Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:56:33 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: ./SrCuSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.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 36 25 7 2102 1213 191 Max 38 26 8 2106 1246 198 Sum 1333 925 265 75757 44351 6915 bravais-lattice index = 14 lattice parameter (alat) = 8.5416 a.u. unit-cell volume = 1051.9132 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.541561 celldm(2)= 1.000000 celldm(3)= 1.949115 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.949115 ) 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 0.513053 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) Sr 10.00 87.62000 Sr( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9745575 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9745575 ) 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0034843 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0034843 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0034843 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0034843 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0034843 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0034843 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0034843 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0034843 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0034843 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0034843 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0034843 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0034843 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0034843 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0034843 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0034843 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0034843 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0034843 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0034843 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0034843 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0034843 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0034843 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0034843 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0034843 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0034843 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0034843 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0034843 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0034843 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0034843 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0034843 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0034843 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0034843 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0034843 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0034843 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0034843 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0034843 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0034843 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0034843 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0034843 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0034843 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0034843 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0034843 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0034843 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0034843 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034843 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0034843 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034843 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0034843 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0034843 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0034843 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034843 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0034843 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0034843 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034843 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0034843 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0034843 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0034843 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0034843 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0034843 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0034843 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0034843 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0034843 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0034843 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0034843 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0034843 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0034843 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0034843 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0034843 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0034843 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0034843 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0034843 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0034843 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0034843 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0034843 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0034843 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0034843 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0034843 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0034843 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0034843 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0034843 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0034843 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0034843 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0034843 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0034843 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0034843 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0034843 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0034843 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0034843 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0034843 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0034843 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0034843 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0034843 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0034843 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0034843 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0034843 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0034843 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0034843 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0034843 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0034843 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0034843 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0034843 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0034843 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0034843 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0142515), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.0285030), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.0427544), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.0570059), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.0712574), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.0855089), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.0997604), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.1140119), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.1282633), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.1425148), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.1567663), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.1710178), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.1852693), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.1995207), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.2137722), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.2280237), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.2422752), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.2565267), wk = 0.0034843 k( 135) = ( 0.0000000 0.0000000 0.2565267), wk = 0.0034843 k( 136) = ( 0.0121951 0.0070409 0.2565267), wk = 0.0034843 k( 137) = ( 0.0243902 0.0140817 0.2565267), wk = 0.0034843 k( 138) = ( 0.0365854 0.0211226 0.2565267), wk = 0.0034843 k( 139) = ( 0.0487805 0.0281634 0.2565267), wk = 0.0034843 k( 140) = ( 0.0609756 0.0352043 0.2565267), wk = 0.0034843 k( 141) = ( 0.0731707 0.0422451 0.2565267), wk = 0.0034843 k( 142) = ( 0.0853658 0.0492860 0.2565267), wk = 0.0034843 k( 143) = ( 0.0975610 0.0563269 0.2565267), wk = 0.0034843 k( 144) = ( 0.1097561 0.0633677 0.2565267), wk = 0.0034843 k( 145) = ( 0.1219512 0.0704086 0.2565267), wk = 0.0034843 k( 146) = ( 0.1341463 0.0774494 0.2565267), wk = 0.0034843 k( 147) = ( 0.1463415 0.0844903 0.2565267), wk = 0.0034843 k( 148) = ( 0.1585366 0.0915311 0.2565267), wk = 0.0034843 k( 149) = ( 0.1707317 0.0985720 0.2565267), wk = 0.0034843 k( 150) = ( 0.1829268 0.1056129 0.2565267), wk = 0.0034843 k( 151) = ( 0.1951219 0.1126537 0.2565267), wk = 0.0034843 k( 152) = ( 0.2073171 0.1196946 0.2565267), wk = 0.0034843 k( 153) = ( 0.2195122 0.1267354 0.2565267), wk = 0.0034843 k( 154) = ( 0.2317073 0.1337763 0.2565267), wk = 0.0034843 k( 155) = ( 0.2439024 0.1408171 0.2565267), wk = 0.0034843 k( 156) = ( 0.2560976 0.1478580 0.2565267), wk = 0.0034843 k( 157) = ( 0.2682927 0.1548989 0.2565267), wk = 0.0034843 k( 158) = ( 0.2804878 0.1619397 0.2565267), wk = 0.0034843 k( 159) = ( 0.2926829 0.1689806 0.2565267), wk = 0.0034843 k( 160) = ( 0.3048781 0.1760214 0.2565267), wk = 0.0034843 k( 161) = ( 0.3170732 0.1830623 0.2565267), wk = 0.0034843 k( 162) = ( 0.3292683 0.1901031 0.2565267), wk = 0.0034843 k( 163) = ( 0.3414634 0.1971440 0.2565267), wk = 0.0034843 k( 164) = ( 0.3536585 0.2041849 0.2565267), wk = 0.0034843 k( 165) = ( 0.3658537 0.2112257 0.2565267), wk = 0.0034843 k( 166) = ( 0.3780488 0.2182666 0.2565267), wk = 0.0034843 k( 167) = ( 0.3902439 0.2253074 0.2565267), wk = 0.0034843 k( 168) = ( 0.4024390 0.2323483 0.2565267), wk = 0.0034843 k( 169) = ( 0.4146341 0.2393891 0.2565267), wk = 0.0034843 k( 170) = ( 0.4268293 0.2464300 0.2565267), wk = 0.0034843 k( 171) = ( 0.4390244 0.2534708 0.2565267), wk = 0.0034843 k( 172) = ( 0.4512195 0.2605117 0.2565267), wk = 0.0034843 k( 173) = ( 0.4634146 0.2675526 0.2565267), wk = 0.0034843 k( 174) = ( 0.4756098 0.2745934 0.2565267), wk = 0.0034843 k( 175) = ( 0.4878049 0.2816343 0.2565267), wk = 0.0034843 k( 176) = ( 0.5000000 0.2886751 0.2565267), wk = 0.0034843 k( 177) = ( 0.5000000 0.2886751 0.2565267), wk = 0.0034843 k( 178) = ( 0.4930556 0.3007033 0.2565267), wk = 0.0034843 k( 179) = ( 0.4861111 0.3127314 0.2565267), wk = 0.0034843 k( 180) = ( 0.4791667 0.3247595 0.2565267), wk = 0.0034843 k( 181) = ( 0.4722222 0.3367877 0.2565267), wk = 0.0034843 k( 182) = ( 0.4652778 0.3488158 0.2565267), wk = 0.0034843 k( 183) = ( 0.4583333 0.3608439 0.2565267), wk = 0.0034843 k( 184) = ( 0.4513889 0.3728720 0.2565267), wk = 0.0034843 k( 185) = ( 0.4444444 0.3849002 0.2565267), wk = 0.0034843 k( 186) = ( 0.4375000 0.3969283 0.2565267), wk = 0.0034843 k( 187) = ( 0.4305556 0.4089564 0.2565267), wk = 0.0034843 k( 188) = ( 0.4236111 0.4209846 0.2565267), wk = 0.0034843 k( 189) = ( 0.4166667 0.4330127 0.2565267), wk = 0.0034843 k( 190) = ( 0.4097222 0.4450408 0.2565267), wk = 0.0034843 k( 191) = ( 0.4027778 0.4570690 0.2565267), wk = 0.0034843 k( 192) = ( 0.3958333 0.4690971 0.2565267), wk = 0.0034843 k( 193) = ( 0.3888889 0.4811252 0.2565267), wk = 0.0034843 k( 194) = ( 0.3819444 0.4931534 0.2565267), wk = 0.0034843 k( 195) = ( 0.3750000 0.5051815 0.2565267), wk = 0.0034843 k( 196) = ( 0.3680556 0.5172096 0.2565267), wk = 0.0034843 k( 197) = ( 0.3611111 0.5292377 0.2565267), wk = 0.0034843 k( 198) = ( 0.3541667 0.5412659 0.2565267), wk = 0.0034843 k( 199) = ( 0.3472222 0.5532940 0.2565267), wk = 0.0034843 k( 200) = ( 0.3402778 0.5653221 0.2565267), wk = 0.0034843 k( 201) = ( 0.3333333 0.5773503 0.2565267), wk = 0.0034843 k( 202) = ( 0.3333333 0.5773503 0.2565267), wk = 0.0034843 k( 203) = ( 0.3262411 0.5650662 0.2565267), wk = 0.0034843 k( 204) = ( 0.3191489 0.5527822 0.2565267), wk = 0.0034843 k( 205) = ( 0.3120567 0.5404981 0.2565267), wk = 0.0034843 k( 206) = ( 0.3049645 0.5282141 0.2565267), wk = 0.0034843 k( 207) = ( 0.2978723 0.5159300 0.2565267), wk = 0.0034843 k( 208) = ( 0.2907801 0.5036460 0.2565267), wk = 0.0034843 k( 209) = ( 0.2836879 0.4913619 0.2565267), wk = 0.0034843 k( 210) = ( 0.2765957 0.4790779 0.2565267), wk = 0.0034843 k( 211) = ( 0.2695035 0.4667938 0.2565267), wk = 0.0034843 k( 212) = ( 0.2624113 0.4545098 0.2565267), wk = 0.0034843 k( 213) = ( 0.2553191 0.4422257 0.2565267), wk = 0.0034843 k( 214) = ( 0.2482270 0.4299417 0.2565267), wk = 0.0034843 k( 215) = ( 0.2411348 0.4176576 0.2565267), wk = 0.0034843 k( 216) = ( 0.2340425 0.4053736 0.2565267), wk = 0.0034843 k( 217) = ( 0.2269503 0.3930895 0.2565267), wk = 0.0034843 k( 218) = ( 0.2198582 0.3808055 0.2565267), wk = 0.0034843 k( 219) = ( 0.2127660 0.3685215 0.2565267), wk = 0.0034843 k( 220) = ( 0.2056738 0.3562374 0.2565267), wk = 0.0034843 k( 221) = ( 0.1985816 0.3439534 0.2565267), wk = 0.0034843 k( 222) = ( 0.1914894 0.3316693 0.2565267), wk = 0.0034843 k( 223) = ( 0.1843972 0.3193852 0.2565267), wk = 0.0034843 k( 224) = ( 0.1773050 0.3071012 0.2565267), wk = 0.0034843 k( 225) = ( 0.1702128 0.2948172 0.2565267), wk = 0.0034843 k( 226) = ( 0.1631206 0.2825331 0.2565267), wk = 0.0034843 k( 227) = ( 0.1560284 0.2702491 0.2565267), wk = 0.0034843 k( 228) = ( 0.1489362 0.2579650 0.2565267), wk = 0.0034843 k( 229) = ( 0.1418440 0.2456810 0.2565267), wk = 0.0034843 k( 230) = ( 0.1347518 0.2333969 0.2565267), wk = 0.0034843 k( 231) = ( 0.1276596 0.2211129 0.2565267), wk = 0.0034843 k( 232) = ( 0.1205674 0.2088288 0.2565267), wk = 0.0034843 k( 233) = ( 0.1134752 0.1965448 0.2565267), wk = 0.0034843 k( 234) = ( 0.1063830 0.1842607 0.2565267), wk = 0.0034843 k( 235) = ( 0.0992908 0.1719767 0.2565267), wk = 0.0034843 k( 236) = ( 0.0921986 0.1596926 0.2565267), wk = 0.0034843 k( 237) = ( 0.0851064 0.1474086 0.2565267), wk = 0.0034843 k( 238) = ( 0.0780142 0.1351245 0.2565267), wk = 0.0034843 k( 239) = ( 0.0709220 0.1228405 0.2565267), wk = 0.0034843 k( 240) = ( 0.0638298 0.1105564 0.2565267), wk = 0.0034843 k( 241) = ( 0.0567376 0.0982724 0.2565267), wk = 0.0034843 k( 242) = ( 0.0496454 0.0859883 0.2565267), wk = 0.0034843 k( 243) = ( 0.0425532 0.0737043 0.2565267), wk = 0.0034843 k( 244) = ( 0.0354610 0.0614202 0.2565267), wk = 0.0034843 k( 245) = ( 0.0283688 0.0491362 0.2565267), wk = 0.0034843 k( 246) = ( 0.0212766 0.0368522 0.2565267), wk = 0.0034843 k( 247) = ( 0.0141844 0.0245681 0.2565267), wk = 0.0034843 k( 248) = ( 0.0070922 0.0122841 0.2565267), wk = 0.0034843 k( 249) = ( 0.0000000 0.0000000 0.2565267), wk = 0.0034843 k( 250) = ( 0.5000000 0.2886751 0.2565267), wk = 0.0034843 k( 251) = ( 0.5000000 0.2886751 0.2422752), wk = 0.0034843 k( 252) = ( 0.5000000 0.2886751 0.2280237), wk = 0.0034843 k( 253) = ( 0.5000000 0.2886751 0.2137722), wk = 0.0034843 k( 254) = ( 0.5000000 0.2886751 0.1995207), wk = 0.0034843 k( 255) = ( 0.5000000 0.2886751 0.1852693), wk = 0.0034843 k( 256) = ( 0.5000000 0.2886751 0.1710178), wk = 0.0034843 k( 257) = ( 0.5000000 0.2886751 0.1567663), wk = 0.0034843 k( 258) = ( 0.5000000 0.2886751 0.1425148), wk = 0.0034843 k( 259) = ( 0.5000000 0.2886751 0.1282633), wk = 0.0034843 k( 260) = ( 0.5000000 0.2886751 0.1140119), wk = 0.0034843 k( 261) = ( 0.5000000 0.2886751 0.0997604), wk = 0.0034843 k( 262) = ( 0.5000000 0.2886751 0.0855089), wk = 0.0034843 k( 263) = ( 0.5000000 0.2886751 0.0712574), wk = 0.0034843 k( 264) = ( 0.5000000 0.2886751 0.0570059), wk = 0.0034843 k( 265) = ( 0.5000000 0.2886751 0.0427544), wk = 0.0034843 k( 266) = ( 0.5000000 0.2886751 0.0285030), wk = 0.0034843 k( 267) = ( 0.5000000 0.2886751 0.0142515), wk = 0.0034843 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034843 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034843 k( 270) = ( 0.3333333 0.5773503 0.0142515), wk = 0.0034843 k( 271) = ( 0.3333333 0.5773503 0.0285030), wk = 0.0034843 k( 272) = ( 0.3333333 0.5773503 0.0427544), wk = 0.0034843 k( 273) = ( 0.3333333 0.5773503 0.0570059), wk = 0.0034843 k( 274) = ( 0.3333333 0.5773503 0.0712574), wk = 0.0034843 k( 275) = ( 0.3333333 0.5773503 0.0855089), wk = 0.0034843 k( 276) = ( 0.3333333 0.5773503 0.0997604), wk = 0.0034843 k( 277) = ( 0.3333333 0.5773503 0.1140119), wk = 0.0034843 k( 278) = ( 0.3333333 0.5773503 0.1282633), wk = 0.0034843 k( 279) = ( 0.3333333 0.5773503 0.1425148), wk = 0.0034843 k( 280) = ( 0.3333333 0.5773503 0.1567663), wk = 0.0034843 k( 281) = ( 0.3333333 0.5773503 0.1710178), wk = 0.0034843 k( 282) = ( 0.3333333 0.5773503 0.1852693), wk = 0.0034843 k( 283) = ( 0.3333333 0.5773503 0.1995207), wk = 0.0034843 k( 284) = ( 0.3333333 0.5773503 0.2137722), wk = 0.0034843 k( 285) = ( 0.3333333 0.5773503 0.2280237), wk = 0.0034843 k( 286) = ( 0.3333333 0.5773503 0.2422752), wk = 0.0034843 k( 287) = ( 0.3333333 0.5773503 0.2565267), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0034843 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0034843 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0034843 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0034843 k( 6) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0034843 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0034843 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0034843 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0034843 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0034843 k( 11) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0034843 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0034843 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0034843 k( 14) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0034843 