.8445 7.8586 7.8586 9.3843 9.3843 9.3983 9.3983 9.7079 9.7079 9.7135 9.7135 10.3463 10.3463 k = 0.0426 0.0737 0.2308 ( 5662 PWs) bands (ev): -19.8916 -19.8916 -19.8916 -19.8916 -6.5208 -6.5208 -6.5208 -6.5208 -4.6389 -4.6389 -4.6389 -4.6389 -4.3939 -4.3939 -4.3939 -4.3939 -0.7526 -0.7526 -0.7522 -0.7522 0.6379 0.6379 0.6382 0.6382 0.7377 0.7377 0.7386 0.7386 0.9622 0.9622 0.9628 0.9628 1.0361 1.0361 1.0363 1.0363 1.1215 1.1215 1.1215 1.1215 5.9293 5.9293 5.9301 5.9301 7.2683 7.2683 7.2759 7.2759 7.8777 7.8777 7.8898 7.8898 9.2664 9.2664 9.2756 9.2756 9.7341 9.7341 9.7370 9.7370 10.3881 10.3881 k = 0.0355 0.0614 0.2308 ( 5662 PWs) bands (ev): -19.8921 -19.8921 -19.8921 -19.8921 -6.5194 -6.5194 -6.5194 -6.5194 -4.6387 -4.6387 -4.6386 -4.6386 -4.3887 -4.3887 -4.3887 -4.3887 -0.7616 -0.7616 -0.7614 -0.7614 0.6372 0.6372 0.6374 0.6374 0.7374 0.7374 0.7380 0.7380 0.9612 0.9612 0.9615 0.9615 1.0365 1.0365 1.0366 1.0366 1.1195 1.1195 1.1195 1.1195 5.9181 5.9181 5.9186 5.9186 7.4173 7.4173 7.4239 7.4239 7.9065 7.9065 7.9167 7.9167 9.1398 9.1398 9.1459 9.1459 9.7631 9.7631 9.7645 9.7645 10.4192 10.4192 k = 0.0284 0.0491 0.2308 ( 5670 PWs) bands (ev): -19.8925 -19.8925 -19.8925 -19.8925 -6.5182 -6.5182 -6.5182 -6.5182 -4.6385 -4.6385 -4.6385 -4.6385 -4.3843 -4.3843 -4.3843 -4.3843 -0.7691 -0.7691 -0.7690 -0.7690 0.6366 0.6366 0.6367 0.6367 0.7372 0.7372 0.7375 0.7375 0.9603 0.9603 0.9605 0.9605 1.0368 1.0368 1.0369 1.0369 1.1179 1.1179 1.1179 1.1179 5.9084 5.9084 5.9086 5.9086 7.5635 7.5635 7.5690 7.5690 7.9311 7.9311 7.9392 7.9392 9.0092 9.0092 9.0130 9.0130 9.7928 9.7928 9.7935 9.7935 10.4386 10.4386 k = 0.0213 0.0369 0.2308 ( 5664 PWs) bands (ev): -19.8928 -19.8928 -19.8928 -19.8928 -6.5173 -6.5173 -6.5173 -6.5173 -4.6383 -4.6383 -4.6383 -4.6383 -4.3808 -4.3808 -4.3808 -4.3808 -0.7750 -0.7750 -0.7750 -0.7750 0.6361 0.6361 0.6362 0.6362 0.7370 0.7370 0.7371 0.7371 0.9596 0.9596 0.9597 0.9597 1.0370 1.0370 1.0371 1.0371 1.1167 1.1167 1.1167 1.1167 5.9005 5.9005 5.9005 5.9005 7.7022 7.7022 7.7066 7.7066 7.9521 7.9521 7.9581 7.9581 8.8799 8.8799 8.8820 8.8820 9.8210 9.8210 9.8213 9.8213 10.4476 10.4476 k = 0.0142 0.0246 0.2308 ( 5656 PWs) bands (ev): -19.8930 -19.8930 -19.8930 -19.8930 -6.5167 -6.5167 -6.5167 -6.5167 -4.6382 -4.6382 -4.6382 -4.6382 -4.3783 -4.3783 -4.3783 -4.3783 -0.7792 -0.7792 -0.7792 -0.7792 0.6358 0.6358 0.6358 0.6358 0.7369 0.7369 0.7369 0.7369 0.9591 0.9591 0.9591 0.9591 1.0372 1.0372 1.0372 1.0372 1.1158 1.1158 1.1158 1.1158 5.8946 5.8946 5.8946 5.8946 7.8235 7.8235 7.8263 7.8263 7.9721 7.9721 7.9756 7.9756 8.7606 8.7606 8.7615 8.7615 9.8445 9.8445 9.8446 9.8446 10.4487 10.4487 k = 0.0071 0.0123 0.2308 ( 5664 PWs) bands (ev): -19.8932 -19.8932 -19.8932 -19.8932 -6.5163 -6.5163 -6.5163 -6.5163 -4.6382 -4.6382 -4.6382 -4.6382 -4.3768 -4.3768 -4.3768 -4.3768 -0.7818 -0.7818 -0.7818 -0.7818 0.6356 0.6356 0.6356 0.6356 0.7368 0.7368 0.7368 0.7368 0.9588 0.9588 0.9588 0.9588 