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0034843 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0034843 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0034843 k( 18) = ( 0.2073171 0.0000000 0.0000000), wk = 0.0034843 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0034843 k( 20) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0034843 k( 21) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0034843 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0034843 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0034843 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0034843 k( 25) = ( 0.2926829 0.0000000 -0.0000000), wk = 0.0034843 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0034843 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0034843 k( 28) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0034843 k( 29) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0034843 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0034843 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0034843 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0034843 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0034843 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0034843 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0034843 k( 36) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0034843 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0034843 k( 38) = ( 0.4512195 0.0000000 0.0000000), wk = 0.0034843 k( 39) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0034843 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0034843 k( 41) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0034843 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0034843 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0034843 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0034843 k( 47) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0034843 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0034843 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0034843 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0034843 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0034843 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0034843 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0034843 k( 54) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0034843 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034843 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0034843 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0034843 k( 58) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0034843 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0034843 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0034843 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034843 k( 62) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0034843 k( 63) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0034843 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0034843 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0034843 k( 66) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0034843 k( 67) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0034843 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0034843 k( 71) = ( 0.3120567 0.3120567 0.0000000), wk = 0.0034843 k( 72) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0034843 k( 73) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0034843 k( 74) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0034843 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0034843 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0034843 k( 77) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0034843 k( 78) = ( 0.2624113 0.2624113 0.0000000), wk = 0.0034843 k( 79) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0034843 k( 80) = ( 0.2482270 0.2482269 -0.0000000), wk = 0.0034843 k( 81) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0034843 k( 82) = ( 0.2340425 0.2340426 -0.0000000), wk = 0.0034843 k( 83) = ( 0.2269503 0.2269504 0.0000000), wk = 0.0034843 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0034843 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0034843 k( 86) = ( 0.2056738 0.2056738 -0.0000000), wk = 0.0034843 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0034843 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0034843 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0034843 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0034843 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0034843 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0034843 k( 93) = ( 0.1560284 0.1560284 0.0000000), wk = 0.0034843 k( 94) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0034843 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0034843 k( 96) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0034843 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0034843 k( 98) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0034843 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0034843 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0034843 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0034843 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0034843 k( 103) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0034843 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0034843 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0034843 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0034843 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0034843 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0034843 k( 109) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0034843 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0034843 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0034843 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0034843 k( 113) = ( 0.0141844 0.0141844 -0.0000000), wk = 0.0034843 k( 114) = ( 0.0070922 0.0070922 -0.0000000), wk = 0.0034843 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 117) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034843 k( 118) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034843 k( 119) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034843 k( 120) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034843 k( 121) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034843 k( 124) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034843 k( 125) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034843 k( 126) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034843 k( 127) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034843 k( 128) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034843 k( 129) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034843 k( 130) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034843 k( 131) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034843 k( 132) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034843 k( 133) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034843 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 136) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0034843 k( 137) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0034843 k( 138) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0034843 k( 139) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0034843 k( 140) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0034843 k( 141) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0034843 k( 142) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0034843 k( 143) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0034843 k( 144) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0034843 k( 145) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0034843 k( 146) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0034843 k( 147) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0034843 k( 148) = ( 0.1585366 0.0000000 0.5000000), wk = 0.0034843 k( 149) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0034843 k( 150) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0034843 k( 151) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0034843 k( 152) = ( 0.2073171 0.0000000 0.5000000), wk = 0.0034843 k( 153) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0034843 k( 154) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0034843 k( 155) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0034843 k( 156) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0034843 k( 157) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0034843 k( 158) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0034843 k( 159) = ( 0.2926829 0.0000000 0.5000000), wk = 0.0034843 k( 160) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0034843 k( 161) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0034843 k( 162) = ( 0.3292683 0.0000000 0.5000000), wk = 0.0034843 k( 163) = ( 0.3414634 0.0000000 0.5000000), wk = 0.0034843 k( 164) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0034843 k( 165) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0034843 k( 166) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0034843 k( 167) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0034843 k( 168) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0034843 k( 169) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0034843 k( 170) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0034843 k( 171) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0034843 k( 172) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0034843 k( 173) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0034843 k( 174) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0034843 k( 175) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0034843 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 178) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0034843 k( 179) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0034843 k( 180) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0034843 k( 181) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0034843 k( 182) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0034843 k( 183) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034843 k( 184) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0034843 k( 185) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034843 k( 186) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0034843 k( 187) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0034843 k( 188) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0034843 k( 189) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034843 k( 190) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0034843 k( 191) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0034843 k( 192) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0034843 k( 193) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034843 k( 194) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0034843 k( 195) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034843 k( 196) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0034843 k( 197) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0034843 k( 198) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0034843 k( 199) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0034843 k( 200) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0034843 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 k( 203) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0034843 k( 204) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0034843 k( 205) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0034843 k( 206) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0034843 k( 207) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0034843 k( 208) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0034843 k( 209) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0034843 k( 210) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0034843 k( 211) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0034843 k( 212) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0034843 k( 213) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0034843 k( 214) = ( 0.2482270 0.2482269 0.5000000), wk = 0.0034843 k( 215) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0034843 k( 216) = ( 0.2340425 0.2340426 0.5000000), wk = 0.0034843 k( 217) = ( 0.2269503 0.2269504 0.5000000), wk = 0.0034843 k( 218) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0034843 k( 219) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0034843 k( 220) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0034843 k( 221) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0034843 k( 222) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0034843 k( 223) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0034843 k( 224) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0034843 k( 225) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0034843 k( 226) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0034843 k( 227) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0034843 k( 228) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0034843 k( 229) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0034843 k( 230) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0034843 k( 231) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0034843 k( 232) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0034843 k( 233) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0034843 k( 234) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0034843 k( 235) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0034843 k( 236) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0034843 k( 237) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0034843 k( 238) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0034843 k( 239) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0034843 k( 240) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0034843 k( 241) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0034843 k( 242) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0034843 k( 243) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0034843 k( 244) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0034843 k( 245) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0034843 k( 246) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0034843 k( 247) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0034843 k( 248) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0034843 k( 249) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 250) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034843 k( 251) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0034843 k( 252) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0034843 k( 253) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0034843 k( 254) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0034843 k( 255) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0034843 k( 256) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034843 k( 257) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0034843 k( 258) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0034843 k( 259) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0034843 k( 260) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0034843 k( 261) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0034843 k( 262) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034843 k( 263) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0034843 k( 264) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0034843 k( 265) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0034843 k( 266) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0034843 k( 267) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0034843 k( 268) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034843 k( 269) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034843 k( 270) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0034843 k( 271) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0034843 k( 272) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0034843 k( 273) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0034843 k( 274) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0034843 k( 275) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034843 k( 276) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0034843 k( 277) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0034843 k( 278) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0034843 k( 279) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0034843 k( 280) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0034843 k( 281) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034843 k( 282) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0034843 k( 283) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0034843 k( 284) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0034843 k( 285) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0034843 k( 286) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0034843 k( 287) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034843 Dense grid: 75757 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 44351 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 334, 62) NL pseudopotentials 0.52 Mb ( 167, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2104) G-vector shells 0.01 Mb ( 1039) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.26 Mb ( 334, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrCuSb.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 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 5.3 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 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.5 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.7 secs Computing kpt #: 16 total cpu time spent up to now is 13.4 secs Computing kpt #: 17 total cpu time spent up to now is 14.1 secs Computing kpt #: 18 total cpu time spent up to now is 14.8 secs Computing kpt #: 19 total cpu time spent up to now is 15.5 secs Computing kpt #: 20 total cpu time spent up to now is 16.2 secs Computing kpt #: 21 total cpu time spent up to now is 16.9 secs Computing kpt #: 22 total cpu time spent up to now is 17.6 secs Computing kpt #: 23 total cpu time spent up to now is 18.3 secs Computing kpt #: 24 total cpu time spent up to now is 19.1 secs Computing kpt #: 25 total cpu time spent up to now is 19.8 secs Computing kpt #: 26 total cpu time spent up to now is 20.6 secs Computing kpt #: 27 total cpu time spent up to now is 21.3 secs Computing kpt #: 28 total cpu time spent up to now is 21.9 secs Computing kpt #: 29 total cpu time spent up to now is 22.5 secs Computing kpt #: 30 total cpu time spent up to now is 23.1 secs Computing kpt #: 31 total cpu time spent up to now is 23.7 secs Computing kpt #: 32 total cpu time spent up to now is 24.4 secs Computing kpt #: 33 total cpu time spent up to now is 25.0 secs Computing kpt #: 34 total cpu time spent up to now is 25.7 secs Computing kpt #: 35 total cpu time spent up to now is 26.3 secs Computing kpt #: 36 total cpu time spent up to now is 26.9 secs Computing kpt #: 37 total cpu time spent up to now is 27.6 secs Computing kpt #: 38 total cpu time spent up to now is 28.3 secs Computing kpt #: 39 total cpu time spent up to now is 28.9 secs Computing kpt #: 40 total cpu time spent up to now is 29.6 secs Computing kpt #: 41 total cpu time spent up to now is 30.3 secs Computing kpt #: 42 total cpu time spent up to now is 31.1 secs Computing kpt #: 43 total cpu time spent up to now is 31.8 secs Computing kpt #: 44 total cpu time spent up to now is 32.5 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 35.7 secs Computing kpt #: 50 total cpu time spent up to now is 36.4 secs Computing kpt #: 51 total cpu time spent up to now is 37.2 secs Computing kpt #: 52 total cpu time spent up to now is 38.0 secs Computing kpt #: 53 total cpu time spent up to now is 38.8 secs Computing kpt #: 54 total cpu time spent up to now is 39.4 secs Computing kpt #: 55 total cpu time spent up to now is 40.0 secs Computing kpt #: 56 total cpu time spent up to now is 40.7 secs Computing kpt #: 57 total cpu time spent up to now is 41.3 secs Computing kpt #: 58 total cpu time spent up to now is 42.0 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 43.2 secs Computing kpt #: 61 total cpu time spent up to now is 43.8 secs Computing kpt #: 62 total cpu time spent up to now is 44.4 secs Computing kpt #: 63 total cpu time spent up to now is 45.0 secs Computing kpt #: 64 total cpu time spent up to now is 45.6 secs Computing kpt #: 65 total cpu time spent up to now is 46.2 secs Computing kpt #: 66 total cpu time spent up to now is 46.8 secs Computing kpt #: 67 total cpu time spent up to now is 47.4 secs Computing kpt #: 68 total cpu time spent up to now is 48.0 secs Computing kpt #: 69 total cpu time spent up to now is 48.5 secs Computing kpt #: 70 total cpu time spent up to now is 49.1 secs Computing kpt #: 71 total cpu time spent up to now is 49.7 secs Computing kpt #: 72 total cpu time spent up to now is 50.3 secs Computing kpt #: 73 total cpu time spent up to now is 50.9 secs Computing kpt #: 74 total cpu time spent up to now is 51.5 secs Computing kpt #: 75 total cpu time spent up to now is 52.1 secs Computing kpt #: 76 total cpu time spent up to now is 52.7 secs Computing kpt #: 77 total cpu time spent up to now is 53.5 secs Computing kpt #: 78 total cpu time spent up to now is 54.2 secs Computing kpt #: 79 total cpu time spent up to now is 54.8 secs Computing kpt #: 80 total cpu time spent up to now is 55.5 secs Computing kpt #: 81 total cpu time spent up to now is 56.1 secs Computing kpt #: 82 total cpu time spent up to now is 56.7 secs Computing kpt #: 83 total cpu time spent up to now is 57.2 secs Computing kpt #: 84 total cpu time spent up to now is 57.8 secs Computing kpt #: 85 total cpu time spent up to now is 58.4 secs Computing kpt #: 86 total cpu time spent up to now is 59.1 secs Computing kpt #: 87 total cpu time spent up to now is 59.7 secs Computing kpt #: 88 total cpu time spent up to now is 60.3 secs Computing kpt #: 89 total cpu time spent up to now is 60.9 secs Computing kpt #: 90 total cpu time spent up to now is 61.6 secs Computing kpt #: 91 total cpu time spent up to now is 62.2 secs Computing kpt #: 92 total cpu time spent up to now is 62.9 secs Computing kpt #: 93 total cpu time spent up to now is 63.6 secs Computing kpt #: 94 total cpu time spent up to now is 64.3 secs Computing kpt #: 95 total cpu time spent up to now is 65.0 secs Computing kpt #: 96 total cpu time spent up to now is 65.8 secs Computing kpt #: 97 total cpu time spent up to now is 66.5 secs Computing kpt #: 98 total cpu time spent up to now is 67.3 secs Computing kpt #: 99 total cpu time spent up to now is 68.0 secs Computing kpt #: 100 total cpu time spent up to now is 68.7 secs Computing kpt #: 101 total cpu time spent up to now is 69.4 secs Computing kpt #: 102 total cpu time spent up to now is 70.1 secs Computing kpt #: 103 total cpu time spent up to now is 70.9 secs Computing kpt #: 104 total cpu time spent up to now is 71.5 secs Computing kpt #: 105 total cpu time spent up to now is 72.2 secs Computing kpt #: 106 total cpu time spent up to now is 72.8 secs Computing kpt #: 107 total cpu time spent up to now is 73.4 secs Computing kpt #: 108 total cpu time spent up to now is 74.1 secs Computing kpt #: 109 total cpu time spent up to now is 74.7 secs Computing kpt #: 110 total cpu time spent up to now is 75.4 secs Computing kpt #: 111 total cpu time spent up to now is 76.0 secs Computing kpt #: 112 total cpu time spent up to now is 76.7 secs Computing kpt #: 113 total cpu time spent up to now is 77.3 secs Computing kpt #: 114 total cpu time spent up to now is 78.0 secs Computing kpt #: 115 total cpu time spent up to now is 78.6 secs Computing kpt #: 116 total cpu time spent up to now is 79.2 secs Computing kpt #: 117 total cpu time spent up to now is 79.8 secs Computing kpt #: 118 total cpu time spent up to now is 80.4 secs Computing kpt #: 119 total cpu time spent up to now is 81.1 secs Computing kpt #: 120 total cpu time spent up to now is 81.7 secs Computing kpt #: 121 total cpu time spent up to now is 82.3 secs Computing kpt #: 122 total cpu time spent up to now is 83.0 secs Computing kpt #: 123 total cpu time spent up to now is 83.6 secs Computing kpt #: 124 total cpu time spent up to now is 84.2 secs Computing kpt #: 125 total cpu time spent up to now is 84.9 secs Computing kpt #: 126 total cpu time spent up to now is 85.5 secs Computing kpt #: 127 total cpu time spent up to now is 86.2 secs Computing kpt #: 128 total cpu time spent up to now is 86.8 secs Computing kpt #: 129 total cpu time spent up to now is 87.5 secs Computing kpt #: 130 total cpu time spent up to now is 88.1 secs Computing kpt #: 131 total cpu time spent up to now is 88.8 secs Computing kpt #: 132 total cpu time spent up to now is 89.4 secs Computing kpt #: 133 total cpu time spent up to now is 90.1 secs Computing kpt #: 134 total cpu time spent up to now is 90.8 secs Computing kpt #: 135 total cpu time spent up to now is 91.4 secs Computing kpt #: 136 total cpu time spent up to now is 92.0 secs Computing kpt #: 137 total cpu time spent up to now is 92.7 secs Computing kpt #: 138 total cpu time spent up to now is 93.3 secs Computing kpt #: 139 total cpu time spent up to now is 94.0 secs Computing kpt #: 140 total cpu time spent up to now is 94.7 secs Computing kpt #: 141 total cpu time spent up to now is 95.4 secs Computing kpt #: 142 total cpu time spent up to now is 96.1 secs Computing kpt #: 143 total cpu time spent up to now is 96.7 secs Computing kpt #: 144 total cpu time spent up to now is 97.4 secs Computing kpt #: 145 total cpu time spent up to now is 98.1 secs Computing kpt #: 146 total cpu time spent up to now is 98.9 secs Computing kpt #: 147 total cpu time spent up to now is 99.6 secs Computing kpt #: 148 total cpu time spent up to now is 100.3 secs Computing kpt #: 149 total cpu time spent up to now is 100.9 secs Computing kpt #: 150 total cpu time spent up to now is 101.6 secs Computing kpt #: 151 total cpu time spent up to now is 102.3 secs Computing kpt #: 152 total cpu time spent up to now is 102.9 secs Computing kpt #: 153 total cpu time spent up to now is 103.6 secs Computing kpt #: 154 total cpu time spent up to now is 104.3 secs Computing kpt #: 155 total cpu time spent up to now is 105.0 secs Computing kpt #: 156 total cpu time spent up to now is 105.7 secs Computing kpt #: 157 total cpu time spent up to now is 106.3 secs Computing kpt #: 158 total cpu time spent up to now is 107.0 secs Computing kpt #: 159 total cpu time spent up to now is 107.7 secs Computing kpt #: 160 total cpu time spent up to now is 108.4 secs Computing kpt #: 161 total cpu time spent up to now is 109.0 secs Computing kpt #: 162 total cpu time spent up to now is 109.7 secs Computing kpt #: 163 total cpu time spent up to now is 110.4 secs Computing kpt #: 164 total cpu time spent up to now is 111.1 secs Computing kpt #: 165 total cpu time spent up to now is 111.7 secs Computing kpt #: 166 total cpu time spent up to now is 112.4 secs Computing kpt #: 167 total cpu time spent up to now is 113.1 secs Computing kpt #: 168 total cpu time spent up to now is 113.8 secs Computing kpt #: 169 total cpu time spent up to now is 114.4 secs Computing kpt #: 170 total cpu time spent up to now is 115.1 secs Computing kpt #: 171 total cpu time spent up to now is 115.8 secs Computing kpt #: 172 total cpu time spent up to now is 116.4 secs Computing kpt #: 173 total cpu time spent up to now is 117.2 secs Computing kpt #: 174 total cpu time spent up to now is 118.0 secs Computing kpt #: 175 total cpu time spent up to now is 118.7 secs Computing kpt #: 176 total cpu time spent up to now is 119.4 secs Computing kpt #: 177 total cpu time spent up to now is 120.1 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.0 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 124.0 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.9 secs Computing kpt #: 181 total cpu time spent up to now is 127.0 secs Computing kpt #: 182 total cpu time spent up to now is 127.9 secs Computing kpt #: 183 total cpu time spent up to now is 128.7 secs Computing kpt #: 184 total cpu time spent up to now is 129.6 secs Computing kpt #: 185 total cpu time spent up to now is 130.4 secs Computing kpt #: 186 total cpu time spent up to now is 131.3 secs Computing kpt #: 187 total cpu time spent up to now is 132.1 secs Computing kpt #: 188 total cpu time spent up to now is 133.1 secs Computing kpt #: 189 total cpu time spent up to now is 134.0 secs Computing kpt #: 190 total cpu time spent up to now is 134.8 secs Computing kpt #: 191 total cpu time spent up to now is 135.4 secs Computing kpt #: 192 total cpu time spent up to now is 136.2 secs Computing kpt #: 193 total cpu time spent up to now is 137.0 secs Computing kpt #: 194 total cpu time spent up to now is 137.8 secs Computing kpt #: 195 total cpu time spent up to now is 138.5 secs Computing kpt #: 196 total cpu time spent up to now is 139.2 secs Computing kpt #: 197 total cpu time spent up to now is 139.9 secs Computing kpt #: 198 total cpu time spent up to now is 140.6 secs Computing kpt #: 199 total cpu time spent up to now is 141.3 secs Computing kpt #: 200 total cpu time spent up to now is 142.1 secs Computing kpt #: 201 total cpu time spent up to now is 142.8 secs Computing kpt #: 202 total cpu time spent up to now is 143.5 secs Computing kpt #: 203 total cpu time spent up to now is 144.2 secs Computing kpt #: 204 total cpu time spent up to now is 144.9 secs Computing kpt #: 205 total cpu time spent up to now is 145.6 secs Computing kpt #: 206 total cpu time spent up to now is 146.4 secs Computing kpt #: 207 total cpu time spent up to now is 147.1 secs Computing kpt #: 208 total cpu time spent up to now is 147.9 secs Computing kpt #: 209 total cpu time spent up to now is 148.6 secs Computing kpt #: 210 total cpu time spent up to now is 149.4 secs Computing kpt #: 211 total cpu time spent up to now is 150.7 secs Computing kpt #: 212 total cpu time spent up to now is 151.7 secs Computing kpt #: 213 total cpu time spent up to now is 152.8 secs Computing kpt #: 214 total cpu time spent up to now is 153.6 secs Computing kpt #: 215 total cpu time spent up to now is 154.4 secs Computing kpt #: 216 total cpu time spent up to now is 155.2 secs Computing kpt #: 217 total cpu time spent up to now is 155.9 secs Computing kpt #: 218 total cpu time spent up to now is 156.7 secs Computing kpt #: 219 total cpu time spent up to now is 157.4 secs Computing kpt #: 220 total cpu time spent up to now is 158.2 secs Computing kpt #: 221 total cpu time spent up to now is 158.9 secs Computing kpt #: 222 total cpu time spent up to now is 159.6 secs Computing kpt #: 223 total cpu time spent up to now is 160.3 secs Computing kpt #: 224 total cpu time spent up to now is 160.9 secs Computing kpt #: 225 total cpu time spent up to now is 161.6 secs Computing kpt #: 226 total cpu time spent up to now is 162.3 secs Computing kpt #: 227 total cpu time spent up to now is 162.9 secs Computing kpt #: 228 total cpu time spent up to now is 163.6 secs Computing kpt #: 229 total cpu time spent up to now is 164.3 secs Computing kpt #: 230 total cpu time spent up to now is 165.0 secs Computing kpt #: 231 total cpu time spent up to now is 165.7 secs Computing kpt #: 232 total cpu time spent up to now is 166.5 secs Computing kpt #: 233 total cpu time spent up to now is 167.2 secs Computing kpt #: 234 total cpu time spent up to now is 167.9 secs Computing kpt #: 235 total cpu time spent up to now is 168.7 secs Computing kpt #: 236 total cpu time spent up to now is 169.4 secs Computing kpt #: 237 total cpu time spent up to now is 170.2 secs Computing kpt #: 238 total cpu time spent up to now is 171.2 secs Computing kpt #: 239 total cpu time spent up to now is 171.9 secs Computing kpt #: 240 total cpu time spent up to now is 172.6 secs Computing kpt #: 241 total cpu time spent up to now is 173.3 secs Computing kpt #: 242 total cpu time spent up to now is 174.0 secs Computing kpt #: 243 total cpu time spent up to now is 174.6 secs Computing kpt #: 244 total cpu time spent up to now is 175.3 secs Computing kpt #: 245 total cpu time spent up to now is 176.0 secs Computing kpt #: 246 total cpu time spent up to now is 176.7 secs Computing kpt #: 247 total cpu time spent up to now is 177.4 secs Computing kpt #: 248 total cpu time spent up to now is 178.2 secs Computing kpt #: 249 total cpu time spent up to now is 178.8 secs Computing kpt #: 250 total cpu time spent up to now is 179.6 secs Computing kpt #: 251 total cpu time spent up to now is 180.4 secs Computing kpt #: 252 total cpu time spent up to now is 181.1 secs Computing kpt #: 253 total cpu time spent up to now is 181.9 secs Computing kpt #: 254 total cpu time spent up to now is 182.6 secs Computing kpt #: 255 total cpu time spent up to now is 183.4 secs Computing kpt #: 256 total cpu time spent up to now is 184.1 secs Computing kpt #: 257 total cpu time spent up to now is 184.9 secs Computing kpt #: 258 total cpu time spent up to now is 185.6 secs Computing kpt #: 259 total cpu time spent up to now is 186.3 secs Computing kpt #: 260 total cpu time spent up to now is 187.0 secs Computing kpt #: 261 total cpu time spent up to now is 187.7 secs Computing kpt #: 262 total cpu time spent up to now is 188.4 secs Computing kpt #: 263 total cpu time spent up to now is 189.1 secs Computing kpt #: 264 total cpu time spent up to now is 189.9 secs Computing kpt #: 265 total cpu time spent up to now is 190.6 secs Computing kpt #: 266 total cpu time spent up to now is 191.4 secs Computing kpt #: 267 total cpu time spent up to now is 192.2 secs Computing kpt #: 268 total cpu time spent up to now is 192.9 secs Computing kpt #: 269 total cpu time spent up to now is 193.5 secs Computing kpt #: 270 total cpu time spent up to now is 194.1 secs Computing kpt #: 271 total cpu time spent up to now is 194.7 secs Computing kpt #: 272 total cpu time spent up to now is 195.3 secs Computing kpt #: 273 total cpu time spent up to now is 195.9 secs Computing kpt #: 274 total cpu time spent up to now is 196.5 secs Computing kpt #: 275 total cpu time spent up to now is 197.1 secs Computing kpt #: 276 total cpu time spent up to now is 197.7 secs Computing kpt #: 277 total cpu time spent up to now is 198.3 secs Computing kpt #: 278 total cpu time spent up to now is 199.0 secs Computing kpt #: 279 total cpu time spent up to now is 199.7 secs Computing kpt #: 280 total cpu time spent up to now is 200.4 secs Computing kpt #: 281 total cpu time spent up to now is 201.1 secs Computing kpt #: 282 total cpu time spent up to now is 201.9 secs Computing kpt #: 283 total cpu time spent up to now is 202.6 secs Computing kpt #: 284 total cpu time spent up to now is 203.3 secs Computing kpt #: 285 total cpu time spent up to now is 204.0 secs Computing kpt #: 286 total cpu time spent up to now is 204.8 secs Computing kpt #: 287 total cpu time spent up to now is 205.5 secs ethr = 1.92E-08, avg # of iterations = 21.0 total cpu time spent up to now is 205.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5501 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1435 -10.1435 -10.1069 -10.1069 -9.0622 -9.0622 -8.9702 -8.9702 -8.9556 -8.9556 -8.9433 -8.9433 -1.9148 -1.9148 -1.2871 -1.2871 4.1894 4.1894 4.5325 4.5325 4.5951 4.5951 4.6692 4.6692 4.7267 4.7267 5.1814 5.1814 5.3502 5.3502 5.4295 5.4295 5.4436 5.4436 5.5442 5.5442 5.6650 5.6650 7.1807 7.1807 7.7873 7.7873 7.9439 7.9439 8.5907 8.5907 8.8531 8.8531 9.2394 9.2394 9.3876 9.3876 9.5339 9.5339 10.2162 10.2162 10.2291 10.2291 k = 0.0122 0.0070-0.0000 ( 5511 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1435 -10.1435 -10.1070 -10.1070 -9.0622 -9.0622 -8.9703 -8.9703 -8.9558 -8.9558 -8.9434 -8.9434 -1.9136 -1.9136 -1.2866 -1.2866 4.1906 4.1906 4.5324 4.5324 4.5948 4.5948 4.6690 4.6690 4.7263 4.7263 5.1815 5.1815 5.3504 5.3504 5.4295 5.4295 5.4434 5.4434 5.5444 5.5444 5.6650 5.6650 7.1803 7.1803 7.7802 7.7802 7.9358 7.9358 8.5729 8.5729 8.8281 8.8281 9.2441 9.2441 9.4012 9.4012 9.5579 9.5579 10.2278 10.2278 10.2384 10.2384 k = 0.0244 0.0141-0.0000 ( 5516 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1436 -10.1436 -10.1072 -10.1072 -9.0621 -9.0621 -8.9703 -8.9703 -8.9561 -8.9561 -8.9437 -8.9437 -1.9099 -1.9099 -1.2852 -1.2852 4.1943 4.1943 4.5323 4.5323 4.5944 4.5944 4.6683 4.6683 4.7250 4.7250 5.1819 5.1819 5.3509 5.3509 5.4295 5.4295 5.4429 5.4429 5.5450 5.5450 5.6649 5.6649 7.1792 7.1792 7.7569 7.7569 7.9152 7.9152 8.5188 8.5188 8.7687 8.7687 9.2532 9.2532 9.4404 9.4404 9.6192 9.6192 10.2622 10.2622 10.2673 10.2673 k = 0.0366 0.0211-0.0000 ( 5524 PWs) bands (ev): -27.3098 -27.3098 -27.3059 -27.3059 -10.1437 -10.1437 -10.1074 -10.1074 -9.0621 -9.0621 -8.9705 -8.9705 -8.9568 -8.9568 -8.9442 -8.9442 -1.9037 -1.9037 -1.2827 -1.2827 4.2003 4.2003 4.5320 4.5320 4.5939 4.5939 4.6666 4.6666 4.7232 4.7232 5.1824 5.1824 5.3518 5.3518 5.4294 5.4294 5.4422 5.4422 5.5460 5.5460 5.6649 5.6649 7.1773 7.1773 7.7134 7.7134 7.8902 7.8902 8.4304 8.4304 8.6983 8.6983 9.2620 9.2620 9.4994 9.4994 9.6975 9.6975 10.3098 10.3098 10.3265 10.3265 k = 0.0488 0.0282-0.0000 ( 5508 PWs) bands (ev): -27.3098 -27.3098 -27.3059 -27.3059 -10.1439 -10.1439 -10.1078 -10.1078 -9.0620 -9.0620 -8.9707 -8.9707 -8.9576 -8.9576 -8.9449 -8.9449 -1.8951 -1.8951 -1.2793 -1.2793 4.2086 4.2086 4.5312 4.5312 4.5937 4.5937 4.6635 4.6635 4.7219 4.7219 5.1832 5.1832 5.3531 5.3531 5.4292 5.4292 5.4415 5.4415 5.5475 5.5475 5.6649 5.6649 7.1746 7.1746 7.6487 7.6487 7.8666 7.8666 8.3161 8.3161 8.6263 8.6263 9.2702 9.2702 9.5696 9.5696 9.7792 9.7792 10.3706 10.3706 10.4156 10.4156 k = 0.0610 0.0352-0.0000 ( 5524 PWs) bands (ev): -27.3097 -27.3097 -27.3058 -27.3058 -10.1441 -10.1441 -10.1083 -10.1083 -9.0619 -9.0619 -8.9709 -8.9709 -8.9587 -8.9587 -8.9459 -8.9459 -1.8840 -1.8840 -1.2749 -1.2749 4.2191 4.2191 4.5295 4.5295 4.5939 4.5939 4.6580 4.6580 4.7214 4.7214 5.1840 5.1840 5.3546 5.3546 5.4283 5.4283 5.4408 5.4408 5.5493 5.5493 5.6648 5.6648 7.1710 7.1710 7.5667 7.5667 7.8451 7.8451 8.1867 8.1867 8.5526 8.5526 9.2782 9.2782 9.6398 9.6398 9.8632 9.8632 10.4443 10.4443 10.5308 10.5308 k = 0.0732 0.0422-0.0000 ( 5524 PWs) bands (ev): -27.3096 -27.3096 -27.3058 -27.3058 -10.1444 -10.1444 -10.1089 -10.1089 -9.0618 -9.0618 -8.9713 -8.9713 -8.9599 -8.9599 -8.9470 -8.9470 -1.8706 -1.8706 -1.2696 -1.2696 4.2317 4.2317 4.5267 4.5267 4.5949 4.5949 4.6499 4.6499 4.7224 4.7224 5.1851 5.1851 5.3564 5.3564 5.4269 5.4269 5.4407 5.4407 5.5517 5.5517 5.6648 5.6648 7.1664 7.1664 7.4728 7.4728 7.8241 7.8241 8.0502 8.0502 8.4764 8.4764 9.2864 9.2864 9.6991 9.6991 9.9559 9.9559 10.5284 10.5284 10.6671 10.6671 k = 0.0854 0.0493-0.0000 ( 5520 PWs) bands (ev): -27.3095 -27.3095 -27.3057 -27.3057 -10.1447 -10.1447 -10.1096 -10.1096 -9.0617 -9.0617 -8.9719 -8.9719 -8.9612 -8.9612 -8.9483 -8.9483 -1.8548 -1.8548 -1.2634 -1.2634 4.2462 4.2462 4.5223 4.5223 4.5964 4.5964 4.6393 4.6393 4.7252 4.7252 5.1862 5.1862 5.3585 5.3585 5.4246 5.4246 5.4412 5.4412 5.5547 5.5547 5.6649 5.6649 7.1604 7.1604 7.3715 7.3715 7.8019 7.8019 7.9119 7.9119 8.3976 8.3976 9.2946 9.2946 9.7429 9.7429 10.0614 10.0614 10.6203 10.6203 10.6955 10.6955 k = 0.0976 0.0563-0.0000 ( 5534 PWs) bands (ev): -27.3094 -27.3094 -27.3056 -27.3056 -10.1450 -10.1450 -10.1105 -10.1105 -9.0616 -9.0616 -8.9727 -8.9727 -8.9626 -8.9626 -8.9497 -8.9497 -1.8368 -1.8368 -1.2562 -1.2562 4.2624 4.2624 4.5163 4.5163 4.5966 4.5966 4.6282 4.6282 4.7295 4.7295 5.1874 5.1874 5.3609 5.3609 5.4215 5.4215 5.4422 5.4422 5.5581 5.5581 5.6651 5.6651 7.1514 7.1514 7.2667 7.2667 7.7648 7.7648 7.7879 7.7879 8.3166 8.3166 9.3025 9.3025 9.7735 9.7735 10.1778 10.1778 10.6196 10.6196 10.7198 10.7198 k = 0.1098 0.0634-0.0000 ( 5530 PWs) bands (ev): -27.3093 -27.3093 -27.3054 -27.3054 -10.1454 -10.1454 -10.1114 -10.1114 -9.0614 -9.0614 -8.9738 -8.9738 -8.9638 -8.9638 -8.9513 -8.9513 -1.8165 -1.8165 -1.2481 -1.2481 4.2800 4.2800 4.5089 4.5089 4.5900 4.5900 4.6223 4.6223 4.7353 4.7353 5.1885 5.1885 5.3635 5.3635 5.4180 5.4180 5.4436 5.4436 5.5623 5.5623 5.6656 5.6656 7.1260 7.1260 7.1734 7.1734 7.6371 7.6371 7.7562 7.7562 8.2341 8.2341 9.3096 9.3096 9.7954 9.7954 10.3001 10.3001 10.5415 10.5415 10.8229 10.8229 k = 0.1220 0.0704-0.0000 ( 5534 PWs) bands (ev): -27.3092 -27.3092 -27.3053 -27.3053 -10.1459 -10.1459 -10.1123 -10.1123 -9.0613 -9.0613 -8.9754 -8.9754 -8.9649 -8.9649 -8.9531 -8.9531 -1.7940 -1.7940 -1.2391 -1.2391 4.2984 4.2984 4.5004 4.5004 4.5734 4.5734 4.6249 4.6249 4.7423 4.7423 5.1896 5.1896 5.3662 5.3662 5.4139 5.4139 5.4454 5.4454 5.5670 5.5670 5.6664 5.6664 7.0345 7.0345 7.1411 7.1411 7.5091 7.5091 7.7289 7.7289 8.1508 8.1508 9.3152 9.3152 9.8122 9.8122 10.4229 10.4229 10.4616 10.4616 10.9297 10.9297 k = 0.1341 0.0774-0.0000 ( 5536 PWs) bands (ev): -27.3090 -27.3090 -27.3052 -27.3052 -10.1464 -10.1464 -10.1134 -10.1134 -9.0611 -9.0611 -8.9773 -8.9773 -8.9658 -8.9658 -8.9550 -8.9550 -1.7693 -1.7693 -1.2293 -1.2293 4.3168 4.3168 4.4913 4.4913 4.5507 4.5507 4.6319 4.6319 4.7503 4.7503 5.1904 5.1904 5.3690 5.3690 5.4096 5.4096 5.4475 5.4475 5.5725 5.5725 5.6678 5.6678 6.9254 6.9254 7.1186 7.1186 7.3917 7.3917 7.6999 7.6999 8.0674 8.0674 9.3187 9.3187 9.8266 9.8266 10.3786 10.3786 10.5437 10.5437 11.0388 11.0388 k = 0.1463 0.0845-0.0000 ( 5532 PWs) bands (ev): -27.3089 -27.3089 -27.3050 -27.3050 -10.1469 -10.1469 -10.1146 -10.1146 -9.0609 -9.0609 -8.9796 -8.9796 -8.9665 -8.9665 -8.9570 -8.9570 -1.7427 -1.7427 -1.2187 -1.2187 4.3341 4.3341 4.4826 4.4826 4.5244 4.5244 4.6410 4.6410 4.7594 4.7594 5.1911 5.1911 5.3718 5.3718 5.4050 5.4050 5.4499 5.4499 5.5784 5.5784 5.6701 5.6701 6.8153 6.8153 7.0807 7.0807 7.2952 7.2952 7.6689 7.6689 7.9844 7.9844 9.3190 9.3190 9.8404 9.8404 10.2963 10.2963 10.6543 10.6543 11.1490 11.1490 k = 0.1585 0.0915-0.0000 ( 5534 PWs) bands (ev): -27.3087 -27.3087 -27.3049 -27.3049 -10.1475 -10.1475 -10.1158 -10.1158 -9.0608 -9.0608 -8.9823 -8.9823 -8.9670 -8.9670 -8.9591 -8.9591 -1.7141 -1.7141 -1.2072 -1.2072 4.3479 4.3479 4.4744 4.4744 4.4968 4.4968 4.6517 4.6517 4.7694 4.7694 5.1913 5.1913 5.3746 5.3746 5.4003 5.4003 5.4525 5.4525 5.5846 5.5846 5.6736 5.6736 6.7065 6.7065 7.0139 7.0139 7.2322 7.2322 7.6358 7.6358 7.9024 7.9024 9.3156 9.3156 9.8552 9.8552 10.2139 10.2139 10.7507 10.7507 11.2587 11.2587 k = 0.1707 0.0986-0.0000 ( 5542 PWs) bands (ev): -27.3086 -27.3086 -27.3047 -27.3047 -10.1481 -10.1481 -10.1171 -10.1171 -9.0606 -9.0606 -8.9852 -8.9852 -8.9674 -8.9674 -8.9613 -8.9613 -1.6837 -1.6837 -1.1950 -1.1950 4.3550 4.3550 4.4547 4.4547 4.4832 4.4832 4.6634 4.6634 4.7801 4.7801 5.1911 5.1911 5.3772 5.3772 5.3956 5.3956 5.4553 5.4553 5.5909 5.5909 5.6790 5.6790 6.6001 6.6001 6.9222 6.9222 7.1984 7.1984 7.6006 7.6006 7.8220 7.8220 9.3076 9.3076 9.8721 9.8721 10.1321 10.1321 10.8287 10.8287 11.3055 11.3055 k = 0.1829 0.1056-0.0000 ( 5538 PWs) bands (ev): -27.3084 -27.3084 -27.3046 -27.3046 -10.1487 -10.1487 -10.1184 -10.1184 -9.0605 -9.0605 -8.9883 -8.9883 -8.9677 -8.9677 -8.9635 -8.9635 -1.6515 -1.6515 -1.1821 -1.1821 4.3524 4.3524 4.4206 4.4206 4.4892 4.4892 4.6763 4.6763 4.7917 4.7917 5.1904 5.1904 5.3796 5.3796 5.3911 5.3911 5.4582 5.4582 5.5967 5.5967 5.6870 5.6870 6.4969 6.4969 6.8205 6.8205 7.1790 7.1790 7.5631 7.5631 7.7440 7.7440 9.2947 9.2947 9.8918 9.8918 10.0511 10.0511 10.8875 10.8875 11.3498 11.3498 k = 0.1951 0.1127-0.0000 ( 5532 PWs) bands (ev): -27.3082 -27.3082 -27.3044 -27.3044 -10.1494 -10.1494 -10.1199 -10.1199 -9.0604 -9.0604 -8.9916 -8.9916 -8.9680 -8.9680 -8.9658 -8.9658 -1.6178 -1.6178 -1.1685 -1.1685 4.3390 4.3390 4.3836 4.3836 4.5041 4.5041 4.6901 4.6901 4.8040 4.8040 5.1890 5.1890 5.3817 5.3817 5.3869 5.3869 5.4614 5.4614 5.6016 5.6016 5.6982 5.6982 6.3978 6.3978 6.7172 6.7172 7.1651 7.1651 7.5229 7.5229 7.6695 7.6695 9.2769 9.2769 9.9146 9.9146 9.9714 9.9714 10.9299 10.9299 11.3966 11.3966 k = 0.2073 0.1197-0.0000 ( 5526 PWs) bands (ev): -27.3080 -27.3080 -27.3042 -27.3042 -10.1501 -10.1501 -10.1213 -10.1213 -9.0603 -9.0603 -8.9950 -8.9950 -8.9687 -8.9687 -8.9677 -8.9677 -1.5826 -1.5826 -1.1542 -1.1542 4.3123 4.3123 4.3497 4.3497 4.5241 4.5241 4.7047 4.7047 4.8170 4.8170 5.1870 5.1870 5.3817 5.3817 5.3849 5.3849 5.4646 5.4646 5.6052 5.6052 5.7131 5.7131 6.3036 6.3036 6.6156 6.6156 7.1530 7.1530 7.4793 7.4793 7.5997 7.5997 9.2543 9.2543 9.8925 9.8925 9.9414 9.9414 10.9610 10.9610 11.4458 11.4458 k = 0.2195 0.1267-0.0000 ( 5530 PWs) bands (ev): -27.3078 -27.3078 -27.3040 -27.3040 -10.1508 -10.1508 -10.1228 -10.1228 -9.0602 -9.0602 -8.9984 -8.9984 -8.9706 -8.9706 -8.9682 -8.9682 -1.5460 -1.5460 -1.1393 -1.1393 4.2711 4.2711 4.3223 4.3223 4.5470 4.5470 4.7200 4.7200 4.8305 4.8305 5.1841 5.1841 5.3785 5.3785 5.3861 5.3861 5.4680 5.4680 5.6076 5.6076 5.7318 5.7318 6.2147 6.2147 6.5171 6.5171 7.1406 7.1406 7.4318 7.4318 7.5363 7.5363 9.2275 9.2275 9.8157 9.8157 9.9708 9.9708 10.9859 10.9859 11.4970 11.4970 k = 0.2317 0.1338-0.0000 ( 5534 PWs) bands (ev): -27.3076 -27.3076 -27.3038 -27.3038 -10.1515 -10.1515 -10.1243 -10.1243 -9.0602 -9.0602 -9.0020 -9.0020 -8.9729 -8.9729 -8.9684 -8.9684 -1.5083 -1.5083 -1.1238 -1.1238 4.2213 4.2213 4.2972 4.2972 4.5711 4.5711 4.7360 4.7360 4.8444 4.8444 5.1804 5.1804 5.3753 5.3753 5.3874 5.3874 5.4714 5.4714 5.6089 5.6089 5.7543 5.7543 6.1320 6.1320 6.4223 6.4223 7.1261 7.1261 7.3807 7.3807 7.4804 7.4804 9.1970 9.1970 9.7403 9.7403 10.0033 10.0033 11.0086 11.0086 11.5501 11.5501 k = 0.2439 0.1408-0.0000 ( 5528 PWs) bands (ev): -27.3074 -27.3074 -27.3036 -27.3036 -10.1523 -10.1523 -10.1258 -10.1258 -9.0602 -9.0602 -9.0055 -9.0055 -8.9752 -8.9752 -8.9686 -8.9686 -1.4696 -1.4696 -1.1079 -1.1079 4.1662 4.1662 4.2716 4.2716 4.5958 4.5958 4.7525 4.7525 4.8588 4.8588 5.1760 5.1760 5.3726 5.3726 5.3884 5.3884 5.4748 5.4748 5.6092 5.6092 5.7801 5.7801 6.0561 6.0561 6.3316 6.3316 7.1075 7.1075 7.3289 7.3289 7.4310 7.4310 9.1637 9.1637 9.6666 9.6666 10.0382 10.0382 11.0318 11.0318 11.6047 11.6047 k = 0.2561 0.1479-0.0000 ( 5528 PWs) bands (ev): -27.3072 -27.3072 -27.3034 -27.3034 -10.1530 -10.1530 -10.1274 -10.1274 -9.0602 -9.0602 -9.0091 -9.0091 -8.9774 -8.9774 -8.9687 -8.9687 -1.4302 -1.4302 -1.0914 -1.0914 4.1072 4.1072 4.2451 4.2451 4.6204 4.6204 4.7696 4.7696 4.8736 4.8736 5.1709 5.1709 5.3704 5.3704 5.3891 5.3891 5.4783 5.4783 5.6089 5.6089 5.8080 5.8080 5.9883 5.9883 6.2451 6.2451 7.0821 7.0821 7.2807 7.2807 7.3867 7.3867 9.1282 9.1282 9.5946 9.5946 10.0751 10.0751 11.0575 11.0575 11.6602 11.6602 k = 0.2683 0.1549-0.0000 ( 5524 PWs) bands (ev): -27.3070 -27.3070 -27.3033 -27.3033 -10.1538 -10.1538 -10.1289 -10.1289 -9.0603 -9.0603 -9.0126 -9.0126 -8.9796 -8.9796 -8.9689 -8.9689 -1.3903 -1.3903 -1.0745 -1.0745 4.0449 4.0449 4.2176 4.2176 4.6445 4.6445 4.7870 4.7870 4.8885 4.8885 5.1650 5.1650 5.3687 5.3687 5.3895 5.3895 5.4817 5.4817 5.6080 5.6080 5.8325 5.8325 5.9338 5.9338 6.1630 6.1630 7.0475 7.0475 7.2396 7.2396 7.3462 7.3462 9.0913 9.0913 9.5242 9.5242 10.1133 10.1133 11.0869 11.0869 11.7162 11.7162 k = 0.2805 0.1619-0.0000 ( 5520 PWs) bands (ev): -27.3068 -27.3068 -27.3031 -27.3031 -10.1546 -10.1546 -10.1305 -10.1305 -9.0604 -9.0604 -9.0162 -9.0162 -8.9816 -8.9816 -8.9690 -8.9690 -1.3500 -1.3500 -1.0572 -1.0572 3.9799 3.9799 4.1895 4.1895 4.6679 4.6679 4.8047 4.8047 4.9036 4.9036 5.1586 5.1586 5.3675 5.3675 5.3896 5.3896 5.4851 5.4851 5.6067 5.6067 5.8287 5.8287 5.9173 5.9173 6.0854 6.0854 7.0037 7.0037 7.2061 7.2061 7.3093 7.3093 9.0537 9.0537 9.4556 9.4556 10.1524 10.1524 11.1206 11.1206 11.7716 11.7716 k = 0.2927 0.1690-0.0000 ( 5516 PWs) bands (ev): -27.3066 -27.3066 -27.3029 -27.3029 -10.1553 -10.1553 -10.1320 -10.1320 -9.0606 -9.0606 -9.0196 -9.0196 -8.9836 -8.9836 -8.9691 -8.9691 -1.3098 -1.3098 -1.0395 -1.0395 3.9129 3.9129 4.1608 4.1608 4.6903 4.6903 4.8228 4.8228 4.9187 4.9187 5.1517 5.1517 5.3667 5.3667 5.3894 5.3894 5.4883 5.4883 5.6051 5.6051 5.7906 5.7906 5.9437 5.9437 6.0130 6.0130 6.9532 6.9532 7.1776 7.1776 7.2765 7.2765 9.0159 9.0159 9.3887 9.3887 10.1917 10.1917 11.1591 11.1591 11.8255 11.8255 k = 0.3049 0.1760-0.0000 ( 5522 PWs) bands (ev): -27.3065 -27.3065 -27.3027 -27.3027 -10.1561 -10.1561 -10.1335 -10.1335 -9.0608 -9.0608 -9.0230 -9.0230 -8.9855 -8.9855 -8.9692 -8.9692 -1.2700 -1.2700 -1.0214 -1.0214 3.8445 3.8445 4.1319 4.1319 4.7116 4.7116 4.8409 4.8409 4.9338 4.9338 5.1445 5.1445 5.3662 5.3662 5.3889 5.3889 5.4913 5.4913 5.6032 5.6032 5.7480 5.7480 5.9404 5.9404 5.9885 5.9885 6.8989 6.8989 7.1503 7.1503 7.2485 7.2485 8.9785 8.9785 9.3235 9.3235 10.2307 10.2307 11.2027 11.2027 11.8764 11.8764 k = 0.3171 0.1831-0.0000 ( 5528 PWs) bands (ev): -27.3063 -27.3063 -27.3025 -27.3025 -10.1569 -10.1569 -10.1349 -10.1349 -9.0611 -9.0611 -9.0262 -9.0262 -8.9873 -8.9873 -8.9692 -8.9692 -1.2308 -1.2308 -1.0029 -1.0029 3.7753 3.7753 4.1029 4.1029 4.7315 4.7315 4.8593 4.8593 4.9486 4.9486 5.1371 5.1371 5.3660 5.3660 5.3881 5.3881 5.4941 5.4941 5.6011 5.6011 5.7084 5.7084 5.8779 5.8779 6.0331 6.0331 6.8432 6.8432 7.1218 7.1218 7.2256 7.2256 8.9420 8.9420 9.2600 9.2600 10.2690 10.2690 11.2515 11.2515 11.8424 11.8424 k = 0.3293 0.1901-0.0000 ( 5532 PWs) bands (ev): -27.3061 -27.3061 -27.3024 -27.3024 -10.1576 -10.1576 -10.1363 -10.1363 -9.0614 -9.0614 -9.0293 -9.0293 -8.9890 -8.9890 -8.9693 -8.9693 -1.1928 -1.1928 -0.9840 -0.9840 3.7061 3.7061 4.0742 4.0742 4.7501 4.7501 4.8777 4.8777 4.9630 4.9630 5.1297 5.1297 5.3661 5.3661 5.3870 5.3870 5.4964 5.4964 5.5989 5.5989 5.6730 5.6730 5.8191 5.8191 6.0825 6.0825 6.7878 6.7878 7.0918 7.0918 7.2069 7.2069 8.9066 8.9066 9.1982 9.1982 10.3061 10.3061 11.3054 11.3054 11.7919 11.7919 k = 0.3415 0.1971-0.0000 ( 5538 PWs) bands (ev): -27.3059 -27.3059 -27.3022 -27.3022 -10.1583 -10.1583 -10.1377 -10.1377 -9.0617 -9.0617 -9.0323 -9.0323 -8.9905 -8.9905 -8.9694 -8.9694 -1.1564 -1.1564 -0.9645 -0.9645 3.6377 3.6377 4.0459 4.0459 4.7671 4.7671 4.8962 4.8962 4.9771 4.9771 5.1224 5.1224 5.3664 5.3664 5.3857 5.3857 5.4981 5.4981 5.5965 5.5965 5.6420 5.6420 5.7651 5.7651 6.1348 6.1348 6.7335 6.7335 7.0608 7.0608 7.1909 7.1909 8.8727 8.8727 9.1383 9.1383 10.3417 10.3417 11.3642 11.3642 11.7455 11.7455 k = 0.3537 0.2042-0.0000 ( 5546 PWs) bands (ev): -27.3058 -27.3058 -27.3020 -27.3020 -10.1590 -10.1590 -10.1390 -10.1390 -9.0621 -9.0621 -9.0351 -9.0351 -8.9919 -8.9919 -8.9694 -8.9694 -1.1220 -1.1220 -0.9445 -0.9445 3.5707 3.5707 4.0184 4.0184 4.7824 4.7824 4.9146 4.9146 4.9906 4.9906 5.1153 5.1153 5.3667 5.3667 5.3843 5.3843 5.4990 5.4990 5.5936 5.5936 5.6151 5.6151 5.7166 5.7166 6.1891 6.1891 6.6811 6.6811 7.0297 7.0297 7.1764 7.1764 8.8407 8.8407 9.0804 9.0804 10.3755 10.3755 11.4275 11.4275 11.7035 11.7035 k = 0.3659 0.2112-0.0000 ( 5544 PWs) bands (ev): -27.3056 -27.3056 -27.3019 -27.3019 -10.1596 -10.1596 -10.1402 -10.1402 -9.0625 -9.0625 -9.0378 -9.0378 -8.9931 -8.9931 -8.9695 -8.9695 -1.0903 -1.0903 -0.9239 -0.9239 3.5059 3.5059 3.9918 3.9918 4.7962 4.7962 4.9328 4.9328 5.0034 5.0034 5.1086 5.1086 5.3671 5.3671 5.3827 5.3827 5.4988 5.4988 5.5869 5.5869 5.5953 5.5953 5.6742 5.6742 6.2449 6.2449 6.6310 6.6310 6.9994 6.9994 7.1623 7.1623 8.8106 8.8106 9.0247 9.0247 10.4072 10.4072 11.4947 11.4947 11.6664 11.6664 k = 0.3780 0.2183-0.0000 ( 5544 PWs) bands (ev): -27.3055 -27.3055 -27.3018 -27.3018 -10.1602 -10.1602 -10.1414 -10.1414 -9.0629 -9.0629 -9.0403 -9.0403 -8.9943 -8.9943 -8.9695 -8.9695 -1.0615 -1.0615 -0.9027 -0.9027 3.4440 3.4440 3.9665 3.9665 4.8084 4.8084 4.9507 4.9507 5.0154 5.0154 5.1024 5.1024 5.3674 5.3674 5.3812 5.3812 5.4966 5.4966 5.5689 5.5689 5.5892 5.5892 5.6392 5.6392 6.3016 6.3016 6.5838 6.5838 6.9704 6.9704 7.1478 7.1478 8.7826 8.7826 8.9714 8.9714 10.4365 10.4365 11.5647 11.5647 11.6346 11.6346 k = 0.3902 0.2253-0.0000 ( 5536 PWs) bands (ev): -27.3053 -27.3053 -27.3016 -27.3016 -10.1608 -10.1608 -10.1424 -10.1424 -9.0633 -9.0633 -9.0425 -9.0425 -8.9953 -8.9953 -8.9696 -8.9696 -1.0359 -1.0359 -0.8812 -0.8812 3.3856 3.3856 3.9428 3.9428 4.8190 4.8190 4.9680 4.9680 5.0266 5.0266 5.0966 5.0966 5.3674 5.3674 5.3798 5.3798 5.4916 5.4916 5.5508 5.5508 5.5840 5.5840 5.6138 5.6138 6.3584 6.3584 6.5401 6.5401 6.9433 6.9433 7.1324 7.1324 8.7569 8.7569 8.9210 8.9210 10.4635 10.4635 11.6047 11.6047 11.6398 11.6398 k = 0.4024 0.2323-0.0000 ( 5542 PWs) bands (ev): -27.3052 -27.3052 -27.3015 -27.3015 -10.1613 -10.1613 -10.1434 -10.1434 -9.0638 -9.0638 -9.0446 -9.0446 -8.9962 -8.9962 -8.9696 -8.9696 -1.0137 -1.0137 -0.8596 -0.8596 3.3314 3.3314 3.9207 3.9207 4.8281 4.8281 4.9846 4.9846 5.0366 5.0366 5.0914 5.0914 5.3669 5.3669 5.3788 5.3788 5.4827 5.4827 5.5349 5.5349 5.5764 5.5764 5.5995 5.5995 6.4135 6.4135 6.5013 6.5013 6.9185 6.9185 7.1156 7.1156 8.7336 8.7336 8.8738 8.8738 10.4879 10.4879 11.5832 11.5832 11.7120 11.7120 k = 0.4146 0.2394-0.0000 ( 5552 PWs) bands (ev): -27.3051 -27.3051 -27.3014 -27.3014 -10.1618 -10.1618 -10.1443 -10.1443 -9.0642 -9.0642 -9.0464 -9.0464 -8.9969 -8.9969 -8.9696 -8.9696 -0.9948 -0.9948 -0.8386 -0.8386 3.2820 3.2820 3.9007 3.9007 4.8357 4.8357 5.0001 5.0001 5.0455 5.0455 5.0868 5.0868 5.3657 5.3657 5.3786 5.3786 5.4697 5.4697 5.5222 5.5222 5.5684 5.5684 5.5932 5.5932 6.4470 6.4470 6.4869 6.4869 6.8966 6.8966 7.0970 7.0970 8.7126 8.7126 8.8303 8.8303 10.5097 10.5097 11.5652 11.5652 11.7841 11.7841 k = 0.4268 0.2464-0.0000 ( 5548 PWs) bands (ev): -27.3050 -27.3050 -27.3013 -27.3013 -10.1622 -10.1622 -10.1450 -10.1450 -9.0646 -9.0646 -9.0480 -9.0480 -8.9975 -8.9975 -8.9697 -8.9697 -0.9789 -0.9789 -0.8187 -0.8187 3.2379 3.2379 3.8828 3.8828 4.8420 4.8420 5.0143 5.0143 5.0532 5.0532 5.0829 5.0829 5.3639 5.3639 5.3789 5.3789 5.4547 5.4547 5.5128 5.5128 5.5629 5.5629 5.5898 5.5898 6.4233 6.4233 6.5319 6.5319 6.8781 6.8781 7.0764 7.0764 8.6941 8.6941 8.7913 8.7913 10.5287 10.5287 11.5512 11.5512 11.8529 11.8529 k = 0.4390 0.2535-0.0000 ( 5550 PWs) bands (ev): -27.3049 -27.3049 -27.3012 -27.3012 -10.1625 -10.1625 -10.1457 -10.1457 -9.0649 -9.0649 -9.0494 -9.0494 -8.9981 -8.9981 -8.9697 -8.9697 -0.9659 -0.9659 -0.8007 -0.8007 3.1996 3.1996 3.8673 3.8673 4.8472 