1.0373 1.0373 1.0373 1.0373 1.1152 1.1152 1.1152 1.1152 5.8910 5.8910 5.8910 5.8910 7.9042 7.9042 7.9049 7.9049 7.9981 7.9981 7.9990 7.9990 8.6679 8.6679 8.6681 8.6681 9.8604 9.8604 9.8604 9.8604 10.4458 10.4458 k = 0.0000 0.0000 0.2308 ( 5690 PWs) bands (ev): -19.8932 -19.8932 -19.8932 -19.8932 -6.5161 -6.5161 -6.5161 -6.5161 -4.6382 -4.6382 -4.6382 -4.6382 -4.3763 -4.3763 -4.3763 -4.3763 -0.7826 -0.7826 -0.7826 -0.7826 0.6355 0.6355 0.6355 0.6355 0.7367 0.7367 0.7367 0.7367 0.9586 0.9586 0.9586 0.9586 1.0373 1.0373 1.0373 1.0373 1.1150 1.1150 1.1150 1.1150 5.8898 5.8898 5.8898 5.8898 7.9273 7.9273 7.9273 7.9273 8.0169 8.0169 8.0169 8.0169 8.6306 8.6306 8.6306 8.6306 9.8660 9.8660 9.8660 9.8660 10.4439 10.4439 k = 0.5000 0.2887 0.2308 ( 5704 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -6.6227 -6.6227 -6.6227 -6.6227 -4.7704 -4.7704 -4.7704 -4.7704 -4.5244 -4.5244 -4.5244 -4.5244 -0.1933 -0.1933 -0.1933 -0.1933 0.6738 0.6738 0.6738 0.6738 0.8184 0.8184 0.8184 0.8184 1.0159 1.0159 1.0159 1.0159 1.0503 1.0503 1.0503 1.0503 1.4549 1.4549 1.4549 1.4549 3.4026 3.4026 3.4026 3.4026 6.7563 6.7563 6.7563 6.7563 7.2207 7.2207 7.2207 7.2207 8.1314 8.1314 8.1314 8.1314 9.3815 9.3815 9.3815 9.3815 12.3868 12.3868 k = 0.5000 0.2887 0.2172 ( 5704 PWs) bands (ev): -19.8621 -19.8621 -19.8616 -19.8616 -6.6233 -6.6233 -6.6221 -6.6221 -4.7715 -4.7715 -4.7694 -4.7694 -4.5279 -4.5279 -4.5206 -4.5206 -0.2069 -0.2069 -0.1797 -0.1797 0.6727 0.6727 0.6750 0.6750 0.8169 0.8169 0.8200 0.8200 1.0149 1.0149 1.0170 1.0170 1.0494 1.0494 1.0511 1.0511 1.4465 1.4465 1.4635 1.4635 3.3656 3.3656 3.4404 3.4404 6.7228 6.7228 6.7903 6.7903 7.1744 7.1744 7.2666 7.2666 8.1003 8.1003 8.1556 8.1556 9.3760 9.3760 9.4011 9.4011 12.2883 12.2883 k = 0.5000 0.2887 0.2037 ( 5710 PWs) bands (ev): -19.8624 -19.8624 -19.8613 -19.8613 -6.6238 -6.6238 -6.6216 -6.6216 -4.7727 -4.7727 -4.7684 -4.7684 -4.5314 -4.5314 -4.5168 -4.5168 -0.2204 -0.2204 -0.1663 -0.1663 0.6716 0.6716 0.6761 0.6761 0.8154 0.8154 0.8215 0.8215 1.0139 1.0139 1.0180 1.0180 1.0486 1.0486 1.0519 1.0519 1.4382 1.4382 1.4720 1.4720 3.3294 3.3294 3.4785 3.4785 6.6903 6.6903 6.8247 6.8247 7.1279 7.1279 7.3116 7.3116 8.0636 8.0636 8.1719 8.1719 9.3856 9.3856 9.4333 9.4333 12.1927 12.1927 k = 0.5000 0.2887 0.1901 ( 5696 PWs) bands (ev): -19.8627 -19.8627 -19.8610 -19.8610 -6.6244 -6.6244 -6.6211 -6.6211 -4.7739 -4.7739 -4.7676 -4.7676 -4.5345 -4.5345 -4.5128 -4.5128 -0.2337 -0.2337 -0.1532 -0.1532 0.6705 0.6705 0.6772 0.6772 0.8139 0.8139 0.8231 0.8231 1.0129 1.0129 1.0191 1.0191 1.0479 1.0479 1.0528 1.0528 1.4302 1.4302 1.4806 1.4806 3.2944 3.2944 3.5167 3.5167 6.6589 6.6589 6.8590 6.8590 7.0819 7.0819 7.3554 7.3554 8.0228 8.0228 8.1801 8.1801 9.4107 9.4107 9.4763 9.4763 12.1005 12.1005 k = 0.5000 0.2887 0.1765 ( 5702 PWs) bands (ev): -19.8629 -19.8629 -19.8607 -19.8607 -6.6250 -6.6250 -6.6206 -6.6206 -4.7752 -4.7752 -4.7669 -4.7669 -4.5375 -4.5375 -4.5089 -4.5089 -0.2467 -0.2467 -0.1404 -0.1404 0.6694 0.6694 0.6783 0.6783 0.8124 0.8124 0.8245 0.8245 1.0119 1.0119 1.0201 1.0201 1.0471 1.0471 1.0537 1.0537 1.4224 1.4224 1.4891 1.4891 3.2608 3.2608 3.5546 3.5546 6.6288 6.6288 6.8926 6.8926 7.0370 7.0370 7.3977 7.3977 7.9797 7.9797 8.1807 8.1807 9.4507 9.4507 9.5285 9.5285 12.0121 12.0121 k = 0.5000 0.2887 0.1629 ( 5706 PWs) bands (ev): -19.8632 -19.8632 -19.8605 -19.8605 -6.6256 -6.6256 -6.6201 -6.6201 -4.7765 -4.7765 -4.7663 -4.7663 -4.5402 -4.5402 -4.5049 -4.5049 -0.2592 -0.2592 -0.1281 -0.1281 0.6684 0.6684 0.6794 0.6794 0.8110 0.8110 0.8260 0.8260 1.0110 1.0110 1.0211 1.0211 1.0464 1.0464 1.0545 1.0545 1.4150 1.4150 1.4974 1.4974 3.2289 3.2289 3.5919 3.5919 6.6002 6.6002 6.9237 6.9237 6.9952 6.9952 7.4382 7.4382 7.9354 7.9354 8.1746 8.1746 9.5044 9.5044 9.5881 9.5881 11.9279 11.9279 k = 0.5000 0.2887 0.1493 ( 5714 PWs) bands (ev): -19.8634 -19.8634 -19.8602 -19.8602 -6.6261 -6.6261 -6.6197 -6.6197 -4.7778 -4.7778 -4.7658 -4.7658 -4.5427 -4.5427 -4.5011 -4.5011 -0.2712 -0.2712 -0.1164 -0.1164 0.6674 0.6674 0.6804 0.6804 0.8097 0.8097 0.8274 0.8274 1.0101 1.0101 1.0221 1.0221 1.0457 1.0457 1.0553 1.0553 1.4080 1.4080 1.5054 1.5054 3.1988 3.1988 3.6283 3.6283 6.5733 6.5733 6.9336 6.9336 6.9753 6.9753 7.4766 7.4766 7.8913 7.8913 8.1633 8.1633 9.5702 9.5702 9.6537 9.6537 11.8485 11.8485 k = 0.5000 0.2887 0.1358 ( 5714 PWs) bands (ev): -19.8637 -19.8637 -19.8600 -19.8600 -6.6267 -6.6267 -6.6193 -6.6193 -4.7790 -4.7790 -4.7655 -4.7655 -4.5448 -4.5448 -4.4973 -4.4973 -0.2826 -0.2826 -0.1054 -0.1054 0.6665 0.6665 0.6814 0.6814 0.8084 0.8084 0.8287 0.8287 1.0093 1.0093 1.0230 1.0230 1.0451 1.0451 1.0561 1.0561 1.4015 1.4015 1.5130 1.5130 3.1706 3.1706 3.6633 3.6633 6.5482 6.5482 6.9009 6.9009 6.9986 6.9986 7.5126 7.5126 7.8483 7.8483 8.1484 8.1484 9.6460 9.6460 9.7242 9.7242 11.7740 11.7740 k = 0.5000 0.2887 0.1222 ( 5712 PWs) bands (ev): -19.8639 -19.8639 -19.8598 -19.8598 -6.6272 -6.6272 -6.6190 -6.6190 -4.7802 -4.7802 -4.7652 -4.7652 -4.5468 -4.5468 -4.4938 -4.4938 -0.2932 -0.2932 -0.0951 -0.0951 0.6657 0.6657 0.6823 0.6823 0.8073 0.8073 0.8299 0.8299 1.0085 1.0085 1.0238 1.0238 1.0445 1.0445 1.0568 1.0568 1.3954 1.3954 1.5203 1.5203 3.1447 3.1447 3.6967 3.6967 6.5252 6.5252 6.8634 6.8634 7.0275 7.0275 7.5461 7.5461 7.8073 7.8073 8.1311 8.1311 9.7292 9.7292 9.7991 9.7991 11.7050 11.7050 k = 0.5000 0.2887 0.1086 ( 5714 PWs) bands (ev): -19.8641 -19.8641 -19.8596 -19.8596 -6.6277 -6.6277 -6.6186 -6.6186 -4.7814 -4.7814 -4.7650 -4.7650 -4.5484 -4.5484 -4.4904 -4.4904 -0.3029 -0.3029 -0.0857 -0.0857 0.6649 0.6649 0.6831 0.6831 0.8062 0.8062 0.8310 0.8310 1.0078 1.0078 1.0247 1.0247 1.0440 1.0440 1.0575 1.0575 1.3898 1.3898 1.5270 1.5270 3.1210 3.1210 3.7279 3.7279 6.5042 6.5042 6.8276 6.8276 7.0555 7.0555 7.5769 7.5769 7.7690 7.7690 8.1128 8.1128 9.8156 9.8156 9.8796 9.8796 11.6419 11.6419 k = 0.5000 0.2887 0.0950 ( 5714 PWs) bands (ev): -19.8643 -19.8643 -19.8594 -19.8594 -6.6281 -6.6281 -6.6184 -6.6184 -4.7824 -4.7824 -4.7649 -4.7649 -4.5499 -4.5499 -4.4874 -4.4874 -0.3118 -0.3118 -0.0772 -0.0772 0.6642 0.6642 0.6839 0.6839 0.8052 0.8052 0.8321 0.8321 1.0072 1.0072 1.0254 1.0254 1.0435 1.0435 1.0581 1.0581 1.3848 1.3848 1.5332 1.5332 3.0999 3.0999 3.7567 3.7567 6.4854 6.4854 6.7946 6.7946 7.0816 7.0816 7.6046 7.6046 7.7341 7.7341 8.0944 8.0944 9.8989 9.8989 9.9689 9.9689 11.5850 11.5850 k = 0.5000 0.2887 0.0815 ( 5716 PWs) bands (ev): -19.8644 -19.8644 -19.8593 -19.8593 -6.6285 -6.6285 -6.6181 -6.6181 -4.7834 -4.7834 -4.7648 -4.7648 -4.5511 -4.5511 -4.4846 -4.4846 -0.3196 -0.3196 -0.0697 -0.0697 0.6635 0.6635 0.6846 0.6846 0.8043 0.8043 0.8330 0.8330 1.0066 1.0066 1.0261 1.0261 1.0430 1.0430 1.0587 1.0587 1.3804 1.3804 1.5387 1.5387 3.0813 3.0813 3.7825 3.7825 6.4690 6.4690 6.7650 6.7650 7.1051 7.1051 7.6290 7.6290 7.7031 7.7031 8.0769 8.0769 9.9743 9.9743 10.0689 10.0689 11.5347 11.5347 k = 0.5000 0.2887 0.0679 ( 5720 PWs) bands (ev): -19.8645 -19.8645 -19.8591 -19.8591 -6.6288 -6.6288 -6.6179 -6.6179 -4.7842 -4.7842 -4.7648 -4.7648 -4.5520 -4.5520 -4.4822 -4.4822 -0.3263 -0.3263 -0.0633 -0.0633 0.6630 0.6630 0.6852 0.6852 0.8036 0.8036 0.8338 0.8338 1.0062 1.0062 1.0266 1.0266 1.0427 1.0427 1.0592 1.0592 1.3767 1.3767 1.5435 1.5435 3.0654 3.0654 3.8051 3.8051 6.4549 6.4549 6.7393 6.7393 7.1258 7.1258 7.6490 7.6490 7.6774 7.6774 8.0609 8.0609 10.0410 10.0410 10.1773 10.1773 11.4908 11.4908 k = 0.5000 0.2887 0.0543 ( 5716 PWs) bands (ev): -19.8647 -19.8647 -19.8590 -19.8590 -6.6291 -6.6291 -6.6177 -6.6177 -4.7849 -4.7849 -4.7648 -4.7648 -4.5528 -4.5528 -4.4802 -4.4802 -0.3319 -0.3319 -0.0579 -0.0579 0.6626 0.6626 0.6857 0.6857 0.8030 0.8030 0.8344 0.8344 1.0058 1.0058 1.0271 1.0271 1.0424 1.0424 1.0596 1.0596 1.3735 1.3735 1.5475 1.5475 3.0522 3.0522 3.8242 3.8242 6.4434 6.4434 6.7176 6.7176 7.1432 7.1432 7.6494 7.6494 7.6722 7.6722 8.0469 8.0469 10.0986 10.0986 10.2907 10.2907 11.4147 11.4147 k = 0.5000 0.2887 0.0407 ( 5728 PWs) bands (ev): -19.8648 -19.8648 -19.8589 -19.8589 -6.6293 -6.6293 -6.6176 -6.6176 -4.7855 -4.7855 -4.7648 -4.7648 -4.5534 -4.5534 -4.4786 -4.4786 -0.3363 -0.3363 -0.0537 -0.0537 0.6622 0.6622 0.6861 0.6861 0.8024 0.8024 0.8350 0.8350 1.0054 1.0054 1.0275 1.0275 1.0421 1.0421 1.0600 1.0600 1.3711 1.3711 1.5507 1.5507 3.0419 3.0419 3.8393 3.8393 6.4343 6.4343 6.7005 6.7005 7.1570 7.1570 7.6333 7.6333 7.6847 7.6847 8.0355 8.0355 10.1460 10.1460 10.4061 10.4061 11.2860 11.2860 k = 0.5000 0.2887 0.0272 ( 5732 PWs) bands (ev): -19.8648 -19.8648 -19.8588 -19.8588 -6.6295 -6.6295 -6.6175 -6.6175 -4.7859 -4.7859 -4.7649 -4.7649 -4.5538 -4.5538 -4.4774 -4.4774 -0.3395 -0.3395 -0.0507 -0.0507 0.6620 0.6620 0.6864 0.6864 0.8021 0.8021 0.8353 0.8353 1.0052 1.0052 1.0278 1.0278 1.0419 1.0419 1.0602 1.0602 1.3693 1.3693 1.5530 1.5530 3.0345 3.0345 3.8503 3.8503 6.4278 6.4278 6.6881 6.6881 7.1671 7.1671 