4.8472 5.0269 5.0269 5.0596 5.0596 5.0796 5.0796 5.3617 5.3617 5.3798 5.3798 5.4400 5.4400 5.5057 5.5057 5.5596 5.5596 5.5877 5.5877 6.3959 6.3959 6.5821 6.5821 6.8638 6.8638 7.0535 7.0535 8.6780 8.6780 8.7573 8.7573 10.5450 10.5450 11.5408 11.5408 11.9155 11.9155 k = 0.4512 0.2605-0.0000 ( 5550 PWs) bands (ev): -27.3049 -27.3049 -27.3012 -27.3012 -10.1628 -10.1628 -10.1462 -10.1462 -9.0652 -9.0652 -9.0505 -9.0505 -8.9985 -8.9985 -8.9697 -8.9697 -0.9555 -0.9555 -0.7851 -0.7851 3.1676 3.1676 3.8544 3.8544 4.8512 4.8512 5.0377 5.0377 5.0646 5.0646 5.0771 5.0771 5.3593 5.3593 5.3810 5.3810 5.4270 5.4270 5.5004 5.5004 5.5577 5.5577 5.5861 5.5861 6.3723 6.3723 6.6283 6.6283 6.8550 6.8550 7.0283 7.0283 8.6643 8.6643 8.7289 8.7289 10.5584 10.5584 11.5333 11.5333 11.9692 11.9692 k = 0.4634 0.2676-0.0000 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1630 -10.1630 -10.1467 -10.1467 -9.0655 -9.0655 -9.0514 -9.0514 -8.9988 -8.9988 -8.9697 -8.9697 -0.9476 -0.9476 -0.7724 -0.7724 3.1424 3.1424 3.8443 3.8443 4.8542 4.8542 5.0466 5.0466 5.0674 5.0674 5.0760 5.0760 5.3569 5.3569 5.3826 5.3826 5.4164 5.4164 5.4965 5.4965 5.5568 5.5568 5.5849 5.5849 6.3535 6.3535 6.6675 6.6675 6.8537 6.8537 7.0007 7.0007 8.6529 8.6529 8.7068 8.7068 10.5689 10.5689 11.5283 11.5283 12.0115 12.0115 k = 0.4756 0.2746-0.0000 ( 5548 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1632 -10.1632 -10.1470 -10.1470 -9.0656 -9.0656 -9.0521 -9.0521 -8.9991 -8.9991 -8.9697 -8.9697 -0.9420 -0.9420 -0.7630 -0.7630 3.1241 3.1241 3.8369 3.8369 4.8562 4.8562 5.0534 5.0534 5.0675 5.0675 5.0768 5.0768 5.3550 5.3550 5.3843 5.3843 5.4084 5.4084 5.4939 5.4939 5.5563 5.5563 5.5841 5.5841 6.3398 6.3398 6.6964 6.6964 6.8621 6.8621 6.9713 6.9713 8.6442 8.6442 8.6911 8.6911 10.5764 10.5764 11.5253 11.5253 12.0414 12.0414 k = 0.4878 0.2816-0.0000 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0657 -9.0657 -9.0524 -9.0524 -8.9992 -8.9992 -8.9697 -8.9697 -0.9387 -0.9387 -0.7573 -0.7573 3.1130 3.1130 3.8324 3.8324 4.8574 4.8574 5.0584 5.0584 5.0660 5.0660 5.0780 5.0780 5.3536 5.3536 5.3859 5.3859 5.4032 5.4032 5.4923 5.4923 5.5561 5.5561 5.5836 5.5836 6.3314 6.3314 6.7129 6.7129 6.8806 6.8806 6.9410 6.9410 8.6386 8.6386 8.6820 8.6820 10.5809 10.5809 11.5236 11.5236 12.0586 12.0586 k = 0.5000 0.2887-0.0000 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0658 -9.0658 -9.0526 -9.0526 -8.9992 -8.9992 -8.9697 -8.9697 -0.9376 -0.9376 -0.7554 -0.7554 3.1093 3.1093 3.8309 3.8309 4.8579 4.8579 5.0608 5.0608 5.0646 5.0646 5.0786 5.0786 5.3531 5.3531 5.3867 5.3867 5.4013 5.4013 5.4918 5.4918 5.5561 5.5561 5.5835 5.5835 6.3287 6.3287 6.7181 6.7181 6.8995 6.8995 6.9186 6.9186 8.6367 8.6367 8.6790 8.6790 10.5824 10.5824 11.5231 11.5231 12.0641 12.0641 k = 0.5000 0.2887-0.0000 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0658 -9.0658 -9.0526 -9.0526 -8.9992 -8.9992 -8.9697 -8.9697 -0.9376 -0.9376 -0.7554 -0.7554 3.1093 3.1093 3.8309 3.8309 4.8579 4.8579 5.0608 5.0608 5.0646 5.0646 5.0786 5.0786 5.3531 5.3531 5.3867 5.3867 5.4013 5.4013 5.4918 5.4918 5.5561 5.5561 5.5835 5.5835 6.3287 6.3287 6.7181 6.7181 6.8995 6.8995 6.9186 6.9186 8.6367 8.6367 8.6790 8.6790 10.5824 10.5824 11.5231 11.5231 12.0641 12.0641 k = 0.4931 0.3007-0.0000 ( 5558 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0657 -9.0657 -9.0526 -9.0526 -8.9993 -8.9993 -8.9698 -8.9698 -0.9369 -0.9369 -0.7552 -0.7552 3.1107 3.1107 3.8303 3.8303 4.8584 4.8584 5.0603 5.0603 5.0654 5.0654 5.0780 5.0780 5.3523 5.3523 5.3872 5.3872 5.4007 5.4007 5.4917 5.4917 5.5561 5.5561 5.5833 5.5833 6.3260 6.3260 6.7130 6.7130 6.8930 6.8930 6.9192 6.9192 8.6464 8.6464 8.6845 8.6845 10.5876 10.5876 11.4987 11.4987 12.0696 12.0696 k = 0.4861 0.3127-0.0000 ( 5554 PWs) bands (ev): -27.3048 -27.3048 -27.3010 -27.3010 -10.1634 -10.1634 -10.1473 -10.1473 -9.0656 -9.0656 -9.0525 -9.0525 -8.9996 -8.9996 -8.9700 -8.9700 -0.9351 -0.9351 -0.7547 -0.7547 3.1150 3.1150 3.8285 3.8285 4.8599 4.8599 5.0593 5.0593 5.0674 5.0674 5.0765 5.0765 5.3502 5.3502 5.3886 5.3886 5.3991 5.3991 5.4914 5.4914 5.5563 5.5563 5.5828 5.5828 6.3183 6.3183 6.6957 6.6957 6.8769 6.8769 6.9207 6.9207 8.6659 8.6659 8.7099 8.7099 10.6031 10.6031 11.4355 11.4355 12.0838 12.0838 k = 0.4792 0.3248-0.0000 ( 5550 PWs) bands (ev): -27.3047 -27.3047 -27.3010 -27.3010 -10.1634 -10.1634 -10.1473 -10.1473 -9.0654 -9.0654 -9.0524 -9.0524 -9.0000 -9.0000 -8.9703 -8.9703 -0.9320 -0.9320 -0.7539 -0.7539 3.1221 3.1221 3.8255 3.8255 4.8624 4.8624 5.0581 5.0581 5.0702 5.0702 5.0741 5.0741 5.3469 5.3469 5.3908 5.3908 5.3964 5.3964 5.4909 5.4909 5.5565 5.5565 5.5822 5.5822 6.3056 6.3056 6.6623 6.6623 6.8585 6.8585 6.9230 6.9230 8.6815 8.6815 8.7657 8.7657 10.6285 10.6285 11.3508 11.3508 12.1067 12.1067 k = 0.4722 0.3368-0.0000 ( 5554 PWs) bands (ev): -27.3047 -27.3047 -27.3010 -27.3010 -10.1635 -10.1635 -10.1474 -10.1474 -9.0650 -9.0650 -9.0523 -9.0523 -9.0005 -9.0005 -8.9708 -8.9708 -0.9277 -0.9277 -0.7528 -0.7528 3.1321 3.1321 3.8212 3.8212 4.8658 4.8658 5.0565 5.0565 5.0700 5.0700 5.0743 5.0743 5.3426 5.3426 5.3922 5.3922 5.3937 5.3937 5.4903 5.4903 5.5567 5.5567 5.5813 5.5813 6.2882 6.2882 6.6102 6.6102 6.8443 6.8443 6.9260 6.9260 8.6970 8.6970 8.8440 8.8440 10.6631 10.6631 11.2557 11.2557 12.1383 12.1383 k = 0.4653 0.3488-0.0000 ( 5550 PWs) bands (ev): -27.3047 -27.3047 -27.3010 -27.3010 -10.1635 -10.1635 -10.1475 -10.1475 -9.0646 -9.0646 -9.0522 -9.0522 -9.0012 -9.0012 -8.9714 -8.9714 -0.9223 -0.9223 -0.7514 -0.7514 3.1447 3.1447 3.8159 3.8159 4.8701 4.8701 5.0546 5.0546 5.0650 5.0650 5.0790 5.0790 5.3375 5.3375 5.3878 5.3878 5.3963 5.3963 5.4895 5.4895 5.5568 5.5568 5.5803 5.5803 6.2665 6.2665 6.5421 6.5421 6.8360 6.8360 6.9299 6.9299 8.7152 8.7152 8.9380 8.9380 10.7058 10.7058 11.1564 11.1564 12.1787 12.1787 k = 0.4583 0.3608-0.0000 ( 5542 PWs) bands (ev): -27.3047 -27.3047 -27.3010 -27.3010 -10.1636 -10.1636 -10.1477 -10.1477 -9.0641 -9.0641 -9.0521 -9.0521 -9.0021 -9.0021 -8.9721 -8.9721 -0.9157 -0.9157 -0.7497 -0.7497 3.1601 3.1601 3.8095 3.8095 4.8752 4.8752 5.0523 5.0523 5.0586 5.0586 5.0846 5.0846 5.3316 5.3316 5.3823 5.3823 5.3992 5.3992 5.4887 5.4887 5.5567 5.5567 5.5793 5.5793 6.2409 6.2409 6.4630 6.4630 6.8324 6.8324 6.9345 6.9345 8.7367 8.7367 9.0434 9.0434 10.7550 10.7550 11.0563 11.0563 12.2278 12.2278 k = 0.4514 0.3729-0.0000 ( 5552 PWs) bands (ev): -27.3046 -27.3046 -27.3010 -27.3010 -10.1637 -10.1637 -10.1478 -10.1478 -9.0635 -9.0635 -9.0519 -9.0519 -9.0031 -9.0031 -8.9729 -8.9729 -0.9082 -0.9082 -0.7478 -0.7478 3.1781 3.1781 3.8020 3.8020 4.8810 4.8810 5.0477 5.0477 5.0519 5.0519 5.0911 5.0911 5.3249 5.3249 5.3759 5.3759 5.4020 5.4020 5.4878 5.4878 5.5563 5.5563 5.5785 5.5785 6.2119 6.2119 6.3779 6.3779 6.8319 6.8319 6.9400 6.9400 8.7617 8.7617 9.1571 9.1571 10.8064 10.8064 10.9600 10.9600 12.2851 12.2851 k = 0.4444 0.3849-0.0000 ( 5556 PWs) bands (ev): -27.3046 -27.3046 -27.3009 -27.3009 -10.1638 -10.1638 -10.1480 -10.1480 -9.0628 -9.0628 -9.0518 -9.0518 -9.0042 -9.0042 -8.9737 -8.9737 -0.8996 -0.8996 -0.7457 -0.7457 3.1985 3.1985 3.7937 3.7937 4.8873 4.8873 5.0373 5.0373 5.0482 5.0482 5.0983 5.0983 5.3175 5.3175 5.3690 5.3690 5.4048 5.4048 5.4871 5.4871 5.5554 5.5554 5.5779 5.5779 6.1801 6.1801 6.2906 6.2906 6.8336 6.8336 6.9461 6.9461 8.7901 8.7901 9.2765 9.2765 10.8210 10.8210 10.9057 10.9057 12.3491 12.3491 k = 0.4375 0.3969-0.0000 ( 5556 PWs) bands (ev): -27.3046 -27.3046 -27.3009 -27.3009 -10.1639 -10.1639 -10.1482 -10.1482 -9.0621 -9.0621 -9.0516 -9.0516 -9.0054 -9.0054 -8.9747 -8.9747 -0.8902 -0.8902 -0.7435 -0.7435 3.2214 3.2214 3.7845 3.7845 4.8940 4.8940 5.0230 5.0230 5.0452 5.0452 5.1063 5.1063 5.3094 5.3094 5.3618 5.3618 5.4074 5.4074 5.4864 5.4864 5.5540 5.5540 5.5777 5.5777 6.1459 6.1459 6.2044 6.2044 6.8369 6.8369 6.9529 6.9529 8.8219 8.8219 9.3997 9.3997 10.7407 10.7407 10.9502 10.9502 12.3163 12.3163 k = 0.4306 0.4090-0.0000 ( 5546 PWs) bands (ev): -27.3045 -27.3045 -27.3008 -27.3008 -10.1640 -10.1640 -10.1484 -10.1484 -9.0613 -9.0613 -9.0514 -9.0514 -9.0067 -9.0067 -8.9756 -8.9756 -0.8799 -0.8799 -0.7412 -0.7412 3.2464 3.2464 3.7746 3.7746 4.9007 4.9007 5.0046 5.0046 5.0422 5.0422 5.1148 5.1148 5.3011 5.3011 5.3545 5.3545 5.4097 5.4097 5.4860 5.4860 5.5522 5.5522 5.5778 5.5778 6.1097 6.1097 6.1218 6.1218 6.8415 6.8415 6.9603 6.9603 8.8568 8.8568 9.5253 9.5253 10.6464 10.6464 11.0104 11.0104 12.2786 12.2786 k = 0.4236 0.4210-0.0000 ( 5546 PWs) bands (ev): -27.3045 -27.3045 -27.3008 -27.3008 -10.1641 -10.1641 -10.1486 -10.1486 -9.0604 -9.0604 -9.0513 -9.0513 -9.0081 -9.0081 -8.9766 -8.9766 -0.8690 -0.8690 -0.7388 -0.7388 3.2735 3.2735 3.7643 3.7643 4.9068 4.9068 4.9819 4.9819 5.0392 5.0392 5.1237 5.1237 5.2929 5.2929 5.3474 5.3474 5.4117 5.4117 5.4859 5.4859 5.5499 5.5499 5.5783 5.5783 6.0436 6.0436 6.0732 6.0732 6.8472 6.8472 6.9679 6.9679 8.8949 8.8949 9.6520 9.6520 10.5523 10.5523 11.0699 11.0699 12.1888 12.1888 k = 0.4167 0.4330-0.0000 ( 5544 PWs) bands (ev): -27.3045 -27.3045 -27.3008 -27.3008 -10.1642 -10.1642 -10.1489 -10.1489 -9.0595 -9.0595 -9.0511 -9.0511 -9.0096 -9.0096 -8.9777 -8.9777 -0.8575 -0.8575 -0.7365 -0.7365 3.3023 3.3023 3.7536 3.7536 4.9095 4.9095 4.9566 4.9566 5.0362 5.0362 5.1326 5.1326 5.2855 5.2855 5.3409 5.3409 5.4132 5.4132 5.4862 5.4862 5.5473 5.5473 5.5789 5.5789 5.9729 5.9729 6.0353 6.0353 6.8538 6.8538 6.9758 6.9758 8.9358 8.9358 9.7790 9.7790 10.4602 10.4602 11.1240 11.1240 12.0980 12.0980 k = 0.4097 0.4450-0.0000 ( 5540 PWs) bands (ev): -27.3044 -27.3044 -27.3007 -27.3007 -10.1643 -10.1643 -10.1491 -10.1491 -9.0586 -9.0586 -9.0510 -9.0510 -9.0110 -9.0110 -8.9787 -8.9787 -0.8455 -0.8455 -0.7343 -0.7343 3.3326 3.3326 3.7428 3.7428 4.8967 4.8967 4.9404 4.9404 5.0333 5.0333 5.1414 5.1414 5.2794 5.2794 5.3350 5.3350 5.4143 5.4143 5.4871 5.4871 5.5445 5.5445 5.5797 5.5797 5.9099 5.9099 5.9971 5.9971 6.8613 6.8613 6.9837 6.9837 8.9793 8.9793 9.9050 9.9050 10.3709 10.3709 11.1695 11.1695 12.0092 12.0092 k = 0.4028 0.4571-0.0000 ( 5530 PWs) bands (ev): -27.3044 -27.3044 -27.3007 -27.3007 -10.1644 -10.1644 -10.1493 -10.1493 -9.0576 -9.0576 -9.0509 -9.0509 -9.0126 -9.0126 -8.9797 -8.9797 -0.8333 -0.8333 -0.7322 -0.7322 3.3638 3.3638 3.7322 3.7322 4.8610 4.8610 4.9404 4.9404 5.0308 5.0308 5.1496 5.1496 5.2751 5.2751 5.3302 5.3302 5.4149 5.4149 5.4886 5.4886 5.5417 5.5417 5.5805 5.5805 5.8550 5.8550 5.9591 5.9591 6.8696 6.8696 6.9914 6.9914 9.0253 9.0253 10.0281 10.0281 10.2863 10.2863 11.2037 11.2037 11.9233 11.9233 k = 0.3958 0.4691-0.0000 ( 5524 PWs) bands (ev): -27.3043 -27.3043 -27.3006 -27.3006 -10.1646 -10.1646 -10.1496 -10.1496 -9.0566 -9.0566 -9.0508 -9.0508 -9.0141 -9.0141 -8.9806 -8.9806 -0.8210 -0.8210 -0.7303 -0.7303 3.3954 3.3954 3.7221 3.7221 4.8150 4.8150 4.9451 4.9451 5.0287 5.0287 5.1570 5.1570 5.2726 5.2726 5.3270 5.3270 5.4150 5.4150 5.4907 5.4907 5.5389 5.5389 5.5813 5.5813 5.8079 5.8079 5.9216 5.9216 6.8786 6.8786 6.9986 6.9986 9.0735 9.0735 10.1303 10.1303 10.2239 10.2239 11.2254 11.2254 11.8415 11.8415 k = 0.3889 0.4811-0.0000 ( 5531 PWs) bands (ev): -27.3043 -27.3043 -27.3006 -27.3006 -10.1647 -10.1647 -10.1498 -10.1498 -9.0556 -9.0556 -9.0507 -9.0507 -9.0156 -9.0156 -8.9815 -8.9815 -0.8087 -0.8087 -0.7287 -0.7287 3.4267 3.4267 3.7131 3.7131 4.7639 4.7639 4.9502 4.9502 5.0271 5.0271 5.1633 5.1633 5.2713 5.2713 5.3258 5.3258 5.4145 5.4145 5.4937 5.4937 5.5362 5.5362 5.5820 5.5820 5.7682 5.7682 5.8851 5.8851 6.8884 6.8884 7.0050 7.0050 9.1237 9.1237 10.0998 10.0998 10.2955 10.2955 11.2348 11.2348 11.7649 11.7649 k = 0.3819 0.4932-0.0000 ( 5523 PWs) bands (ev): -27.3043 -27.3043 -27.3006 -27.3006 -10.1648 -10.1648 -10.1500 -10.1500 -9.0547 -9.0547 -9.0507 -9.0507 -9.0170 -9.0170 -8.9823 -8.9823 -0.7966 -0.7966 -0.7274 -0.7274 3.4567 3.4567 3.7057 3.7057 4.7105 4.7105 4.9548 4.9548 5.0262 5.0262 5.1687 5.1687 5.2705 5.2705 5.3274 5.3274 5.4135 5.4135 5.4976 5.4976 5.5337 5.5337 5.5826 5.5826 5.7349 5.7349 5.8501 5.8501 6.8988 6.8988 7.0104 7.0104 9.1754 9.1754 10.0253 10.0253 10.4119 10.4119 11.2335 11.2335 11.6943 11.6943 k = 0.3750 0.5052-0.0000 ( 5527 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1649 -10.1649 -10.1502 -10.1502 -9.0538 -9.0538 -9.0507 -9.0507 -9.0183 -9.0183 -8.9830 -8.9830 -0.7850 -0.7850 -0.7266 -0.7266 3.4842 3.4842 3.7006 3.7006 4.6573 4.6573 4.9587 4.9587 5.0258 5.0258 5.1730 5.1730 5.2693 5.2693 5.3319 5.3319 5.4120 5.4120 5.5027 5.5027 5.5315 5.5315 5.5832 5.5832 5.7069 5.7069 5.8170 5.8170 6.9099 6.9099 7.0143 7.0143 9.2284 9.2284 9.9501 9.9501 10.5292 10.5292 11.2237 11.2237 11.6307 11.6307 k = 0.3681 0.5172-0.0000 ( 5527 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1650 -10.1650 -10.1504 -10.1504 -9.0530 -9.0530 -9.0507 -9.0507 -9.0195 -9.0195 -8.9836 -8.9836 -0.7740 -0.7740 -0.7263 -0.7263 3.5078 3.5078 3.6984 3.6984 4.6066 4.6066 4.9616 4.9616 5.0261 5.0261 5.1765 5.1765 5.2676 5.2676 5.3390 5.3390 5.4099 5.4099 5.5091 5.5091 5.5297 5.5297 5.5836 5.5836 5.6832 5.6832 5.7865 5.7865 6.9215 6.9215 7.0165 7.0165 9.2825 9.2825 9.8770 9.8770 10.6436 10.6436 11.2079 11.2079 11.5750 11.5750 k = 0.3611 0.5292-0.0000 ( 5523 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1651 -10.1651 -10.1506 -10.1506 -9.0523 -9.0523 -9.0507 -9.0507 -9.0206 -9.0206 -8.9841 -8.9841 -0.7639 -0.7639 -0.7265 -0.7265 3.5261 3.5261 3.6995 3.6995 4.5608 4.5608 4.9636 4.9636 5.0267 5.0267 5.1794 5.1794 5.2656 5.2656 5.3477 5.3477 5.4071 5.4071 5.5169 5.5169 5.5284 5.5284 5.5840 5.5840 5.6627 5.6627 5.7595 5.7595 6.9337 6.9337 7.0166 7.0166 9.3372 9.3372 9.8069 9.8069 10.7530 10.7530 11.1883 11.1883 11.5280 11.5280 k = 0.3542 0.5413-0.0000 ( 5519 PWs) bands (ev): -27.3041 -27.3041 -27.3005 -27.3005 -10.1652 -10.1652 -10.1507 -10.1507 -9.0517 -9.0517 -9.0507 -9.0507 -9.0215 -9.0215 -8.9845 -8.9845 -0.7550 -0.7550 -0.7272 -0.7272 3.5387 3.5387 3.7034 3.7034 4.5222 4.5222 4.9650 4.9650 5.0275 5.0275 5.1816 5.1816 5.2636 5.2636 5.3571 5.3571 5.4036 5.4036 5.5249 5.5249 5.5289 5.5289 5.5845 5.5845 5.6443 5.6443 5.7370 5.7370 6.9463 6.9463 7.0142 7.0142 9.3923 9.3923 9.7397 9.7397 10.8540 10.8540 11.1675 11.1675 11.4905 11.4905 k = 0.3472 0.5533-0.0000 ( 5511 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1508 -10.1508 -9.0514 -9.0514 -9.0506 -9.0506 -9.0221 -9.0221 -8.9848 -8.9848 -0.7475 -0.7475 -0.7285 -0.7285 3.5460 3.5460 3.7085 3.7085 4.4931 4.4931 4.9657 4.9657 5.0283 5.0283 5.1832 5.1832 5.2620 5.2620 5.3663 5.3663 5.3994 5.3994 5.5260 5.5260 5.5376 5.5376 5.5852 5.5852 5.6276 5.6276 5.7201 5.7201 6.9591 6.9591 7.0092 7.0092 9.4476 9.4476 9.6759 9.6759 10.9399 10.9399 11.1488 11.1488 11.4632 11.4632 k = 0.3403 0.5653-0.0000 ( 5521 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1509 -10.1509 -9.0513 -9.0513 -9.0505 -9.0505 -9.0225 -9.0225 -8.9850 -8.9850 -0.7421 -0.7421 -0.7300 -0.7300 3.5495 3.5495 3.7127 3.7127 4.4750 4.4750 4.9661 4.9661 5.0288 5.0288 5.1841 5.1841 5.2609 5.2609 5.3742 5.3742 5.3947 5.3947 5.5258 5.5258 5.5468 5.5468 5.5867 5.5867 5.6136 5.6136 5.7095 5.7095 6.9718 6.9718 7.0014 7.0014 9.5029 9.5029 9.6155 9.6155 10.9981 10.9981 11.1385 11.1385 11.4466 11.4466 k = 0.3333 0.5774-0.0000 ( 5529 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1509 -10.1509 -9.0513 -9.0513 -9.0505 -9.0505 -9.0227 -9.0227 -8.9850 -8.9850 -0.7400 -0.7400 -0.7308 -0.7308 3.5504 3.5504 3.7142 3.7142 4.4689 4.4689 4.9662 4.9662 5.0290 5.0290 5.1844 5.1844 5.2605 5.2605 5.3782 5.3782 5.3918 5.3918 5.5258 5.5258 5.5508 5.5508 5.5882 5.5882 5.6070 5.6070 5.7059 5.7059 6.9802 6.9802 6.9947 6.9947 9.5538 9.5538 9.5628 9.5628 11.0162 11.0162 11.1385 11.1385 11.4410 11.4410 k = 0.3333 0.5774-0.0000 ( 5529 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1509 -10.1509 -9.0513 -9.0513 -9.0505 -9.0505 -9.0227 -9.0227 -8.9850 -8.9850 -0.7400 -0.7400 -0.7308 -0.7308 3.5504 3.5504 3.7142 3.7142 4.4689 4.4689 4.9662 4.9662 5.0290 5.0290 5.1844 5.1844 5.2605 5.2605 5.3782 5.3782 5.3918 5.3918 5.5258 5.5258 5.5508 5.5508 5.5882 5.5882 5.6070 5.6070 5.7059 5.7059 6.9802 6.9802 6.9947 6.9947 9.5538 9.5538 9.5628 9.5628 11.0162 11.0162 11.1385 11.1385 11.4410 11.4410 k = 0.3262 0.5651-0.0000 ( 5521 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1509 -10.1509 -9.0513 -9.0513 -9.0505 -9.0505 -9.0225 -9.0225 -8.9850 -8.9850 -0.7419 -0.7419 -0.7304 -0.7304 3.5497 3.5497 3.7126 3.7126 4.4750 4.4750 4.9661 4.9661 5.0288 5.0288 5.1841 5.1841 5.2609 5.2609 5.3739 5.3739 5.3950 5.3950 5.5257 5.5257 5.5468 5.5468 5.5868 5.5868 5.6135 5.6135 5.7099 5.7099 6.9696 6.9696 7.0034 7.0034 9.5036 9.5036 9.6149 9.6149 11.0048 11.0048 11.1300 11.1300 11.4469 11.4469 k = 0.3191 0.5528-0.0000 ( 5521 PWs) bands (ev): -27.3041 -27.3041 -27.3005 -27.3005 -10.1653 -10.1653 -10.1508 -10.1508 -9.0514 -9.0514 -9.0506 -9.0506 -9.0221 -9.0221 -8.9848 -8.9848 -0.7463 -0.7463 -0.7307 -0.7307 3.5483 3.5483 3.7084 3.7084 4.4926 4.4926 4.9658 4.9658 5.0282 5.0282 5.1832 5.1832 5.2619 5.2619 5.3650 5.3650 5.4006 5.4006 5.5247 5.5247 5.5388 5.5388 5.5854 5.5854 5.6264 5.6264 5.7221 5.7221 6.9502 6.9502 7.0170 7.0170 9.4531 9.4531 9.6713 9.6713 10.9802 10.9802 11.1003 11.1003 11.4643 11.4643 k = 0.3121 0.5405-0.0000 ( 5525 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1652 -10.1652 -10.1507 -10.1507 -9.0516 -9.0516 -9.0506 -9.0506 -9.0215 -9.0215 -8.9846 -8.9846 -0.7521 -0.7521 -0.7330 -0.7330 3.5464 3.5464 3.7032 3.7032 4.5197 4.5197 4.9652 4.9652 5.0273 5.0273 5.1818 5.1818 5.2633 5.2633 5.3544 5.3544 5.4062 5.4062 5.5203 5.5203 5.5334 5.5334 5.5849 5.5849 5.6406 5.6406 5.7426 5.7426 6.9259 6.9259 7.0311 7.0311 9.4066 9.4066 9.7281 9.7281 10.9472 10.9472 11.0572 11.0572 11.4929 11.4929 k = 0.3050 0.5282-0.0000 ( 5527 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1651 -10.1651 -10.1505 -10.1505 -9.0520 -9.0520 -9.0505 -9.0505 -9.0206 -9.0206 -8.9842 -8.9842 -0.7590 -0.7590 -0.7378 -0.7378 3.5444 3.5444 3.6987 3.6987 4.5542 4.5542 4.9643 4.9643 5.0264 5.0264 5.1799 5.1799 5.2649 5.2649 5.3432 5.3432 5.4115 5.4115 5.5131 5.5131 5.5323 5.5323 5.5848 5.5848 5.6553 5.6553 5.7702 5.7702 6.8972 6.8972 7.0453 7.0453 9.3641 9.3641 9.7856 9.7856 10.9037 10.9037 11.0133 11.0133 11.5322 11.5322 k = 0.2979 0.5159-0.0000 ( 5535 PWs) bands (ev): -27.3042 -27.3042 -27.3005 -27.3005 -10.1649 -10.1649 -10.1502 -10.1502 -9.0526 -9.0526 -9.0502 -9.0502 -9.0196 -9.0196 -8.9838 -8.9838 -0.7670 -0.7670 -0.7452 -0.7452 3.5424 3.5424 3.6966 3.6966 4.5936 4.5936 4.9629 4.9629 5.0256 5.0256 5.1774 5.1774 5.2662 5.2662 5.3325 5.3325 5.4165 5.4165 5.5065 5.5065 5.5326 5.5326 5.5850 5.5850 5.6714 5.6714 5.8035 5.8035 6.8643 6.8643 7.0593 7.0593 9.3260 9.3260 9.8443 9.8443 10.8480 10.8480 10.9768 10.9768 11.5812 11.5812 k = 0.2908 0.5036-0.0000 ( 5527 PWs) bands (ev): -27.3043 -27.3043 -27.3006 -27.3006 -10.1647 -10.1647 -10.1499 -10.1499 -9.0531 -9.0531 -9.0498 -9.0498 -9.0184 -9.0184 -8.9833 -8.9833 -0.7762 -0.7762 -0.7554 -0.7554 3.5411 3.5411 3.6981 3.6981 4.6358 4.6358 4.9607 4.9607 5.0252 5.0252 5.1741 5.1741 5.2673 5.2673 5.3239 5.3239 5.4213 5.4213 5.5018 5.5018 5.5334 5.5334 5.5854 5.5854 5.6898 5.6898 5.8413 5.8413 6.8273 6.8273 7.0731 7.0731 9.2922 9.2922 9.9045 9.9045 10.7829 10.7829 10.9482 10.9482 11.6388 11.6388 k = 0.2837 0.4914-0.0000 ( 5531 PWs) bands (ev): -27.3043 -27.3043 -27.3006 -27.3006 -10.1645 -10.1645 -10.1494 -10.1494 -9.0538 -9.0538 -9.0492 -9.0492 -9.0170 -9.0170 -8.9828 -8.9828 -0.7864 -0.7864 -0.7685 -0.7685 3.5412 3.5412 3.7036 3.7036 4.6783 4.6783 4.9577 4.9577 5.0256 5.0256 5.1692 5.1692 5.2684 5.2684 5.3184 5.3184 5.4257 5.4257 5.4993 5.4993 5.5343 5.5343 5.5859 5.5859 5.7114 5.7114 5.8828 5.8828 6.7865 6.7865 7.0864 7.0864 9.2629 9.2629 9.9667 9.9667 10.7130 10.7130 10.9251 10.9251 11.7035 11.7035 k = 0.2766 0.4791-0.0000 ( 5523 PWs) bands (ev): -27.3044 -27.3044 -27.3007 -27.3007 -10.1642 -10.1642 -10.1489 -10.1489 -9.0544 -9.0544 -9.0485 -9.0485 -9.0156 -9.0156 -8.9822 -8.9822 -0.7977 -0.7977 -0.7843 -0.7843 3.5433 3.5433 3.7132 3.7132 4.7189 4.7189 4.9538 4.9538 5.0269 5.0269 5.1621 5.1621 5.2708 5.2708 5.3170 5.3170 5.4297 5.4297 5.4992 5.4992 5.5354 5.5354 5.5867 5.5867 5.7367 5.7367 5.9274 5.9274 6.7422 6.7422 7.0992 7.0992 9.2383 9.2383 10.0311 10.0311 10.6411 10.6411 10.9059 10.9059 11.7737 11.7737 k = 0.2695 0.4668-0.0000 ( 5537 PWs) bands (ev): -27.3045 -27.3045 -27.3008 -27.3008 -10.1639 -10.1639 -10.1483 -10.1483 -9.0549 -9.0549 -9.0476 -9.0476 -9.0141 -9.0141 -8.9815 -8.9815 -0.8109 -0.8109 -0.8022 -0.8022 3.5484 3.5484 3.7268 3.7268 4.7554 4.7554 4.9490 4.9490 5.0294 5.0294 5.1519 5.1519 5.2757 5.2757 5.3199 5.3199 5.4329 5.4329 5.5016 5.5016 5.5365 5.5365 5.5878 5.5878 5.7664 5.7664 5.9747 5.9747 6.6948 6.6948 7.1114 7.1114 9.2184 9.2184 10.0979 10.0979 10.5690 10.5690 10.8896 10.8896 11.8456 11.8456 k = 0.2624 0.4545-0.0000 ( 5541 PWs) bands (ev): -27.3046 -27.3046 -27.3009 -27.3009 -10.1635 -10.1635 -10.1477 -10.1477 -9.0555 -9.0555 -9.0466 -9.0466 -9.0125 -9.0125 -8.9809 -8.9809 -0.8288 -0.8288 -0.8192 -0.8192 3.5570 3.5570 3.7439 3.7439 4.7859 4.7859 4.9436 4.9436 5.0331 5.0331 5.1389 5.1389 5.2829 5.2829 5.3280 5.3280 5.4353 5.4353 5.5069 5.5069 5.5379 5.5379 5.5893 5.5893 5.8007 5.8007 6.0246 6.0246 6.6447 6.6447 7.1229 7.1229 9.2034 9.2034 10.1669 10.1669 10.4981 10.4981 10.8760 10.8760 11.7858 11.7858 k = 0.2553 0.4422-0.0000 ( 5541 PWs) bands (ev): -27.3047 -27.3047 -27.3010 -27.3010 -10.1631 -10.1631 -10.1469 -10.1469 -9.0560 -9.0560 -9.0454 -9.0454 -9.0108 -9.0108 -8.9802 -8.9802 -0.8524 -0.8524 -0.8340 -0.8340 3.5696 3.5696 3.7644 3.7644 4.8088 4.8088 4.9377 4.9377 5.0383 5.0383 5.1235 5.1235 5.2904 5.2904 5.3431 5.3431 5.4368 5.4368 5.5149 5.5149 5.5399 5.5399 5.5915 5.5915 5.8403 5.8403 6.0768 6.0768 6.5925 6.5925 7.1336 7.1336 9.1933 9.1933 10.2365 10.2365 10.4306 10.4306 10.8646 10.8646 11.7160 11.7160 k = 0.2482 0.4299-0.0000 ( 5541 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1627 -10.1627 -10.1461 -10.1461 -9.0565 -9.0565 -9.0440 -9.0440 -9.0090 -9.0090 -8.9795 -8.9795 -0.8795 -0.8795 -0.8488 -0.8488 3.5864 3.5864 3.7879 3.7879 4.8236 4.8236 4.9315 4.9315 5.0448 5.0448 5.1066 5.1066 5.2965 5.2965 5.3653 5.3653 5.4375 5.4375 5.5253 5.5253 5.5428 5.5428 5.5948 5.5948 5.8852 5.8852 6.1313 6.1313 6.5386 6.5386 7.1435 7.1435 9.1883 9.1883 10.2931 10.2931 10.3805 10.3805 10.8554 10.8554 11.6415 11.6415 k = 0.2411 0.4177-0.0000 ( 5527 PWs) bands (ev): -27.3049 -27.3049 -27.3012 -27.3012 -10.1622 -10.1622 -10.1452 -10.1452 -9.0569 -9.0569 -9.0424 -9.0424 -9.0072 -9.0072 -8.9788 -8.9788 -0.9094 -0.9094 -0.8641 -0.8641 3.6076 3.6076 3.8140 3.8140 4.8307 4.8307 4.9250 4.9250 5.0524 5.0524 5.0889 5.0889 5.3013 5.3013 5.3924 5.3924 5.4376 5.4376 5.5375 5.5375 5.5478 5.5478 5.5999 5.5999 5.9355 5.9355 6.1879 6.1879 6.4838 6.4838 7.1525 7.1525 9.1883 9.1883 10.2698 10.2698 10.4147 10.4147 10.8484 10.8484 11.5645 11.5645 k = 0.2340 0.4054-0.0000 ( 5531 PWs) bands (ev): -27.3050 -27.3050 -27.3013 -27.3013 -10.1617 -10.1617 -10.1442 -10.1442 -9.0573 -9.0573 -9.0407 -9.0407 -9.0054 -9.0054 -8.9781 -8.9781 -0.9416 -0.9416 -0.8799 -0.8799 3.6330 3.6330 3.8424 3.8424 4.8311 4.8311 4.9180 4.9180 5.0596 5.0596 5.0720 5.0720 5.3052 5.3052 5.4199 5.4199 5.4380 5.4380 5.5492 5.5492 5.5572 5.5572 5.6083 5.6083 5.9911 5.9911 6.2466 6.2466 6.4287 6.4287 7.1606 7.1606 9.1933 9.1933 10.2097 10.2097 10.4901 10.4901 10.8435 10.8435 11.4862 11.4862 k = 0.2270 0.3931-0.0000 ( 5539 PWs) bands (ev): -27.3052 -27.3052 -27.3015 -27.3015 -10.1611 -10.1611 -10.1431 -10.1431 -9.0576 -9.0576 -9.0388 -9.0388 -9.0034 -9.0034 -8.9774 -8.9774 -0.9760 -0.9760 -0.8963 -0.8963 3.6626 3.6626 3.8728 3.8728 4.8262 4.8262 4.9103 4.9103 5.0498 5.0498 5.0724 5.0724 5.3086 5.3086 5.4331 5.4331 5.4492 5.4492 5.5606 5.5606 5.5709 5.5709 5.6228 5.6228 6.0510 6.0510 6.3070 6.3070 6.3748 6.3748 7.1679 7.1679 9.2035 9.2035 10.1472 10.1472 10.5719 10.5719 10.8413 10.8413 11.4074 11.4074 k = 0.2199 0.3808-0.0000 ( 5543 PWs) bands (ev): -27.3053 -27.3053 -27.3016 -27.3016 -10.1605 -10.1605 -10.1419 -10.1419 -9.0579 -9.0579 -9.0367 -9.0367 -9.0014 -9.0014 -8.9767 -8.9767 -1.0122 -1.0122 -0.9131 -0.9131 3.6960 3.6960 3.9050 3.9050 4.8173 4.8173 4.9016 4.9016 5.0315 5.0315 5.0816 5.0816 5.3117 5.3117 5.4327 5.4327 5.4669 5.4669 5.5710 5.5710 5.5899 5.5899 5.6461 5.6461 6.1126 6.1126 6.3235 6.3235 6.3707 6.3707 7.1744 7.1744 9.2187 9.2187 10.0856 10.0856 10.6548 10.6548 10.8429 10.8429 11.3286 11.3286 k = 0.2128 0.3685-0.0000 ( 5545 PWs) bands (ev): -27.3055 -27.3055 -27.3018 -27.3018 -10.1598 -10.1598 -10.1407 -10.1407 -9.0581 -9.0581 -9.0344 -9.0344 -8.9994 -8.9994 -8.9760 -8.9760 -1.0501 -1.0501 -0.9302 -0.9302 3.7330 3.7330 3.9384 3.9384 4.8055 4.8055 4.8918 4.8918 5.0129 5.0129 5.0916 5.0916 5.3147 5.3147 5.4312 5.4312 5.4782 5.4782 5.5782 5.5782 5.6162 5.6162 5.6783 5.6783 6.1640 6.1640 6.2892 6.2892 6.4348 6.4349 7.1802 7.1802 9.2390 9.2390 10.0258 10.0258 10.7324 10.7324 10.8538 10.8538 11.2502 11.2502 k = 0.2057 0.3562-0.0000 ( 5553 PWs) bands (ev): -27.3057 -27.3057 -27.3019 -27.3019 -10.1592 -10.1592 -10.1394 -10.1394 -9.0583 -9.0583 -9.0320 -9.0320 -8.9973 -8.9973 -8.9753 -8.9753 -1.0893 -1.0893 -0.9477 -0.9477 3.7731 3.7731 3.9729 3.9729 4.7912 4.7912 4.8810 4.8810 4.9943 4.9943 5.1017 5.1017 5.3176 5.3176 5.4293 5.4293 5.4841 5.4841 5.5832 5.5832 5.6478 5.6478 5.7186 5.7186 6.1656 6.1656 6.3096 6.3096 6.5011 6.5011 7.1855 7.1855 9.2641 9.2641 9.9680 9.9680 10.7846 10.7846 10.8930 10.8930 11.1727 11.1727 k = 0.1986 0.3440-0.0000 ( 5557 PWs) bands (ev): -27.3058 -27.3058 -27.3021 -27.3021 -10.1585 -10.1585 -10.1381 -10.1381 -9.0585 -9.0585 -9.0294 -9.0294 -8.9951 -8.9951 -8.9747 -8.9747 -1.1296 -1.1296 -0.9654 -0.9654 3.8160 3.8160 4.0079 4.0079 4.7751 4.7751 4.8692 4.8692 4.9761 4.9761 5.1118 5.1118 5.3206 5.3206 5.4272 5.4272 5.4866 5.4866 5.5872 5.5872 5.6831 5.6831 5.7654 5.7654 6.1268 6.1268 6.3755 6.3755 6.5692 6.5692 7.1904 7.1904 9.2941 9.2941 9.9125 9.9125 10.8029 10.8029 10.9681 10.9681 11.0962 11.0962 k = 0.1915 0.3317-0.0000 ( 5553 PWs) bands (ev): -27.3060 -27.3060 -27.3023 -27.3023 -10.1578 -10.1578 -10.1367 -10.1367 -9.0587 -9.0587 -9.0267 -9.0267 -8.9929 -8.9929 -8.9741 -8.9741 -1.1708 -1.1708 -0.9833 -0.9833 3.8612 3.8612 4.0433 4.0433 4.7573 4.7573 4.8567 4.8567 4.9581 4.9581 5.1218 5.1218 5.3236 5.3236 5.4249 5.4249 5.4872 5.4872 5.5905 5.5905 5.7219 5.7219 5.8175 5.8175 6.0803 6.0803 6.4539 6.4539 6.6387 6.6387 7.1952 7.1952 9.3288 9.3288 9.8594 9.8594 10.8081 10.8081 11.0194 11.0194 11.0591 11.0591 k = 0.1844 0.3194-0.0000 ( 5557 PWs) bands (ev): -27.3062 -27.3062 -27.3025 -27.3025 -10.1570 -10.1570 -10.1353 -10.1353 -9.0588 -9.0588 -9.0238 -9.0238 -8.9907 -8.9907 -8.9735 -8.9735 -1.2125 -1.2125 -1.0012 -1.0012 3.9081 3.9081 4.0787 4.0787 4.7381 4.7381 4.8434 4.8434 4.9405 4.9405 5.1314 5.1314 5.3267 5.3267 5.4225 5.4225 5.4865 5.4865 5.5935 5.5935 5.7641 5.7641 5.8740 5.8740 6.0339 6.0339 6.5370 6.5370 6.7096 6.7096 7.2003 7.2003 9.3680 9.3680 9.8087 9.8087 10.8082 10.8082 10.9473 10.9473 11.1517 11.1517 k = 0.1773 0.3071-0.0000 ( 5549 PWs) bands (ev): -27.3064 -27.3064 -27.3026 -27.3026 -10.1563 -10.1563 -10.1338 -10.1338 -9.0590 -9.0590 -9.0208 -9.0208 -8.9883 -8.9883 -8.9729 -8.9729 -1.2546 -1.2546 -1.0190 -1.0190 3.9563 3.9563 4.1136 4.1136 4.7176 4.7176 4.8296 4.8296 4.9234 4.9234 5.1407 5.1407 5.3301 5.3301 5.4200 5.4200 5.4850 5.4850 5.5962 5.5962 5.8095 5.8095 5.9326 5.9326 5.9921 5.9921 6.6224 6.6224 6.7815 6.7815 7.2062 7.2062 9.4117 9.4117 9.7605 9.7605 10.8028 10.8028 10.8788 10.8788 11.2459 11.2459 k = 0.1702 0.2948-0.0000 ( 5549 PWs) bands (ev): -27.3066 -27.3066 -27.3028 -27.3028 -10.1555 -10.1555 -10.1323 -10.1323 -9.0591 -9.0591 -9.0177 -9.0177 -8.9860 -8.9860 -8.9724 -8.9724 -1.2968 -1.2968 -1.0368 -1.0368 4.0053 4.0053 4.1479 4.1479 4.6958 4.6958 4.8153 4.8153 4.9067 4.9067 5.1494 5.1494 5.3337 5.3337 5.4174 5.4174 5.4830 5.4830 5.5986 5.5986 5.8553 5.8553 5.9451 5.9451 6.0069 6.0069 6.7087 6.7087 6.8536 6.8536 7.2136 7.2136 9.4596 9.4596 9.7149 9.7149 10.7773 10.7773 10.8298 10.8298 11.3384 11.3384 k = 0.1631 0.2825-0.0000 ( 5543 PWs) bands (ev): -27.3068 -27.3068 -27.3030 -27.3030 -10.1547 -10.1547 -10.1307 -10.1307 -9.0592 -9.0592 -9.0145 -9.0145 -8.9836 -8.9836 -8.9719 -8.9719 -1.3389 -1.3389 -1.0543 -1.0543 4.0545 4.0545 4.1811 4.1811 4.6731 4.6731 4.8006 4.8006 4.8906 4.8906 5.1575 5.1575 5.3375 5.3375 5.4147 5.4147 5.4805 5.4805 5.6007 5.6007 5.8767 5.8767 5.9408 5.9408 6.0747 6.0747 6.7948 6.7948 6.9250 6.9250 7.2240 7.2240 9.5115 9.5115 9.6720 9.6720 10.7193 10.7193 10.8125 10.8125 11.4252 11.4252 k = 0.1560 0.2702-0.0000 ( 5537 PWs) bands (ev): -27.3070 -27.3070 -27.3032 -27.3032 -10.1539 -10.1539 -10.1292 -10.1292 -9.0593 -9.0593 -9.0112 -9.0112 -8.9812 -8.9812 -8.9714 -8.9714 -1.3806 -1.3806 -1.0717 -1.0717 4.1036 4.1036 4.2130 4.2130 4.6494 4.6494 4.7857 4.7857 4.8750 4.8750 5.1648 5.1648 5.3417 5.3417 5.4120 5.4120 5.4779 5.4779 5.6025 5.6025 5.8514 5.8514 5.9889 5.9889 6.1490 6.1490 6.8796 6.8796 6.9937 6.9937 7.2397 7.2397 9.5670 9.5670 9.6320 9.6320 10.6539 10.6539 10.8011 10.8011 11.4983 11.4983 k = 0.1489 0.2580-0.0000 ( 5525 PWs) bands (ev): -27.3072 -27.3072 -27.3034 -27.3034 -10.1532 -10.1532 -10.1276 -10.1276 -9.0595 -9.0595 -9.0079 -9.0079 -8.9787 -8.9787 -8.9709 -8.9709 -1.4219 -1.4219 -1.0887 -1.0887 4.1519 4.1519 4.2435 4.2435 4.6250 4.6250 4.7708 4.7708 4.8601 4.8601 5.1712 5.1712 5.3462 5.3462 5.4093 5.4093 5.4750 5.4750 5.6039 5.6039 5.8194 5.8194 6.0515 6.0515 6.2284 6.2284 6.9612 6.9612 7.0568 7.0568 7.2649 7.2649 9.5923 9.5923 9.6286 9.6286 10.5888 10.5888 10.7876 10.7876 11.5418 11.5418 k = 0.1418 0.2457-0.0000 ( 5517 PWs) bands (ev): -27.3074 -27.3074 -27.3036 -27.3036 -10.1524 -10.1524 -10.1261 -10.1261 -9.0596 -9.0596 -9.0045 -9.0045 -8.9762 -8.9762 -8.9705 -8.9705 -1.4623 -1.4623 -1.1053 -1.1053 4.1989 4.1989 4.2723 4.2723 4.6002 4.6002 4.7557 4.7557 4.8457 4.8457 5.1767 5.1767 5.3509 5.3509 5.4066 5.4066 5.4721 5.4721 5.6049 5.6049 5.7891 5.7891 6.1205 6.1205 6.3128 6.3128 7.0356 7.0356 7.1127 7.1127 7.3046 7.3046 9.5580 9.5580 9.6908 9.6908 10.5254 10.5254 10.7698 10.7698 11.5439 11.5439 k = 0.1348 0.2334-0.0000 ( 5517 PWs) bands (ev): -27.3076 -27.3076 -27.3038 -27.3038 -10.1516 -10.1516 -10.1245 -10.1245 -9.0597 -9.0597 -9.0011 -9.0011 -8.9738 -8.9738 -8.9700 -8.9700 -1.5019 -1.5019 -1.1215 -1.1215 4.2440 4.2440 4.2993 4.2993 4.5754 4.5754 4.7408 4.7408 4.8319 4.8319 5.1813 5.1813 5.3558 5.3558 5.4040 5.4040 5.4690 5.4690 5.6051 5.6051 5.7619 5.7619 6.1948 6.1948 6.4021 6.4021 7.0927 7.0927 7.1691 7.1691 7.3607 7.3607 9.5256 9.5256 9.7571 9.7571 10.4641 10.4641 10.7464 10.7464 11.5170 11.5170 k = 0.1277 0.2211-0.0000 ( 5523 PWs) bands (ev): -27.3078 -27.3078 -27.3040 -27.3040 -10.1509 -10.1509 -10.1230 -10.1230 -9.0599 -9.0599 -8.9978 -8.9978 -8.9713 -8.9713 -8.9695 -8.9695 -1.5403 -1.5403 -1.1371 -1.1371 4.2859 4.2859 4.3251 4.3251 4.5510 4.5510 4.7262 4.7262 4.8188 4.8188 5.1849 5.1849 5.3607 5.3607 5.4015 5.4015 5.4660 5.4660 5.6044 5.6044 5.7382 5.7382 6.2741 6.2741 6.4961 6.4961 7.1267 7.1267 7.2349 7.2349 7.4297 7.4297 9.4956 9.4956 9.8266 9.8266 10.4054 10.4054 10.7165 10.7165 11.4778 11.4778 k = 0.1206 0.2088-0.0000 ( 5517 PWs) bands (ev): -27.3080 -27.3080 -27.3042 -27.3042 -10.1502 -10.1502 -10.1215 -10.1215 -9.0601 -9.0601 -8.9944 -8.9944 -8.9695 -8.9695 -8.9685 -8.9685 -1.5776 -1.5776 -1.1522 -1.1522 4.3214 4.3214 4.3520 4.3520 4.5279 4.5279 4.7119 4.7119 4.8064 4.8064 5.1877 5.1877 5.3654 5.3654 5.3993 5.3993 5.4630 5.4630 5.6028 5.6028 5.7184 5.7184 6.3580 6.3580 6.5945 6.5945 7.1474 7.1474 7.3047 7.3047 7.5067 7.5067 9.4681 9.4681 9.8989 9.8989 10.3493 10.3493 10.6792 10.6792 11.4342 11.4342 k = 0.1135 0.1965-0.0000 ( 5517 PWs) bands (ev): -27.3082 -27.3082 -27.3043 -27.3043 -10.1495 -10.1495 -10.1200 -10.1200 -9.0602 -9.0602 -8.9912 -8.9912 -8.9689 -8.9689 -8.9663 -8.9663 -1.6134 -1.6134 -1.1667 -1.1667 4.3450 4.3450 4.3839 4.3839 4.5076 4.5076 4.6981 4.6981 4.7947 4.7947 5.1897 5.1897 5.3694 5.3694 5.3978 5.3978 5.4600 5.4600 5.5999 5.5999 5.7023 5.7023 6.4463 6.4463 6.6968 6.6968 7.1633 7.1633 7.3735 7.3735 7.5887 7.5887 9.4429 9.4429 9.9738 9.9738 10.2961 10.2961 10.6337 10.6337 11.3897 11.3897 k = 0.1064 0.1843-0.0000 ( 5507 PWs) bands (ev): -27.3084 -27.3084 -27.3045 -27.3045 -10.1488 -10.1488 -10.1186 -10.1186 -9.0604 -9.0604 -8.9880 -8.9880 -8.9684 -8.9684 -8.9639 -8.9639 -1.6477 -1.6477 -1.1806 -1.1806 4.3570 4.3570 4.4184 4.4184 4.4923 4.4923 4.6849 4.6849 4.7837 4.7837 5.1910 5.1910 5.3723 5.3723 5.3976 5.3976 5.4572 5.4572 5.5958 5.5958 5.6901 5.6901 6.5387 6.5387 6.8013 6.8013 7.1789 7.1789 7.4390 7.4390 7.6738 7.6738 9.4199 9.4199 10.0509 10.0509 10.2458 10.2458 10.5796 10.5796 11.3459 11.3459 k = 0.0993 0.1720-0.0000 ( 5513 PWs) bands (ev): -27.3085 -27.3085 -27.3047 -27.3047 -10.1481 -10.1481 -10.1172 -10.1172 -9.0606 -9.0606 -8.9850 -8.9850 -8.9680 -8.9680 -8.9616 -8.9616 -1.6803 -1.6803 -1.1937 -1.1937 4.3585 4.3585 4.4519 4.4519 4.4845 4.4845 4.6724 4.6724 4.7734 4.7734 5.1916 5.1916 5.3733 5.3733 5.3990 5.3990 5.4544 5.4544 5.5905 5.5905 5.6812 5.6812 6.6349 6.6349 6.9049 6.9049 7.1990 7.1990 7.5003 7.5003 7.7610 7.7610 9.3990 9.3990 10.1300 10.1300 10.1984 10.1984 10.5168 10.5168 11.3035 11.3035 k = 0.0922 0.1597-0.0000 ( 5519 PWs) bands (ev): -27.3087 -27.3087 -27.3049 -27.3049 -10.1475 -10.1475 -10.1159 -10.1159 -9.0607 -9.0607 -8.9821 -8.9821 -8.9674 -8.9674 -8.9594 -8.9594 -1.7112 -1.7112 -1.2061 -1.2061 4.3507 4.3507 4.4780 4.4780 4.4897 4.4897 4.6608 4.6608 4.7638 4.7638 5.1917 5.1917 5.3727 5.3727 5.4018 5.4018 5.4518 5.4518 5.5847 5.5847 5.6750 5.6750 6.7344 6.7344 6.9996 6.9996 7.2321 7.2321 7.5569 7.5569 7.8497 7.8497 9.3801 9.3801 10.1538 10.1538 10.2105 10.2105 10.4454 10.4454 11.2631 11.2631 k = 0.0851 0.1474-0.0000 ( 5527 PWs) bands (ev): -27.3089 -27.3089 -27.3050 -27.3050 -10.1470 -10.1470 -10.1147 -10.1147 -9.0609 -9.0609 -8.9795 -8.9795 -8.9668 -8.9668 -8.9572 -8.9572 -1.7402 -1.7402 -1.2177 -1.2177 4.3364 4.3364 4.4863 4.4863 4.5153 4.5153 4.6504 4.6504 4.7550 4.7550 5.1913 5.1913 5.3710 5.3710 5.4056 5.4056 5.4494 5.4494 5.5786 5.5786 5.6709 5.6709 6.8367 6.8367 7.0708 7.0708 7.2929 7.2929 7.6085 7.6085 7.9392 7.9392 9.3628 9.3628 10.1119 10.1119 10.2919 10.2919 10.3659 10.3659 11.2183 11.2183 k = 0.0780 0.1351-0.0000 ( 5517 PWs) bands (ev): -27.3090 -27.3090 -27.3052 -27.3052 -10.1464 -10.1464 -10.1135 -10.1135 -9.0611 -9.0611 -8.9773 -8.9773 -8.9661 -8.9661 -8.9552 -8.9552 -1.7672 -1.7672 -1.2285 -1.2285 4.3187 4.3187 4.4942 4.4942 4.5411 4.5411 4.6415 4.6415 4.7470 4.7470 5.1907 5.1907 5.3687 5.3687 5.4098 5.4098 5.4472 5.4472 5.5728 5.5728 5.6683 5.6683 6.9411 6.9411 7.1123 7.1123 7.3875 7.3875 7.6551 7.6551 8.0292 8.0292 9.3471 9.3471 10.0723 10.0723 10.2785 10.2785 10.3744 10.3744 11.0950 11.0950 k = 0.0709 0.1228-0.0000 ( 5525 PWs) bands (ev): -27.3092 -27.3092 -27.3053 -27.3053 -10.1459 -10.1459 -10.1124 -10.1124 -9.0612 -9.0612 -8.9754 -8.9754 -8.9651 -8.9651 -8.9533 -8.9533 -1.7922 -1.7922 -1.2384 -1.2384 4.2999 4.2999 4.5024 4.5024 4.5633 4.5633 4.6348 4.6348 4.7398 4.7398 5.1898 5.1898 5.3661 5.3661 5.4140 5.4140 5.4452 5.4452 5.5674 5.5674 5.6667 5.6667 7.0457 7.0457 7.1364 7.1364 7.5046 7.5046 7.6966 7.6966 8.1191 8.1191 9.3329 9.3329 10.0342 10.0342 10.1855 10.1855 10.4561 10.4561 10.9734 10.9734 k = 0.0638 0.1106-0.0000 ( 5533 PWs) bands (ev): -27.3093 -27.3093 -27.3054 -27.3054 -10.1455 -10.1455 -10.1114 -10.1114 -9.0614 -9.0614 -8.9739 -8.9739 -8.9640 -8.9640 -8.9515 -8.9515 -1.8150 -1.8150 -1.2475 -1.2475 4.2812 4.2812 4.5102 4.5102 4.5804 4.5804 4.6317 4.6317 4.7336 4.7336 5.1887 5.1887 5.3635 5.3635 5.4179 5.4179 5.4435 5.4435 5.5625 5.5625 5.6657 5.6657 7.1317 7.1317 7.1711 7.1711 7.6333 7.6333 7.7334 7.7334 8.2084 8.2084 9.3199 9.3199 9.9964 9.9964 10.0880 10.0880 10.5369 10.5369 10.8561 10.8561 k = 0.0567 0.0983-0.0000 ( 5533 PWs) bands (ev): -27.3094 -27.3094 -27.3056 -27.3056 -10.1451 -10.1451 -10.1105 -10.1105 -9.0616 -9.0616 -8.9727 -8.9727 -8.9627 -8.9627 -8.9498 -8.9498 -1.8356 -1.8356 -1.2557 -1.2557 4.2634 4.2634 4.5170 4.5170 4.5903 4.5903 4.6342 4.6342 4.7284 4.7284 5.1875 5.1875 5.3610 5.3610 5.4215 5.4215 5.4421 5.4421 5.5583 5.5583 5.6651 5.6651 7.1518 7.1518 7.2672 7.2672 7.7651 7.7651 7.7691 7.7691 8.2964 