7.6207 7.6207 7.6947 7.6947 8.0270 8.0270 10.1815 10.1815 10.5184 10.5184 11.1635 11.1635 k = 0.5000 0.2887 0.0136 ( 5724 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6296 -6.6296 -6.6174 -6.6174 -4.7861 -4.7861 -4.7649 -4.7649 -4.5541 -4.5541 -4.4767 -4.4767 -0.3414 -0.3414 -0.0489 -0.0489 0.6618 0.6618 0.6866 0.6866 0.8019 0.8019 0.8356 0.8356 1.0051 1.0051 1.0279 1.0279 1.0418 1.0418 1.0604 1.0604 1.3682 1.3682 1.5544 1.5544 3.0301 3.0301 3.8570 3.8570 6.4238 6.4238 6.6805 6.6805 7.1732 7.1732 7.6130 7.6130 7.7009 7.7009 8.0217 8.0217 10.2036 10.2036 10.6152 10.6152 11.0606 11.0606 k = 0.5000 0.2887-0.0000 ( 5728 PWs) bands (ev): -19.8649 -19.8649 -19.8588 -19.8588 -6.6296 -6.6296 -6.6174 -6.6174 -4.7862 -4.7862 -4.7649 -4.7649 -4.5542 -4.5542 -4.4765 -4.4765 -0.3421 -0.3421 -0.0483 -0.0483 0.6618 0.6618 0.6866 0.6866 0.8018 0.8018 0.8356 0.8356 1.0050 1.0050 1.0280 1.0280 1.0418 1.0418 1.0604 1.0604 1.3678 1.3678 1.5549 1.5549 3.0286 3.0286 3.8592 3.8592 6.4225 6.4225 6.6780 6.6780 7.1753 7.1753 7.6104 7.6104 7.7030 7.7030 8.0200 8.0200 10.2111 10.2111 10.6598 10.6598 11.0138 11.0138 k = 0.3333 0.5774-0.0000 ( 5757 PWs) bands (ev): -19.8609 -19.8609 -19.8549 -19.8549 -6.6351 -6.6351 -6.6258 -6.6258 -4.7780 -4.7780 -4.7011 -4.7011 -4.6590 -4.6590 -4.5488 -4.5488 -0.1554 -0.1554 -0.0416 -0.0416 0.6603 0.6603 0.6727 0.6727 0.7069 0.7069 0.9569 0.9569 1.0033 1.0033 1.0176 1.0176 1.0287 1.0287 1.0677 1.0677 1.4735 1.4735 1.6529 1.6529 3.3533 3.3533 3.3813 3.3813 5.0986 5.0986 6.2407 6.2407 7.2928 7.2928 7.3796 7.3796 8.4785 8.4785 8.5430 8.5430 10.4543 10.4543 10.5069 10.5069 11.6096 11.6096 k = 0.3333 0.5774 0.0136 ( 5757 PWs) bands (ev): -19.8608 -19.8608 -19.8549 -19.8549 -6.6350 -6.6350 -6.6258 -6.6258 -4.7779 -4.7779 -4.7013 -4.7013 -4.6588 -4.6588 -4.5490 -4.5490 -0.1554 -0.1554 -0.0415 -0.0415 0.6603 0.6603 0.6727 0.6727 0.7069 0.7069 0.9569 0.9569 1.0033 1.0033 1.0176 1.0176 1.0287 1.0287 1.0677 1.0677 1.4735 1.4735 1.6530 1.6530 3.3532 3.3532 3.3812 3.3812 5.1007 5.1007 6.2378 6.2378 7.2927 7.2927 7.3795 7.3795 8.4771 8.4771 8.5418 8.5418 10.4594 10.4594 10.5121 10.5121 11.6112 11.6112 k = 0.3333 0.5774 0.0272 ( 5751 PWs) bands (ev): -19.8608 -19.8608 -19.8550 -19.8550 -6.6350 -6.6350 -6.6258 -6.6258 -4.7774 -4.7774 -4.7017 -4.7017 -4.6582 -4.6582 -4.5498 -4.5498 -0.1553 -0.1553 -0.0414 -0.0414 0.6603 0.6603 0.6727 0.6727 0.7070 0.7070 0.9568 0.9568 1.0032 1.0032 1.0176 1.0176 1.0287 1.0287 1.0677 1.0677 1.4736 1.4736 1.6532 1.6532 3.3530 3.3530 3.3807 3.3807 5.1070 5.1070 6.2291 6.2291 7.2925 7.2925 7.3790 7.3790 8.4728 8.4728 8.5383 8.5383 10.4746 10.4746 10.5276 10.5276 11.6161 11.6161 k = 0.3333 0.5774 0.0407 ( 5742 PWs) bands (ev): -19.8607 -19.8607 -19.8550 -19.8550 -6.6349 -6.6349 -6.6259 -6.6259 -4.7767 -4.7767 -4.7026 -4.7026 -4.6571 -4.6571 -4.5510 -4.5510 -0.1552 -0.1552 -0.0411 -0.0411 0.6602 0.6602 0.6726 0.6726 0.7070 0.7070 0.9568 0.9568 1.0032 1.0032 