8.2964 9.3081 9.3081 9.9529 9.9529 9.9926 9.9926 10.6155 10.6155 10.7445 10.7445 k = 0.0496 0.0860-0.0000 ( 5533 PWs) bands (ev): -27.3095 -27.3095 -27.3057 -27.3057 -10.1447 -10.1447 -10.1097 -10.1097 -9.0617 -9.0617 -8.9719 -8.9719 -8.9613 -8.9613 -8.9483 -8.9483 -1.8540 -1.8540 -1.2630 -1.2630 4.2470 4.2470 4.5226 4.5226 4.5936 4.5936 4.6418 4.6418 4.7245 4.7245 5.1863 5.1863 5.3586 5.3586 5.4245 5.4245 5.4411 5.4411 5.5548 5.5548 5.6649 5.6649 7.1602 7.1602 7.3708 7.3708 7.7941 7.7941 7.9070 7.9070 8.3824 8.3824 9.2974 9.2974 9.8723 9.8723 9.9308 9.9308 10.6376 10.6376 10.6925 10.6925 k = 0.0426 0.0737-0.0000 ( 5529 PWs) bands (ev): -27.3096 -27.3096 -27.3057 -27.3057 -10.1444 -10.1444 -10.1090 -10.1090 -9.0618 -9.0618 -8.9714 -8.9714 -8.9600 -8.9600 -8.9470 -8.9470 -1.8700 -1.8700 -1.2694 -1.2694 4.2323 4.2323 4.5268 4.5268 4.5939 4.5939 4.6507 4.6507 4.7221 4.7221 5.1852 5.1852 5.3565 5.3565 5.4268 5.4268 5.4407 5.4407 5.5518 5.5518 5.6648 5.6648 7.1662 7.1662 7.4712 7.4712 7.8194 7.8194 8.0463 8.0463 8.4656 8.4656 9.2876 9.2876 9.7724 9.7724 9.8847 9.8847 10.5407 10.5407 10.6758 10.6758 k = 0.0355 0.0614-0.0000 ( 5527 PWs) bands (ev): -27.3097 -27.3097 -27.3058 -27.3058 -10.1441 -10.1441 -10.1084 -10.1084 -9.0619 -9.0619 -8.9710 -8.9710 -8.9587 -8.9587 -8.9459 -8.9459 -1.8836 -1.8836 -1.2747 -1.2747 4.2195 4.2195 4.5296 4.5296 4.5936 4.5936 4.6582 4.6582 4.7212 4.7212 5.1841 5.1841 5.3546 5.3546 5.4283 5.4283 5.4408 5.4408 5.5494 5.5494 5.6648 5.6648 7.1709 7.1709 7.5648 7.5648 7.8426 7.8426 8.1833 8.1833 8.5455 8.5455 9.2787 9.2787 9.6741 9.6741 9.8328 9.8328 10.4525 10.4525 10.5351 10.5351 k = 0.0284 0.0491-0.0000 ( 5519 PWs) bands (ev): -27.3098 -27.3098 -27.3059 -27.3059 -10.1439 -10.1439 -10.1079 -10.1079 -9.0620 -9.0620 -8.9707 -8.9707 -8.9577 -8.9577 -8.9450 -8.9450 -1.8948 -1.8948 -1.2792 -1.2792 4.2088 4.2088 4.5312 4.5312 4.5936 4.5936 4.6634 4.6634 4.7218 4.7218 5.1832 5.1832 5.3531 5.3531 5.4292 5.4292 5.4414 5.4414 5.5475 5.5475 5.6649 5.6649 7.1745 7.1745 7.6470 7.6470 7.8654 7.8654 8.3133 8.3133 8.6220 8.6220 9.2704 9.2704 9.5830 9.5830 9.7701 9.7701 10.3756 10.3756 10.4173 10.4173 k = 0.0213 0.0369-0.0000 ( 5525 PWs) bands (ev): -27.3098 -27.3098 -27.3059 -27.3059 -10.1437 -10.1437 -10.1075 -10.1075 -9.0621 -9.0621 -8.9705 -8.9705 -8.9568 -8.9568 -8.9442 -8.9442 -1.9035 -1.9035 -1.2826 -1.2826 4.2004 4.2004 4.5320 4.5320 4.5939 4.5939 4.6666 4.6666 4.7233 4.7233 5.1824 5.1824 5.3518 5.3518 5.4294 5.4294 5.4422 5.4422 5.5460 5.5460 5.6649 5.6649 7.1772 7.1772 7.7124 7.7124 7.8895 7.8895 8.4284 8.4284 8.6960 8.6960 9.2622 9.2622 9.5037 9.5037 9.6965 9.6965 10.3126 10.3126 10.3269 10.3269 k = 0.0142 0.0246-0.0000 ( 5513 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1436 -10.1436 -10.1072 -10.1072 -9.0621 -9.0621 -8.9703 -8.9703 -8.9561 -8.9561 -8.9437 -8.9437 -1.9098 -1.9098 -1.2851 -1.2851 4.1943 4.1943 4.5323 4.5323 4.5944 4.5944 4.6683 4.6683 4.7250 4.7250 5.1819 5.1819 5.3509 5.3509 5.4295 5.4295 5.4429 5.4429 5.5450 5.5450 5.6649 5.6649 7.1792 7.1792 7.7565 7.7565 7.9149 7.9149 8.5178 8.5178 8.7676 8.7676 9.2533 9.2533 9.4415 9.4415 9.6199 9.6199 10.2634 10.2634 10.2674 10.2674 k = 0.0071 0.0123-0.0000 ( 5509 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1435 -10.1435 -10.1070 -10.1070 -9.0622 -9.0622 -8.9703 -8.9703 -8.9558 -8.9558 -8.9434 -8.9434 -1.9136 -1.9136 -1.2866 -1.2866 4.1906 4.1906 4.5324 4.5324 4.5948 4.5948 4.6690 4.6690 4.7263 4.7263 5.1815 5.1815 5.3504 5.3504 5.4295 5.4295 5.4434 5.4434 5.5444 5.5444 5.6650 5.6650 7.1803 7.1803 7.7801 7.7801 7.9357 7.9357 8.5726 8.5726 8.8277 8.8277 9.2442 9.2442 9.4014 9.4014 9.5582 9.5582 10.2280 10.2280 10.2386 10.2386 k = 0.0000 0.0000 0.0000 ( 5501 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1435 -10.1435 -10.1069 -10.1069 -9.0622 -9.0622 -8.9702 -8.9702 -8.9556 -8.9556 -8.9433 -8.9433 -1.9148 -1.9148 -1.2871 -1.2871 4.1894 4.1894 4.5325 4.5325 4.5951 4.5951 4.6692 4.6692 4.7267 4.7267 5.1814 5.1814 5.3502 5.3502 5.4295 5.4295 5.4436 5.4436 5.5442 5.5442 5.6650 5.6650 7.1807 7.1807 7.7873 7.7873 7.9439 7.9439 8.5907 8.5907 8.8531 8.8531 9.2394 9.2394 9.3876 9.3876 9.5339 9.5339 10.2162 10.2162 10.2291 10.2291 k = 0.0000 0.0000 0.0000 ( 5501 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1435 -10.1435 -10.1069 -10.1069 -9.0622 -9.0622 -8.9702 -8.9702 -8.9556 -8.9556 -8.9433 -8.9433 -1.9148 -1.9148 -1.2871 -1.2871 4.1894 4.1894 4.5325 4.5325 4.5951 4.5951 4.6692 4.6692 4.7267 4.7267 5.1814 5.1814 5.3502 5.3502 5.4295 5.4295 5.4436 5.4436 5.5442 5.5442 5.6650 5.6650 7.1807 7.1807 7.7873 7.7873 7.9439 7.9439 8.5907 8.5907 8.8531 8.8531 9.2394 9.2394 9.3876 9.3876 9.5339 9.5339 10.2162 10.2162 10.2291 10.2291 k = 0.0000 0.0000 0.0143 ( 5495 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1434 -10.1434 -10.1070 -10.1070 -9.0620 -9.0620 -8.9704 -8.9704 -8.9556 -8.9556 -8.9433 -8.9433 -1.9138 -1.9138 -1.2885 -1.2885 4.1923 4.1923 4.5327 4.5327 4.5955 4.5955 4.6689 4.6689 4.7264 4.7264 5.1812 5.1812 5.3503 5.3503 5.4292 5.4292 5.4438 5.4438 5.5440 5.5440 5.6655 5.6655 7.1714 7.1714 7.7883 7.7883 7.9450 7.9450 8.5872 8.5872 8.8500 8.8500 9.2508 9.2508 9.3881 9.3881 9.5346 9.5346 10.2180 10.2180 10.2310 10.2310 k = 0.0000 0.0000 0.0285 ( 5508 PWs) bands (ev): -27.3099 -27.3099 -27.3060 -27.3060 -10.1432 -10.1432 -10.1072 -10.1072 -9.0615 -9.0615 -8.9710 -8.9710 -8.9555 -8.9555 -8.9434 -8.9434 -1.9106 -1.9106 -1.2926 -1.2926 4.2007 4.2007 4.5334 4.5334 4.5968 4.5968 4.6682 4.6682 4.7254 4.7254 5.1801 5.1801 5.3505 5.3505 5.4283 5.4283 5.4443 5.4443 5.5434 5.5434 5.6669 5.6669 7.1441 7.1441 7.7914 7.7914 7.9485 7.9485 8.5770 8.5770 8.8409 8.8409 9.2835 9.2835 9.3896 9.3896 9.5367 9.5367 10.2233 10.2233 10.2364 10.2364 k = 0.0000 0.0000 0.0428 ( 5502 PWs) bands (ev): -27.3098 -27.3098 -27.3061 -27.3061 -10.1428 -10.1428 -10.1075 -10.1075 -9.0607 -9.0607 -8.9719 -8.9719 -8.9554 -8.9554 -8.9435 -8.9435 -1.9054 -1.9054 -1.2994 -1.2994 4.2147 4.2147 4.5347 4.5347 4.5992 4.5992 4.6669 4.6669 4.7237 4.7237 5.1787 5.1787 5.3507 5.3507 5.4271 5.4271 5.4452 5.4452 5.5424 5.5424 5.6692 5.6692 7.1004 7.1004 7.7964 7.7964 7.9543 7.9543 8.5612 8.5612 8.8261 8.8261 9.3346 9.3346 9.3921 9.3921 9.5409 9.5409 10.2322 10.2322 10.2456 10.2456 k = 0.0000 0.0000 0.0570 ( 5502 PWs) bands (ev): -27.3098 -27.3098 -27.3061 -27.3061 -10.1423 -10.1423 -10.1079 -10.1079 -9.0596 -9.0596 -8.9732 -8.9732 -8.9552 -8.9552 -8.9437 -8.9437 -1.8981 -1.8981 -1.3089 -1.3089 4.2339 4.2339 4.5365 4.5365 4.6026 4.6026 4.6651 4.6651 4.7213 4.7213 5.1764 5.1764 5.3510 5.3510 5.4252 5.4252 5.4464 5.4464 5.5409 5.5409 5.6725 5.6725 7.0428 7.0428 7.8035 7.8035 7.9623 7.9623 8.5410 8.5410 8.8059 8.8059 9.3955 9.3955 9.3982 9.3982 9.5497 9.5497 10.2446 10.2446 10.2583 10.2583 k = 0.0000 0.0000 0.0713 ( 5514 PWs) bands (ev): -27.3097 -27.3097 -27.3062 -27.3062 -10.1416 -10.1416 -10.1085 -10.1085 -9.0582 -9.0582 -8.9749 -8.9749 -8.9550 -8.9550 -8.9439 -8.9439 -1.8887 -1.8887 -1.3209 -1.3209 4.2582 4.2582 4.5388 4.5388 4.6070 4.6070 4.6628 4.6628 4.7183 4.7183 5.1732 5.1732 5.3514 5.3514 5.4228 5.4228 5.4479 5.4479 5.5390 5.5390 5.6770 5.6770 6.9739 6.9739 7.8126 7.8126 7.9727 7.9727 8.5171 8.5171 8.7811 8.7811 9.3998 9.3998 9.4615 9.4615 9.5726 9.5726 10.2606 10.2606 10.2748 10.2748 k = 0.0000 0.0000 0.0855 ( 5532 PWs) bands (ev): -27.3096 -27.3096 -27.3063 -27.3063 -10.1408 -10.1408 -10.1092 -10.1092 -9.0565 -9.0565 -8.9769 -8.9769 -8.9548 -8.9548 -8.9441 -8.9441 -1.8774 -1.8774 -1.3352 -1.3352 4.2871 4.2871 4.5415 4.5415 4.6126 4.6126 4.6601 4.6601 4.7146 4.7146 5.1691 5.1691 5.3520 5.3520 5.4198 5.4198 5.4496 5.4496 5.5368 5.5368 5.6826 5.6826 6.8964 6.8964 7.8236 7.8236 7.9852 7.9852 8.4904 8.4904 8.7522 8.7522 9.4051 9.4051 9.5005 9.5005 9.6307 9.6307 10.2801 10.2801 10.2948 10.2948 k = 0.0000 0.0000 0.0998 ( 5532 PWs) bands (ev): -27.3095 -27.3095 -27.3064 -27.3064 -10.1399 -10.1399 -10.1100 -10.1100 -9.0545 -9.0545 -8.9792 -8.9792 -8.9545 -8.9545 -8.9444 -8.9444 -1.8642 -1.8642 -1.3517 -1.3517 4.3199 4.3199 4.5447 4.5447 4.6197 4.6197 4.6569 4.6569 4.7104 4.7104 5.1639 5.1639 5.3525 5.3525 5.4165 5.4165 5.4518 5.4518 5.5342 5.5342 5.6896 5.6896 6.8128 6.8128 7.8366 7.8366 8.0000 8.0000 8.4614 8.4614 8.7200 8.7200 9.4111 9.4111 9.5156 9.5156 9.7208 9.7208 10.3031 10.3031 10.3185 10.3185 k = 0.0000 0.0000 0.1140 ( 5520 PWs) bands (ev): -27.3094 -27.3094 -27.3065 -27.3065 -10.1389 -10.1389 -10.1109 -10.1109 -9.0522 -9.0522 -8.9818 -8.9818 -8.9542 -8.9542 -8.9447 -8.9447 -1.8492 -1.8492 -1.3703 -1.3703 4.3561 4.3561 4.5484 4.5484 4.6284 4.6284 4.6533 4.6533 4.7056 4.7056 5.1572 5.1572 5.3533 5.3533 5.4127 5.4127 5.4543 5.4543 5.5314 5.5314 5.6983 5.6983 6.7251 6.7251 7.8515 7.8515 8.0170 8.0170 8.4306 8.4306 8.6850 8.6850 9.4179 9.4179 9.5223 9.5223 9.8254 9.8254 10.3297 10.3297 10.3458 10.3458 k = 0.0000 0.0000 0.1283 ( 5520 PWs) bands (ev): -27.3093 -27.3093 -27.3066 -27.3066 -10.1377 -10.1377 -10.1119 -10.1119 -9.0497 -9.0497 -8.9847 -8.9847 -8.9538 -8.9538 -8.9451 -8.9451 -1.8324 -1.8324 -1.3908 -1.3908 4.3946 4.3946 4.5524 4.5524 4.6394 4.6394 4.6493 4.6493 4.7001 4.7001 5.1488 5.1488 5.3541 5.3541 5.4086 5.4086 5.4570 5.4570 5.5282 5.5282 5.7088 5.7088 6.6355 6.6355 7.8683 7.8683 8.0362 8.0362 8.3983 8.3983 8.6480 8.6480 9.4253 9.4253 9.5259 9.5259 9.9375 9.9375 10.3598 10.3598 10.3767 10.3767 k = 0.0000 0.0000 0.1425 ( 5520 PWs) bands (ev): -27.3092 -27.3092 -27.3067 -27.3067 -10.1365 -10.1365 -10.1130 -10.1130 -9.0469 -9.0469 -8.9878 -8.9878 -8.9534 -8.9534 -8.9455 -8.9455 -1.8140 -1.8140 -1.4129 -1.4129 4.4340 4.4340 4.5568 4.5568 4.6449 4.6449 4.6534 4.6534 4.6941 4.6941 5.1383 5.1383 5.3551 5.3551 5.4042 5.4042 5.4601 5.4601 5.5248 5.5248 5.7214 5.7214 6.5454 6.5454 7.8870 7.8870 8.0574 8.0574 8.3650 8.3650 8.6094 8.6094 9.4332 9.4332 9.5277 9.5277 10.0541 10.0541 10.3934 10.3934 10.4112 10.4112 k = 0.0000 0.0000 0.1568 ( 5544 PWs) bands (ev): -27.3091 -27.3091 -27.3068 -27.3068 -10.1352 -10.1352 -10.1142 -10.1142 -9.0439 -9.0439 -8.9911 -8.9911 -8.9530 -8.9530 -8.9459 -8.9459 -1.7940 -1.7940 -1.4364 -1.4364 4.4725 4.4725 4.5616 4.5616 4.6401 4.6401 4.6715 4.6715 4.6875 4.6875 5.1253 5.1253 5.3560 5.3560 5.3995 5.3995 5.4633 5.4633 5.5210 5.5210 5.7364 5.7364 6.4563 6.4563 7.9074 7.9074 8.0807 8.0807 8.3308 8.3308 8.5697 8.5697 9.4416 9.4416 9.5282 9.5282 10.1735 10.1735 10.4304 10.4304 10.4492 10.4492 k = 0.0000 0.0000 0.1710 ( 5544 PWs) bands (ev): -27.3089 -27.3089 -27.3070 -27.3070 -10.1338 -10.1338 -10.1155 -10.1155 -9.0406 -9.0406 -8.9947 -8.9947 -8.9526 -8.9526 -8.9464 -8.9464 -1.7726 -1.7726 -1.4611 -1.4611 4.5080 4.5080 4.5666 4.5666 4.6351 4.6351 4.6805 4.6805 4.6952 4.6952 5.1093 5.1093 5.3572 5.3572 5.3947 5.3947 5.4668 5.4668 5.5171 5.5171 5.7544 5.7544 6.3697 6.3697 7.9295 7.9295 8.1060 8.1060 8.2963 8.2963 8.5296 8.5296 9.4504 9.4504 9.5276 9.5276 10.2946 10.2946 10.4709 10.4709 10.4909 10.4909 k = 0.0000 0.0000 0.1853 ( 5586 PWs) bands (ev): -27.3088 -27.3088 -27.3071 -27.3071 -10.1323 -10.1323 -10.1169 -10.1169 -9.0372 -9.0372 -8.9984 -8.9984 -8.9521 -8.9521 -8.9469 -8.9469 -1.7499 -1.7499 -1.4867 -1.4867 4.5386 4.5386 4.5719 4.5719 4.6297 4.6297 4.6729 4.6729 4.7253 4.7253 5.0899 5.0899 5.3584 5.3584 5.3898 5.3898 5.4704 5.4704 5.5129 5.5129 5.7756 5.7756 6.2866 6.2866 7.9533 7.9533 8.1333 8.1333 8.2616 8.2616 8.4892 8.4892 9.4592 9.4592 9.5258 9.5258 10.4164 10.4164 10.5147 10.5147 10.5361 10.5361 k = 0.0000 0.0000 0.1995 ( 5586 PWs) bands (ev): -27.3086 -27.3086 -27.3073 -27.3073 -10.1308 -10.1308 -10.1183 -10.1183 -9.0336 -9.0336 -9.0022 -9.0022 -8.9516 -8.9516 -8.9474 -8.9474 -1.7260 -1.7260 -1.5132 -1.5132 4.5636 4.5636 4.5774 4.5774 4.6242 4.6242 4.6648 4.6648 4.7618 4.7618 5.0667 5.0667 5.3601 5.3601 5.3851 5.3851 5.4743 5.4743 5.5087 5.5087 5.8010 5.8010 6.2080 6.2080 7.9787 7.9787 8.1624 8.1624 8.2270 8.2270 8.4490 8.4490 9.4682 9.4682 9.5229 9.5229 10.5382 10.5382 10.5619 10.5619 10.5848 10.5848 k = 0.0000 0.0000 0.2138 ( 5580 PWs) bands (ev): -27.3085 -27.3085 -27.3075 -27.3075 -10.1292 -10.1292 -10.1198 -10.1198 -9.0299 -9.0299 -9.0061 -9.0061 -8.9511 -8.9511 -8.9479 -8.9479 -1.7011 -1.7011 -1.5401 -1.5401 4.5831 4.5831 4.5838 4.5838 4.6185 4.6185 4.6562 4.6562 4.8029 4.8029 5.0394 5.0394 5.3619 5.3619 5.3807 5.3807 5.4783 5.4783 5.5044 5.5044 5.8309 5.8309 6.1350 6.1350 8.0056 8.0056 8.1928 8.1928 8.1932 8.1932 8.4093 8.4093 9.4770 9.4770 9.5189 9.5189 10.6124 10.6124 10.6370 10.6370 10.6585 10.6585 k = 0.0000 0.0000 0.2280 ( 5580 PWs) bands (ev): -27.3083 -27.3083 -27.3076 -27.3076 -10.1276 -10.1276 -10.1213 -10.1213 -9.0261 -9.0261 -9.0101 -9.0101 -8.9505 -8.9505 -8.9484 -8.9484 -1.6753 -1.6753 -1.5674 -1.5674 4.5889 4.5889 4.6002 4.6002 4.6127 4.6127 4.6469 4.6469 4.8465 4.8465 5.0078 5.0078 5.3641 5.3641 5.3766 5.3766 5.4825 5.4825 5.5000 5.5000 5.8659 5.8659 6.0680 6.0680 8.0339 8.0339 8.1592 8.1592 8.2258 8.2258 8.3704 8.3704 9.4855 9.4855 9.5139 9.5139 10.6659 10.6659 10.6927 10.6927 10.7720 10.7720 k = 0.0000 0.0000 0.2423 ( 5580 PWs) bands (ev): -27.3081 -27.3081 -27.3078 -27.3078 -10.1260 -10.1260 -10.1229 -10.1229 -9.0221 -9.0221 -9.0141 -9.0141 -8.9500 -8.9500 -8.9489 -8.9489 -1.6489 -1.6489 -1.5947 -1.5947 4.5949 4.5949 4.6068 4.6068 4.6140 4.6140 4.6370 4.6370 4.8903 4.8903 4.9720 4.9720 5.3667 5.3667 5.3729 5.3729 5.4868 5.4868 5.4956 5.4956 5.9067 5.9067 6.0075 6.0075 8.0636 8.0636 8.1264 8.1264 8.2599 8.2599 8.3324 8.3324 9.4936 9.4936 9.5080 9.5080 10.7220 10.7220 10.7519 10.7519 10.8244 10.8244 k = 0.0000 0.0000 0.2565 ( 5580 PWs) bands (ev): -27.3080 -27.3080 -27.3080 -27.3080 -10.1244 -10.1244 -10.1244 -10.1244 -9.0181 -9.0181 -9.0181 -9.0181 -8.9495 -8.9495 -8.9495 -8.9495 -1.6220 -1.6220 -1.6220 -1.6220 4.6008 4.6008 4.6008 4.6008 4.6261 4.6261 4.6261 4.6261 4.9325 4.9325 4.9325 4.9325 5.3696 5.3696 5.3696 5.3696 5.4912 5.4912 5.4912 5.4912 5.9538 5.9538 5.9538 5.9538 8.0944 8.0944 8.0944 8.0944 8.2955 8.2955 8.2955 8.2955 9.5012 9.5012 9.5012 9.5012 10.7790 10.7790 10.7790 10.7790 10.8144 10.8144 k = 0.0000 0.0000 0.2565 ( 5580 PWs) bands (ev): -27.3080 -27.3080 -27.3080 -27.3080 -10.1244 -10.1244 -10.1244 -10.1244 -9.0181 -9.0181 -9.0181 -9.0181 -8.9495 -8.9495 -8.9495 -8.9495 -1.6220 -1.6220 -1.6220 -1.6220 4.6008 4.6008 4.6008 4.6008 4.6261 4.6261 4.6261 4.6261 4.9325 4.9325 4.9325 4.9325 5.3696 5.3696 5.3696 5.3696 5.4912 5.4912 5.4912 5.4912 5.9538 5.9538 5.9538 5.9538 8.0944 8.0944 8.0944 8.0944 8.2955 8.2955 8.2955 8.2955 9.5012 9.5012 9.5012 9.5012 10.7790 10.7790 10.7790 10.7790 10.8144 10.8144 k = 0.0122 0.0070 0.2565 ( 5580 PWs) bands (ev): -27.3080 -27.3080 -27.3080 -27.3080 -10.1245 -10.1245 -10.1245 -10.1245 -9.0181 -9.0181 -9.0181 -9.0181 -8.9496 -8.9496 -8.9496 -8.9496 -1.6210 -1.6210 -1.6210 -1.6210 4.6001 4.6001 4.6001 4.6001 4.6258 4.6258 4.6258 4.6258 4.9330 4.9330 4.9330 4.9330 5.3697 5.3697 5.3697 5.3697 5.4914 5.4914 5.4914 5.4914 5.9547 5.9547 5.9547 5.9547 8.0854 8.0854 8.0854 8.0854 8.2848 8.2848 8.2848 8.2848 9.5167 9.5167 9.5167 9.5167 10.7706 10.7706 10.7706 10.7706 10.8108 10.8108 k = 0.0244 0.0141 0.2565 ( 5578 PWs) bands (ev): -27.3079 -27.3079 -27.3079 -27.3079 -10.1246 -10.1246 -10.1246 -10.1246 -9.0182 -9.0182 -9.0182 -9.0182 -8.9499 -8.9499 -8.9499 -8.9499 -1.6183 -1.6183 -1.6183 -1.6183 4.5978 4.5978 4.5978 4.5978 4.6254 4.6254 4.6254 4.6254 4.9344 4.9344 4.9344 4.9344 5.3700 5.3700 5.3700 5.3700 5.4920 5.4920 5.4920 5.4920 5.9573 5.9573 5.9573 5.9573 8.0571 8.0571 8.0571 8.0571 8.2567 8.2567 8.2567 8.2567 9.5607 9.5607 9.5607 9.5607 10.7416 10.7416 10.7416 10.7416 10.8112 10.8112 k = 0.0366 0.0211 0.2565 ( 5576 PWs) bands (ev): -27.3079 -27.3079 -27.3079 -27.3079 -10.1248 -10.1248 -10.1248 -10.1248 -9.0182 -9.0182 -9.0182 -9.0182 -8.9505 -8.9505 -8.9505 -8.9505 -1.6137 -1.6137 -1.6137 -1.6137 4.5928 4.5928 4.5928 4.5928 4.6257 4.6257 4.6257 4.6257 4.9366 4.9366 4.9366 4.9366 5.3705 5.3705 5.3705 5.3705 5.4930 5.4930 5.4930 5.4930 5.9616 5.9616 5.9616 5.9616 8.0068 8.0068 8.0068 8.0068 8.2199 8.2199 8.2199 8.2199 9.6266 9.6266 9.6266 9.6266 10.7007 10.7007 10.7007 10.7007 10.8188 10.8188 k = 0.0488 0.0282 0.2565 ( 5568 PWs) bands (ev): -27.3078 -27.3078 -27.3078 -27.3078 -10.1251 -10.1251 -10.1251 -10.1251 -9.0182 -9.0182 -9.0182 -9.0182 -8.9513 -8.9513 -8.9513 -8.9513 -1.6073 -1.6073 -1.6073 -1.6073 4.5849 4.5849 4.5849 4.5849 4.6272 4.6272 4.6272 4.6272 4.9395 4.9395 4.9395 4.9395 5.3713 5.3713 5.3713 5.3713 5.4944 5.4944 5.4944 5.4944 5.9677 5.9677 5.9677 5.9677 7.9344 7.9344 7.9344 7.9344 8.1813 8.1813 8.1813 8.1813 9.7061 9.7061 9.7061 9.7061 10.6577 10.6577 10.6577 10.6577 10.8312 10.8312 k = 0.0610 0.0352 0.2565 ( 5556 PWs) bands (ev): -27.3078 -27.3078 -27.3078 -27.3078 -10.1255 -10.1255 -10.1255 -10.1255 -9.0183 -9.0183 -9.0183 -9.0183 -8.9523 -8.9523 -8.9523 -8.9523 -1.5991 -1.5991 -1.5991 -1.5991 4.5739 4.5739 4.5739 4.5739 4.6302 4.6302 4.6302 4.6302 4.9430 4.9430 4.9430 4.9430 5.3722 5.3722 5.3722 5.3722 5.4962 5.4962 5.4962 5.4962 5.9755 5.9755 5.9755 5.9755 7.8443 7.8443 7.8443 7.8443 8.1427 8.1427 8.1427 8.1427 9.7910 9.7910 9.7910 9.7910 10.6189 10.6189 10.6189 10.6189 10.8477 10.8477 k = 0.0732 0.0422 0.2565 ( 5544 PWs) bands (ev): -27.3077 -27.3077 -27.3077 -27.3077 -10.1259 -10.1259 -10.1259 -10.1259 -9.0184 -9.0184 -9.0184 -9.0184 -8.9535 -8.9535 -8.9535 -8.9535 -1.5891 -1.5891 -1.5891 -1.5891 4.5601 4.5601 4.5601 4.5601 4.6345 4.6345 4.6345 4.6345 4.9469 4.9469 4.9469 4.9469 5.3733 5.3733 5.3733 5.3733 5.4984 5.4984 5.4984 5.4984 5.9851 5.9851 5.9851 5.9851 7.7422 7.7422 7.7422 7.7422 8.1032 8.1032 8.1032 8.1032 9.8726 9.8726 9.8726 9.8726 10.5900 10.5900 10.5900 10.5900 10.8677 10.8677 k = 0.0854 0.0493 0.2565 ( 5544 PWs) bands (ev): -27.3076 -27.3076 -27.3076 -27.3076 -10.1264 -10.1264 -10.1264 -10.1264 -9.0185 -9.0185 -9.0185 -9.0185 -8.9549 -8.9549 -8.9549 -8.9549 -1.5774 -1.5774 -1.5774 -1.5774 4.5437 4.5437 4.5437 4.5437 4.6399 4.6399 4.6399 4.6399 4.9512 4.9512 4.9512 4.9512 5.3744 5.3744 5.3744 5.3744 5.5008 5.5008 5.5008 5.5008 5.9964 5.9964 5.9964 5.9964 7.6327 7.6327 7.6327 7.6327 8.0616 8.0616 8.0616 8.0616 