1.0175 1.0175 1.0286 1.0286 1.0677 1.0677 1.4738 1.4738 1.6536 1.6536 3.3526 3.3526 3.3800 3.3800 5.1174 5.1174 6.2147 6.2147 7.2922 7.2922 7.3783 7.3783 8.4658 8.4658 8.5325 8.5325 10.4998 10.4998 10.5533 10.5533 11.6242 11.6242 k = 0.3333 0.5774 0.0543 ( 5721 PWs) bands (ev): -19.8607 -19.8607 -19.8551 -19.8551 -6.6347 -6.6347 -6.6260 -6.6260 -4.7756 -4.7756 -4.7037 -4.7037 -4.6556 -4.6556 -4.5528 -4.5528 -0.1551 -0.1551 -0.0408 -0.0408 0.6602 0.6602 0.6726 0.6726 0.7071 0.7071 0.9568 0.9568 1.0032 1.0032 1.0175 1.0175 1.0286 1.0286 1.0678 1.0678 1.4740 1.4740 1.6540 1.6540 3.3520 3.3520 3.3789 3.3789 5.1320 5.1320 6.1949 6.1949 7.2917 7.2917 7.3774 7.3774 8.4566 8.4566 8.5249 8.5249 10.5344 10.5344 10.5886 10.5886 11.6356 11.6356 k = 0.3333 0.5774 0.0679 ( 5733 PWs) bands (ev): -19.8605 -19.8605 -19.8552 -19.8552 -6.6345 -6.6345 -6.6261 -6.6261 -4.7742 -4.7742 -4.7051 -4.7051 -4.6537 -4.6537 -4.5550 -4.5550 -0.1549 -0.1549 -0.0405 -0.0405 0.6601 0.6601 0.6725 0.6725 0.7072 0.7072 0.9567 0.9567 1.0031 1.0031 1.0174 1.0174 1.0286 1.0286 1.0678 1.0678 1.4743 1.4743 1.6546 1.6546 3.3514 3.3514 3.3777 3.3777 5.1505 5.1505 6.1699 6.1699 7.2911 7.2911 7.3762 7.3762 8.4454 8.4454 8.5157 8.5157 10.5782 10.5782 10.6332 10.6332 11.6501 11.6501 k = 0.3333 0.5774 0.0815 ( 5739 PWs) bands (ev): -19.8604 -19.8604 -19.8554 -19.8554 -6.6343 -6.6343 -6.6262 -6.6262 -4.7726 -4.7726 -4.7068 -4.7068 -4.6514 -4.6514 -4.5577 -4.5577 -0.1547 -0.1547 -0.0400 -0.0400 0.6601 0.6601 0.6724 0.6724 0.7073 0.7073 0.9566 0.9566 1.0030 1.0030 1.0173 1.0173 1.0285 1.0285 1.0679 1.0679 1.4746 1.4746 1.6552 1.6552 3.3506 3.3506 3.3763 3.3763 5.1730 5.1730 6.1400 6.1400 7.2904 7.2904 7.3749 7.3749 8.4329 8.4329 8.5054 8.5054 10.6305 10.6305 10.6864 10.6864 11.6679 11.6679 k = 0.3333 0.5774 0.0950 ( 5736 PWs) bands (ev): -19.8603 -19.8603 -19.8555 -19.8555 -6.6340 -6.6340 -6.6264 -6.6264 -4.7708 -4.7708 -4.7088 -4.7088 -4.6488 -4.6488 -4.5607 -4.5607 -0.1545 -0.1545 -0.0396 -0.0396 0.6600 0.6600 0.6723 0.6723 0.7074 0.7074 0.9565 0.9565 1.0029 1.0029 1.0172 1.0172 1.0284 1.0284 1.0680 1.0680 1.4750 1.4750 1.6559 1.6559 3.3498 3.3498 3.3747 3.3747 5.1992 5.1992 6.1058 6.1058 7.2897 7.2897 7.3734 7.3734 8.4196 8.4196 8.4944 8.4944 10.6909 10.6909 10.7476 10.7476 11.6888 11.6888 k = 0.3333 0.5774 0.1086 ( 5748 PWs) bands (ev): -19.8601 -19.8601 -19.8557 -19.8557 -6.6337 -6.6337 -6.6266 -6.6266 -4.7686 -4.7686 -4.7110 -4.7110 -4.6457 -4.6457 -4.5642 -4.5642 -0.1543 -0.1543 -0.0391 -0.0391 0.6598 0.6598 0.6721 0.6721 0.7075 0.7075 0.9564 0.9564 1.0028 1.0028 1.0171 1.0171 1.0283 1.0283 1.0681 1.0681 1.4754 1.4754 1.6567 1.6567 3.3489 3.3489 3.3731 3.3731 5.2290 5.2290 6.0675 6.0675 7.2890 7.2890 7.3719 7.3719 8.4058 8.4058 8.4831 8.4831 10.7586 10.7586 10.8161 10.8161 11.7129 11.7129 k = 0.3333 0.5774 0.1222 ( 5751 PWs) bands (ev): -19.8599 -19.8599 -19.8559 -19.8559 -6.6334 -6.6334 -6.6268 -6.6268 -4.7663 -4.7663 -4.7134 -4.7134 -4.6423 -4.6423 -4.5680 -4.5680 -0.1541 -0.1541 -0.0386 -0.0386 0.6597 0.6597 0.6720 0.6720 0.7076 0.7076 0.9563 0.9563 1.0027 1.0027 1.0170 1.0170 1.0282 1.0282 1.0681 1.0681 1.4758 1.4758 1.6574 1.6574 3.3481 3.3481 3.3714 3.3714 5.2623 5.2623 6.0257 6.0257 7.2882 7.2882 7.3703 7.3703 8.3922 8.3922 8.4720 8.4720 10.8331 10.8331 10.8913 10.8913 11.7400 11.7400 k = 0.3333 0.5774 0.1358 ( 5742 PWs) bands (ev): -19.8597 -19.8597 -19.8561 -19.8561 -6.6330 -6.6330 -6.6270 -6.6270 -4.7638 -4.7638 -4.7160 -4.7160 -4.6387 -4.6387 -4.5721 -4.5721 -0.1539 -0.1539 -0.0381 -0.0381 0.6597 0.6597 0.6719 0.6719 0.7078 0.7078 0.9562 0.9562 1.0026 1.0026 1.0169 1.0169 1.0282 1.0282 1.0682 1.0682 1.4762 1.4762 1.6582 1.6582 3.3472 3.3472 3.3697 3.3697 5.2988 5.2988 5.9809 5.9809 7.2875 7.2875 7.3688 7.3688 8.3792 8.3792 8.4613 8.4613 10.9137 10.9137 10.9726 10.9726 11.7703 11.7703 k = 0.3333 0.5774 0.1493 ( 5745 PWs) bands (ev): -19.8595 -19.8595 -19.8563 -19.8563 -6.6327 -6.6327 -6.6272 -6.6272 -4.7611 -4.7611 -4.7188 -4.7188 -4.6347 -4.6347 -4.5765 -4.5765 -0.1537 -0.1537 -0.0376 -0.0376 0.6596 0.6596 0.6718 0.6718 0.7079 0.7079 0.9561 0.9561 1.0025 1.0025 1.0168 1.0168 1.0281 1.0281 1.0683 1.0683 1.4765 1.4765 1.6589 1.6589 3.3464 3.3464 3.3682 3.3682 5.3382 5.3382 5.9336 5.9336 7.2869 7.2869 7.3674 7.3674 8.3670 8.3670 8.4514 8.4514 11.0000 11.0000 11.0593 11.0593 11.8035 11.8035 k = 0.3333 0.5774 0.1629 ( 5754 PWs) bands (ev): -19.8592 -19.8592 -19.8566 -19.8566 -6.6323 -6.6323 -6.6274 -6.6274 -4.7583 -4.7583 -4.7217 -4.7217 -4.6304 -4.6304 -4.5811 -4.5811 -0.1535 -0.1535 -0.0372 -0.0372 0.6595 0.6595 0.6717 0.6717 0.7080 0.7080 0.9560 0.9560 1.0024 1.0024 1.0166 1.0166 1.0280 1.0280 1.0684 1.0684 1.4769 1.4769 1.6596 1.6596 3.3456 3.3456 3.3667 3.3667 5.3804 5.3804 5.8843 5.8843 7.2863 7.2863 7.3661 7.3661 8.3562 8.3562 8.4426 8.4426 11.0913 11.0913 11.1508 11.1508 11.8397 11.8397 k = 0.3333 0.5774 0.1765 ( 5754 PWs) bands (ev): -19.8590 -19.8590 -19.8568 -19.8568 -6.6320 -6.6320 -6.6277 -6.6277 -4.7554 -4.7554 -4.7246 -4.7246 -4.6259 -4.6259 -4.5859 -4.5859 -0.1533 -0.1533 -0.0368 -0.0368 0.6594 0.6594 0.6716 0.6716 0.7081 0.7081 0.9560 0.9560 1.0023 1.0023 1.0166 1.0166 1.0280 1.0280 1.0684 1.0684 1.4771 1.4771 1.6601 1.6601 3.3450 3.3450 3.3655 3.3655 5.4250 5.4250 5.8336 5.8336 7.2858 7.2858 7.3649 7.3649 8.3470 8.3470 8.4351 8.4351 11.1870 11.1870 11.2465 11.2465 11.8787 11.8787 k = 0.3333 0.5774 0.1901 ( 5745 PWs) bands (ev): -19.8587 -19.8587 -19.8571 -19.8571 -6.6317 -6.6317 -6.6279 -6.6279 -4.7526 -4.7526 -4.7275 -4.7275 -4.6213 -4.6213 -4.5908 -4.5908 -0.1532 -0.1532 -0.0365 -0.0365 0.6593 0.6593 0.6715 0.6715 0.7081 0.7081 0.9559 0.9559 1.0023 1.0023 1.0165 1.0165 1.0280 1.0280 1.0685 1.0685 1.4774 1.4774 1.6606 1.6606 3.3444 3.3444 3.3645 3.3645 5.4717 5.4717 5.7819 5.7819 7.2854 7.2854 7.3640 7.3640 8.3396 8.3396 8.4291 8.4291 11.2863 11.2863 11.3459 11.3459 11.9200 11.9200 k = 0.3333 0.5774 0.2037 ( 5730 PWs) bands (ev): -19.8584 -19.8584 -19.8574 -19.8574 -6.6315 -6.6315 -6.6281 -6.6281 -4.7500 -4.7500 -4.7301 -4.7301 -4.6165 -4.6165 -4.5958 -4.5958 -0.1531 -0.1531 -0.0362 -0.0362 0.6593 0.6593 0.6715 0.6715 0.7082 0.7082 0.9559 0.9559 1.0022 1.0022 1.0165 1.0165 1.0279 1.0279 1.0685 1.0685 1.4776 1.4776 1.6610 1.6610 3.3440 3.3440 3.3637 3.3637 5.5200 5.5200 5.7299 5.7299 7.2851 7.2851 7.3633 7.3633 8.3341 8.3341 8.4247 8.4247 11.3883 11.3883 11.4481 11.4481 11.8348 11.8348 k = 0.3333 0.5774 0.2172 ( 5724 PWs) bands (ev): -19.8582 -19.8582 -19.8576 -19.8576 -6.6313 -6.6313 -6.6282 -6.6282 -4.7480 -4.7480 -4.7322 -4.7322 -4.6117 -4.6117 -4.6007 -4.6007 -0.1530 -0.1530 -0.0361 -0.0361 0.6593 0.6593 0.6715 0.6715 0.7082 0.7082 0.9559 0.9559 1.0022 1.0022 1.0165 1.0165 1.0279 1.0279 1.0685 1.0685 1.4777 1.4777 1.6612 1.6612 3.3438 3.3438 3.3632 3.3632 5.5689 5.5689 5.6788 5.6788 7.2849 7.2849 7.3629 7.3629 8.3308 8.3308 8.4221 8.4221 11.4900 11.4900 11.5526 11.5526 11.7288 11.7288 k = 0.3333 0.5774 0.2308 ( 5718 PWs) bands (ev): -19.8579 -19.8579 -19.8579 -19.8579 -6.6312 -6.6312 -6.6283 -6.6283 -4.7472 -4.7472 -4.7330 -4.7330 -4.6084 -4.6084 -4.6041 -4.6041 -0.1530 -0.1530 -0.0361 -0.0361 0.6593 0.6593 0.6715 0.6715 0.7083 0.7083 0.9559 0.9559 1.0022 1.0022 1.0165 1.0165 1.0279 1.0279 1.0685 1.0685 1.4777 1.4777 1.6612 1.6612 3.3437 3.3437 3.3631 3.3631 5.6054 5.6054 5.6416 5.6416 7.2848 7.2848 7.3627 7.3627 8.3297 8.3297 8.4212 8.4212 11.5611 11.5611 11.6563 11.6563 11.6570 11.6570 Writing output data file BaZnGe.save init_run : 0.32s CPU 0.48s WALL ( 1 calls) electrons : 201.96s CPU 204.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 201.95s CPU 204.83s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 284 calls) cegterg : 187.54s CPU 189.82s WALL ( 420 calls) Called by sum_band: Called by *egterg: h_psi : 98.50s CPU 100.10s WALL ( 6656 calls) s_psi : 7.56s CPU 7.51s WALL ( 6656 calls) g_psi : 0.37s CPU 0.34s WALL ( 5952 calls) cdiaghg : 67.87s CPU 68.74s WALL ( 6236 calls) cegterg:over : 9.27s CPU 9.42s WALL ( 5952 calls) cegterg:upda : 8.42s CPU 8.51s WALL ( 5952 calls) cegterg:last : 3.94s CPU 3.96s WALL ( 1032 calls) cdiaghg:chol : 3.80s CPU 3.96s WALL ( 6236 calls) cdiaghg:inve : 3.00s CPU 2.89s WALL ( 6236 calls) cdiaghg:para : 4.88s CPU 4.84s WALL ( 12472 calls) Called by h_psi: h_psi:vloc : 82.56s CPU 84.03s WALL ( 6656 calls) h_psi:vnl : 15.67s CPU 15.74s WALL ( 6656 calls) add_vuspsi : 8.33s CPU 8.37s WALL ( 6656 calls) General routines calbec : 7.32s CPU 7.35s WALL ( 6656 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.57s CPU 78.64s WALL ( 832984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.27s WALL ( 568 calls) Parallel routines fft_scatter : 27.14s CPU 27.87s WALL ( 833007 calls) PWSCF : 3m42.23s CPU 3m56.02s WALL This run was terminated on: 14:13:41 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=