9.9409 9.9409 9.9409 9.9409 10.5784 10.5784 10.5784 10.5784 10.8911 10.8911 k = 0.0976 0.0563 0.2565 ( 5546 PWs) bands (ev): -27.3075 -27.3075 -27.3075 -27.3075 -10.1270 -10.1270 -10.1270 -10.1270 -9.0187 -9.0187 -9.0187 -9.0187 -8.9564 -8.9564 -8.9564 -8.9564 -1.5640 -1.5640 -1.5640 -1.5640 4.5250 4.5250 4.5250 4.5250 4.6462 4.6462 4.6462 4.6462 4.9556 4.9556 4.9556 4.9556 5.3756 5.3756 5.3756 5.3756 5.5035 5.5035 5.5035 5.5035 6.0094 6.0094 6.0094 6.0094 7.5191 7.5191 7.5191 7.5191 8.0175 8.0175 8.0175 8.0175 9.9859 9.9859 9.9859 9.9859 10.5920 10.5920 10.5920 10.5920 10.9177 10.9177 k = 0.1098 0.0634 0.2565 ( 5542 PWs) bands (ev): -27.3074 -27.3074 -27.3074 -27.3074 -10.1277 -10.1277 -10.1277 -10.1277 -9.0189 -9.0189 -9.0189 -9.0189 -8.9582 -8.9582 -8.9582 -8.9582 -1.5489 -1.5489 -1.5489 -1.5489 4.5040 4.5040 4.5040 4.5040 4.6536 4.6536 4.6536 4.6536 4.9601 4.9601 4.9601 4.9601 5.3768 5.3768 5.3768 5.3768 5.5064 5.5064 5.5064 5.5064 6.0240 6.0240 6.0240 6.0240 7.4037 7.4037 7.4037 7.4037 7.9707 7.9707 7.9707 7.9707 10.0016 10.0016 10.0016 10.0016 10.6342 10.6342 10.6342 10.6342 10.9470 10.9470 k = 0.1220 0.0704 0.2565 ( 5550 PWs) bands (ev): -27.3073 -27.3073 -27.3073 -27.3073 -10.1284 -10.1284 -10.1284 -10.1284 -9.0191 -9.0191 -9.0191 -9.0191 -8.9600 -8.9600 -8.9600 -8.9600 -1.5322 -1.5322 -1.5322 -1.5322 4.4810 4.4810 4.4810 4.4810 4.6619 4.6619 4.6619 4.6619 4.9646 4.9646 4.9646 4.9646 5.3781 5.3781 5.3781 5.3781 5.5095 5.5095 5.5095 5.5095 6.0402 6.0402 6.0402 6.0402 7.2883 7.2883 7.2883 7.2883 7.9213 7.9213 7.9213 7.9213 9.9906 9.9906 9.9906 9.9906 10.6995 10.6995 10.6995 10.6995 10.9784 10.9784 k = 0.1341 0.0774 0.2565 ( 5546 PWs) bands (ev): -27.3071 -27.3071 -27.3071 -27.3071 -10.1292 -10.1292 -10.1292 -10.1292 -9.0193 -9.0193 -9.0193 -9.0193 -8.9620 -8.9620 -8.9620 -8.9620 -1.5140 -1.5140 -1.5140 -1.5140 4.4558 4.4558 4.4558 4.4558 4.6710 4.6710 4.6710 4.6710 4.9689 4.9689 4.9689 4.9689 5.3793 5.3793 5.3793 5.3793 5.5128 5.5128 5.5128 5.5128 6.0578 6.0578 6.0578 6.0578 7.1741 7.1741 7.1741 7.1741 7.8696 7.8696 7.8696 7.8696 9.9602 9.9602 9.9602 9.9602 10.7738 10.7738 10.7738 10.7738 11.0084 11.0084 k = 0.1463 0.0845 0.2565 ( 5544 PWs) bands (ev): -27.3070 -27.3070 -27.3070 -27.3070 -10.1300 -10.1300 -10.1300 -10.1300 -9.0197 -9.0197 -9.0197 -9.0197 -8.9641 -8.9641 -8.9641 -8.9641 -1.4943 -1.4943 -1.4943 -1.4943 4.4287 4.4287 4.4287 4.4287 4.6810 4.6810 4.6810 4.6810 4.9730 4.9730 4.9730 4.9730 5.3805 5.3805 5.3805 5.3805 5.5162 5.5162 5.5162 5.5162 6.0764 6.0764 6.0764 6.0764 7.0624 7.0624 7.0624 7.0624 7.8159 7.8159 7.8159 7.8159 9.9173 9.9173 9.9173 9.9173 10.8308 10.8308 10.8308 10.8308 11.0296 11.0296 k = 0.1585 0.0915 0.2565 ( 5544 PWs) bands (ev): -27.3068 -27.3068 -27.3068 -27.3068 -10.1309 -10.1309 -10.1309 -10.1309 -9.0201 -9.0201 -9.0201 -9.0201 -8.9662 -8.9662 -8.9662 -8.9662 -1.4731 -1.4731 -1.4731 -1.4731 4.3996 4.3996 4.3996 4.3996 4.6918 4.6918 4.6918 4.6918 4.9769 4.9769 4.9769 4.9769 5.3817 5.3817 5.3817 5.3817 5.5196 5.5196 5.5196 5.5196 6.0958 6.0958 6.0958 6.0958 6.9542 6.9542 6.9542 6.9542 7.7605 7.7605 7.7605 7.7605 9.8665 9.8665 9.8665 9.8665 10.8382 10.8382 10.8382 10.8382 11.0757 11.0757 k = 0.1707 0.0986 0.2565 ( 5544 PWs) bands (ev): -27.3066 -27.3066 -27.3066 -27.3066 -10.1319 -10.1319 -10.1319 -10.1319 -9.0205 -9.0205 -9.0205 -9.0205 -8.9684 -8.9684 -8.9684 -8.9684 -1.4507 -1.4507 -1.4507 -1.4507 4.3684 4.3684 4.3684 4.3684 4.7034 4.7034 4.7034 4.7034 4.9805 4.9805 4.9805 4.9805 5.3828 5.3828 5.3828 5.3828 5.5230 5.5230 5.5230 5.5230 6.1152 6.1152 6.1152 6.1152 6.8509 6.8509 6.8509 6.8509 7.7038 7.7038 7.7038 7.7038 9.8108 9.8108 9.8108 9.8108 10.8094 10.8094 10.8094 10.8094 11.1329 11.1329 k = 0.1829 0.1056 0.2565 ( 5544 PWs) bands (ev): -27.3065 -27.3065 -27.3065 -27.3065 -10.1329 -10.1329 -10.1329 -10.1329 -9.0210 -9.0210 -9.0210 -9.0210 -8.9706 -8.9706 -8.9706 -8.9706 -1.4269 -1.4269 -1.4269 -1.4269 4.3354 4.3354 4.3354 4.3354 4.7157 4.7157 4.7157 4.7157 4.9838 4.9838 4.9838 4.9838 5.3838 5.3838 5.3838 5.3838 5.5264 5.5264 5.5264 5.5264 6.1336 6.1336 6.1336 6.1336 6.7539 6.7539 6.7539 6.7539 7.6460 7.6460 7.6460 7.6460 9.7519 9.7519 9.7519 9.7519 10.7687 10.7687 10.7687 10.7687 11.1828 11.1828 k = 0.1951 0.1127 0.2565 ( 5546 PWs) bands (ev): -27.3063 -27.3063 -27.3063 -27.3063 -10.1339 -10.1339 -10.1339 -10.1339 -9.0217 -9.0217 -9.0217 -9.0217 -8.9728 -8.9728 -8.9728 -8.9728 -1.4020 -1.4020 -1.4020 -1.4020 4.3004 4.3004 4.3004 4.3004 4.7287 4.7287 4.7287 4.7287 4.9867 4.9867 4.9867 4.9867 5.3847 5.3847 5.3847 5.3847 5.5297 5.5297 5.5297 5.5297 6.1487 6.1487 6.1487 6.1487 6.6657 6.6657 6.6657 6.6657 7.5876 7.5876 7.5876 7.5876 9.6911 9.6911 9.6911 9.6911 10.7247 10.7247 10.7247 10.7247 11.2326 11.2326 k = 0.2073 0.1197 0.2565 ( 5538 PWs) bands (ev): -27.3061 -27.3061 -27.3061 -27.3061 -10.1350 -10.1350 -10.1350 -10.1350 -9.0224 -9.0224 -9.0224 -9.0224 -8.9749 -8.9749 -8.9749 -8.9749 -1.3761 -1.3761 -1.3761 -1.3761 4.2635 4.2635 4.2635 4.2635 4.7425 4.7425 4.7425 4.7425 4.9893 4.9893 4.9893 4.9893 5.3856 5.3856 5.3856 5.3856 5.5329 5.5329 5.5329 5.5329 6.1573 6.1573 6.1573 6.1573 6.5900 6.5900 6.5900 6.5900 7.5288 7.5288 7.5288 7.5288 9.6293 9.6293 9.6293 9.6293 10.6802 10.6802 10.6802 10.6802 11.2840 11.2840 k = 0.2195 0.1267 0.2565 ( 5550 PWs) bands (ev): -27.3059 -27.3059 -27.3059 -27.3059 -10.1361 -10.1361 -10.1361 -10.1361 -9.0233 -9.0233 -9.0233 -9.0233 -8.9770 -8.9770 -8.9770 -8.9770 -1.3492 -1.3492 -1.3492 -1.3492 4.2247 4.2247 4.2247 4.2247 4.7568 4.7568 4.7568 4.7568 4.9915 4.9915 4.9915 4.9915 5.3863 5.3863 5.3863 5.3863 5.5359 5.5359 5.5359 5.5359 6.1542 6.1542 6.1542 6.1542 6.5320 6.5320 6.5320 6.5320 7.4699 7.4699 7.4699 7.4699 9.5672 9.5672 9.5672 9.5672 10.6361 10.6361 10.6361 10.6361 11.3374 11.3374 k = 0.2317 0.1338 0.2565 ( 5540 PWs) bands (ev): -27.3057 -27.3057 -27.3057 -27.3057 -10.1372 -10.1372 -10.1372 -10.1372 -9.0242 -9.0242 -9.0242 -9.0242 -8.9790 -8.9790 -8.9790 -8.9790 -1.3215 -1.3215 -1.3215 -1.3215 4.1842 4.1842 4.1842 4.1842 4.7717 4.7717 4.7717 4.7717 4.9935 4.9935 4.9935 4.9935 5.3870 5.3870 5.3870 5.3870 5.5387 5.5387 5.5387 5.5387 6.1342 6.1342 6.1342 6.1342 6.4974 6.4974 6.4974 6.4974 7.4113 7.4113 7.4113 7.4113 9.5054 9.5054 9.5054 9.5054 10.5928 10.5928 10.5928 10.5928 11.3929 11.3929 k = 0.2439 0.1408 0.2565 ( 5548 PWs) bands (ev): -27.3055 -27.3055 -27.3055 -27.3055 -10.1384 -10.1384 -10.1384 -10.1384 -9.0253 -9.0253 -9.0253 -9.0253 -8.9809 -8.9809 -8.9809 -8.9809 -1.2931 -1.2931 -1.2931 -1.2931 4.1419 4.1419 4.1419 4.1419 4.7870 4.7870 4.7870 4.7870 4.9950 4.9950 4.9950 4.9950 5.3876 5.3876 5.3876 5.3876 5.5414 5.5414 5.5414 5.5414 6.0966 6.0966 6.0966 6.0966 6.4865 6.4865 6.4865 6.4865 7.3531 7.3531 7.3531 7.3531 9.4443 9.4443 9.4443 9.4443 10.5502 10.5502 10.5502 10.5502 11.4505 11.4505 k = 0.2561 0.1479 0.2565 ( 5548 PWs) bands (ev): -27.3053 -27.3053 -27.3053 -27.3053 -10.1395 -10.1395 -10.1395 -10.1395 -9.0266 -9.0266 -9.0266 -9.0266 -8.9826 -8.9826 -8.9826 -8.9826 -1.2641 -1.2641 -1.2641 -1.2641 4.0982 4.0982 4.0982 4.0982 4.8029 4.8029 4.8029 4.8029 4.9963 4.9963 4.9963 4.9963 5.3880 5.3880 5.3880 5.3880 5.5437 5.5437 5.5437 5.5437 6.0467 6.0467 6.0467 6.0467 6.4943 6.4943 6.4943 6.4943 7.2957 7.2957 7.2957 7.2957 9.3844 9.3844 9.3844 9.3844 10.5083 10.5083 10.5083 10.5083 11.5100 11.5100 k = 0.2683 0.1549 0.2565 ( 5540 PWs) bands (ev): -27.3051 -27.3051 -27.3051 -27.3051 -10.1407 -10.1407 -10.1407 -10.1407 -9.0279 -9.0279 -9.0279 -9.0279 -8.9842 -8.9842 -8.9842 -8.9842 -1.2346 -1.2346 -1.2346 -1.2346 4.0531 4.0531 4.0531 4.0531 4.8191 4.8191 4.8191 4.8191 4.9973 4.9973 4.9973 4.9973 5.3884 5.3884 5.3884 5.3884 5.5459 5.5459 5.5459 5.5459 5.9908 5.9908 5.9908 5.9908 6.5142 6.5142 6.5142 6.5142 7.2394 7.2394 7.2394 7.2394 9.3260 9.3260 9.3260 9.3260 10.4669 10.4669 10.4669 10.4669 11.5714 11.5714 k = 0.2805 0.1619 0.2565 ( 5544 PWs) bands (ev): -27.3050 -27.3050 -27.3050 -27.3050 -10.1419 -10.1419 -10.1419 -10.1419 -9.0294 -9.0294 -9.0294 -9.0294 -8.9856 -8.9856 -8.9856 -8.9856 -1.2050 -1.2050 -1.2050 -1.2050 4.0068 4.0068 4.0068 4.0068 4.8355 4.8355 4.8355 4.8355 4.9981 4.9981 4.9981 4.9981 5.3887 5.3887 5.3887 5.3887 5.5477 5.5477 5.5477 5.5477 5.9337 5.9337 5.9337 5.9337 6.5412 6.5412 6.5412 6.5412 7.1844 7.1844 7.1844 7.1844 9.2693 9.2693 9.2693 9.2693 10.4259 10.4259 10.4259 10.4259 11.6345 11.6345 k = 0.2927 0.1690 0.2565 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3048 -27.3048 -10.1430 -10.1430 -10.1430 -10.1430 -9.0310 -9.0310 -9.0310 -9.0310 -8.9869 -8.9869 -8.9869 -8.9869 -1.1752 -1.1752 -1.1752 -1.1752 3.9597 3.9597 3.9597 3.9597 4.8521 4.8521 4.8521 4.8521 4.9986 4.9986 4.9986 4.9986 5.3888 5.3888 5.3888 5.3888 5.5492 5.5492 5.5492 5.5492 5.8779 5.8779 5.8779 5.8779 6.5723 6.5723 6.5723 6.5723 7.1312 7.1312 7.1312 7.1312 9.2147 9.2147 9.2147 9.2147 10.3851 10.3851 10.3851 10.3851 11.6994 11.6994 k = 0.3049 0.1760 0.2565 ( 5554 PWs) bands (ev): -27.3046 -27.3046 -27.3046 -27.3046 -10.1441 -10.1441 -10.1441 -10.1441 -9.0326 -9.0326 -9.0326 -9.0326 -8.9880 -8.9880 -8.9880 -8.9880 -1.1455 -1.1455 -1.1455 -1.1455 3.9121 3.9121 3.9121 3.9121 4.8687 4.8687 4.8687 4.8687 4.9991 4.9991 4.9991 4.9991 5.3889 5.3889 5.3889 5.3889 5.5503 5.5503 5.5503 5.5503 5.8250 5.8250 5.8250 5.8250 6.6056 6.6056 6.6056 6.6056 7.0804 7.0804 7.0804 7.0804 9.1624 9.1624 9.1624 9.1624 10.3444 10.3444 10.3444 10.3444 11.7657 11.7657 k = 0.3171 0.1831 0.2565 ( 5554 PWs) bands (ev): -27.3044 -27.3044 -27.3044 -27.3044 -10.1453 -10.1453 -10.1453 -10.1453 -9.0343 -9.0343 -9.0343 -9.0343 -8.9889 -8.9889 -8.9889 -8.9889 -1.1161 -1.1161 -1.1161 -1.1161 3.8643 3.8643 3.8643 3.8643 4.8851 4.8851 4.8851 4.8851 4.9996 4.9996 4.9996 4.9996 5.3889 5.3889 5.3889 5.3889 5.5510 5.5510 5.5510 5.5510 5.7759 5.7759 5.7759 5.7759 6.6394 6.6394 6.6394 6.6394 7.0325 7.0325 7.0325 7.0325 9.1125 9.1125 9.1125 9.1125 10.3040 10.3040 10.3040 10.3040 11.8334 11.8334 k = 0.3293 0.1901 0.2565 ( 5546 PWs) bands (ev): -27.3042 -27.3042 -27.3042 -27.3042 -10.1463 -10.1463 -10.1463 -10.1463 -9.0361 -9.0361 -9.0361 -9.0361 -8.9897 -8.9897 -8.9897 -8.9897 -1.0871 -1.0871 -1.0871 -1.0871 3.8167 3.8167 3.8167 3.8167 4.9011 4.9011 4.9011 4.9011 5.0003 5.0003 5.0003 5.0003 5.3887 5.3887 5.3887 5.3887 5.5510 5.5510 5.5510 5.5510 5.7311 5.7311 5.7311 5.7311 6.6717 6.6717 6.6717 6.6717 6.9889 6.9889 6.9889 6.9889 9.0652 9.0652 9.0652 9.0652 10.2638 10.2638 10.2638 10.2638 11.9023 11.9023 k = 0.3415 0.1971 0.2565 ( 5542 PWs) bands (ev): -27.3041 -27.3041 -27.3041 -27.3041 -10.1474 -10.1474 -10.1474 -10.1474 -9.0378 -9.0378 -9.0378 -9.0378 -8.9904 -8.9904 -8.9904 -8.9904 -1.0588 -1.0588 -1.0588 -1.0588 3.7698 3.7698 3.7698 3.7698 4.9165 4.9165 4.9165 4.9165 5.0013 5.0013 5.0013 5.0013 5.3885 5.3885 5.3885 5.3885 5.5500 5.5500 5.5500 5.5500 5.6912 5.6912 5.6912 5.6912 6.7000 6.7000 6.7000 6.7000 6.9519 6.9519 6.9519 6.9519 9.0207 9.0207 9.0207 9.0207 10.2239 10.2239 10.2239 10.2239 11.9722 11.9722 k = 0.3537 0.2042 0.2565 ( 5554 PWs) bands (ev): -27.3039 -27.3039 -27.3039 -27.3039 -10.1483 -10.1483 -10.1483 -10.1483 -9.0396 -9.0396 -9.0396 -9.0396 -8.9910 -8.9910 -8.9910 -8.9910 -1.0314 -1.0314 -1.0314 -1.0314 3.7240 3.7240 3.7240 3.7240 4.9306 4.9306 4.9306 4.9306 5.0029 5.0029 5.0029 5.0029 5.3881 5.3881 5.3881 5.3881 5.5474 5.5474 5.5474 5.5474 5.6567 5.6567 5.6567 5.6567 6.7198 6.7198 6.7198 6.7198 6.9254 6.9254 6.9254 6.9254 8.9791 8.9791 8.9791 8.9791 10.1847 10.1847 10.1847 10.1847 12.0428 12.0428 k = 0.3659 0.2112 0.2565 ( 5558 PWs) bands (ev): -27.3038 -27.3038 -27.3038 -27.3038 -10.1493 -10.1493 -10.1493 -10.1493 -9.0413 -9.0413 -9.0413 -9.0413 -8.9915 -8.9915 -8.9915 -8.9915 -1.0050 -1.0050 -1.0050 -1.0050 3.6797 3.6797 3.6797 3.6797 4.9431 4.9431 4.9431 4.9431 5.0057 5.0057 5.0057 5.0057 5.3875 5.3875 5.3875 5.3875 5.5424 5.5424 5.5424 5.5424 5.6286 5.6286 5.6286 5.6286 6.7254 6.7254 6.7254 6.7254 6.9149 6.9149 6.9149 6.9149 8.9405 8.9405 8.9405 8.9405 10.1463 10.1463 10.1463 10.1463 12.1140 12.1140 k = 0.3780 0.2183 0.2565 ( 5550 PWs) bands (ev): -27.3036 -27.3036 -27.3036 -27.3036 -10.1502 -10.1502 -10.1502 -10.1502 -9.0429 -9.0429 -9.0429 -9.0429 -8.9919 -8.9919 -8.9919 -8.9919 -0.9800 -0.9800 -0.9800 -0.9800 3.6374 3.6374 3.6374 3.6374 4.9533 4.9533 4.9533 4.9533 5.0100 5.0100 5.0100 5.0100 5.3868 5.3868 5.3868 5.3868 5.5337 5.5337 5.5337 5.5337 5.6081 5.6081 5.6081 5.6081 6.7151 6.7151 6.7151 6.7151 6.9218 6.9218 6.9218 6.9218 8.9049 8.9049 8.9049 8.9049 10.1091 10.1091 10.1091 10.1091 12.1855 12.1855 k = 0.3902 0.2253 0.2565 ( 5550 PWs) bands (ev): -27.3035 -27.3035 -27.3035 -27.3035 -10.1510 -10.1510 -10.1510 -10.1510 -9.0444 -9.0444 -9.0444 -9.0444 -8.9922 -8.9922 -8.9922 -8.9922 -0.9565 -0.9565 -0.9565 -0.9565 3.5976 3.5976 3.5976 3.5976 4.9608 4.9608 4.9608 4.9608 5.0162 5.0162 5.0162 5.0162 5.3859 5.3859 5.3859 5.3859 5.5212 5.5212 5.5212 5.5212 5.5951 5.5951 5.5951 5.5951 6.6943 6.6943 6.6943 6.6943 6.9405 6.9405 6.9405 6.9405 8.8725 8.8725 8.8725 8.8725 10.0736 10.0736 10.0736 10.0736 12.2568 12.2568 k = 0.4024 0.2323 0.2565 ( 5548 PWs) bands (ev): -27.3034 -27.3034 -27.3034 -27.3034 -10.1517 -10.1517 -10.1517 -10.1517 -9.0459 -9.0459 -9.0459 -9.0459 -8.9925 -8.9925 -8.9925 -8.9925 -0.9348 -0.9348 -0.9348 -0.9348 3.5606 3.5606 3.5606 3.5606 4.9658 4.9658 4.9658 4.9658 5.0240 5.0240 5.0240 5.0240 5.3848 5.3848 5.3848 5.3848 5.5067 5.5067 5.5067 5.5067 5.5878 5.5878 5.5878 5.5878 6.6692 6.6692 6.6692 6.6692 6.9645 6.9645 6.9645 6.9645 8.8433 8.8433 8.8433 8.8433 10.0401 10.0401 10.0401 10.0401 12.3277 12.3277 k = 0.4146 0.2394 0.2565 ( 5552 PWs) bands (ev): -27.3033 -27.3033 -27.3033 -27.3033 -10.1524 -10.1524 -10.1524 -10.1524 -9.0472 -9.0472 -9.0472 -9.0472 -8.9927 -8.9927 -8.9927 -8.9927 -0.9150 -0.9150 -0.9150 -0.9150 3.5269 3.5269 3.5269 3.5269 4.9688 4.9688 4.9688 4.9688 5.0325 5.0325 5.0325 5.0325 5.3835 5.3835 5.3835 5.3835 5.4924 5.4924 5.4924 5.4924 5.5837 5.5837 5.5837 5.5837 6.6435 6.6435 6.6435 6.6435 6.9899 6.9899 6.9899 6.9899 8.8174 8.8174 8.8174 8.8174 10.0090 10.0090 10.0090 10.0090 12.3977 12.3977 k = 0.4268 0.2464 0.2565 ( 5560 PWs) bands (ev): -27.3032 -27.3032 -27.3032 -27.3032 -10.1530 -10.1530 -10.1530 -10.1530 -9.0483 -9.0483 -9.0483 -9.0483 -8.9928 -8.9928 -8.9928 -8.9928 -0.8974 -0.8974 -0.8974 -0.8974 3.4969 3.4969 3.4969 3.4969 4.9705 4.9705 4.9705 4.9705 5.0410 5.0410 5.0410 5.0410 5.3821 5.3821 5.3821 5.3821 5.4795 5.4795 5.4795 5.4795 5.5814 5.5814 5.5814 5.5814 6.6193 6.6193 6.6193 6.6193 7.0144 7.0144 7.0144 7.0144 8.7948 8.7948 8.7948 8.7948 9.9809 9.9809 9.9809 9.9809 12.4660 12.4660 k = 0.4390 0.2535 0.2565 ( 5544 PWs) bands (ev): -27.3031 -27.3031 -27.3031 -27.3031 -10.1535 -10.1535 -10.1535 -10.1535 -9.0493 -9.0493 -9.0493 -9.0493 -8.9930 -8.9930 -8.9930 -8.9930 -0.8821 -0.8821 -0.8821 -0.8821 3.4709 3.4709 3.4709 3.4709 4.9715 4.9715 4.9715 4.9715 5.0490 5.0490 5.0490 5.0490 5.3806 5.3806 5.3806 5.3806 5.4689 5.4689 5.4689 5.4689 5.5800 5.5800 5.5800 5.5800 6.5976 6.5976 6.5976 6.5976 7.0368 7.0368 7.0368 7.0368 8.7756 8.7756 8.7756 8.7756 9.9562 9.9562 9.9562 9.9562 12.5319 12.5319 k = 0.4512 0.2605 0.2565 ( 5542 PWs) bands (ev): -27.3030 -27.3030 -27.3030 -27.3030 -10.1539 -10.1539 -10.1539 -10.1539 -9.0501 -9.0501 -9.0501 -9.0501 -8.9931 -8.9931 -8.9931 -8.9931 -0.8694 -0.8694 -0.8694 -0.8694 3.4492 3.4492 3.4492 3.4492 4.9720 4.9720 4.9720 4.9720 5.0558 5.0558 5.0558 5.0558 5.3791 5.3791 5.3791 5.3791 5.4604 5.4604 5.4604 5.4604 5.5792 5.5792 5.5792 5.5792 6.5792 6.5792 6.5792 6.5792 7.0560 7.0560 7.0560 7.0560 8.7598 8.7598 8.7598 8.7598 9.9353 9.9353 9.9353 9.9353 12.5939 12.5939 k = 0.4634 0.2676 0.2565 ( 5550 PWs) bands (ev): -27.3030 -27.3030 -27.3030 -27.3030 -10.1542 -10.1542 -10.1542 -10.1542 -9.0508 -9.0508 -9.0508 -9.0508 -8.9932 -8.9932 -8.9932 -8.9932 -0.8593 -0.8593 -0.8593 -0.8593 3.4320 3.4320 3.4320 3.4320 4.9722 4.9722 4.9722 4.9722 5.0614 5.0614 5.0614 5.0614 5.3778 5.3778 5.3778 5.3778 5.4541 5.4541 5.4541 5.4541 5.5787 5.5787 5.5787 5.5787 6.5645 6.5645 6.5645 6.5645 7.0716 7.0716 7.0716 7.0716 8.7475 8.7475 8.7475 8.7475 9.9187 9.9187 9.9187 9.9187 12.6501 12.6501 k = 0.4756 0.2746 0.2565 ( 5554 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1545 -10.1545 -10.1545 -10.1545 -9.0513 -9.0513 -9.0513 -9.0513 -8.9932 -8.9932 -8.9932 -8.9932 -0.8521 -0.8521 -0.8521 -0.8521 3.4196 3.4196 3.4196 3.4196 4.9723 4.9723 4.9723 4.9723 5.0655 5.0655 5.0655 5.0655 5.3767 5.3767 5.3767 5.3767 5.4497 5.4497 5.4497 5.4497 5.5784 5.5784 5.5784 5.5784 6.5537 6.5537 6.5537 6.5537 7.0831 7.0831 7.0831 7.0831 8.7387 8.7387 8.7387 8.7387 9.9065 9.9065 9.9065 9.9065 12.6971 12.6971 k = 0.4878 0.2816 0.2565 ( 5540 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1546 -10.1546 -10.1546 -10.1546 -9.0515 -9.0515 -9.0515 -9.0515 -8.9932 -8.9932 -8.9932 -8.9932 -0.8477 -0.8477 -0.8477 -0.8477 3.4120 3.4120 3.4120 3.4120 4.9724 4.9724 4.9724 4.9724 5.0680 5.0680 5.0680 5.0680 5.3760 5.3760 5.3760 5.3760 5.4472 5.4472 5.4472 5.4472 5.5782 5.5782 5.5782 5.5782 6.5472 6.5472 6.5472 6.5472 7.0901 7.0901 7.0901 7.0901 8.7334 8.7334 8.7334 8.7334 9.8991 9.8991 9.8991 9.8991 12.7295 12.7295 k = 0.5000 0.2887 0.2565 ( 5540 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1547 -10.1547 -10.1547 -10.1547 -9.0516 -9.0516 -9.0516 -9.0516 -8.9932 -8.9932 -8.9932 -8.9932 -0.8462 -0.8462 -0.8462 -0.8462 3.4095 3.4095 3.4095 3.4095 4.9724 4.9724 4.9724 4.9724 5.0688 5.0688 5.0688 5.0688 5.3757 5.3757 5.3757 5.3757 5.4464 5.4464 5.4464 5.4464 5.5782 5.5782 5.5782 5.5782 6.5450 6.5450 6.5450 6.5450 7.0924 7.0924 7.0924 7.0924 8.7316 8.7316 8.7316 8.7316 9.8966 9.8966 9.8966 9.8966 12.7414 12.7414 k = 0.5000 0.2887 0.2565 ( 5540 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1547 -10.1547 -10.1547 -10.1547 -9.0516 -9.0516 -9.0516 -9.0516 -8.9932 -8.9932 -8.9932 -8.9932 -0.8462 -0.8462 -0.8462 -0.8462 3.4095 3.4095 3.4095 3.4095 4.9724 4.9724 4.9724 4.9724 5.0688 5.0688 5.0688 5.0688 5.3757 5.3757 5.3757 5.3757 5.4464 5.4464 5.4464 5.4464 5.5782 5.5782 5.5782 5.5782 6.5450 6.5450 6.5450 6.5450 7.0924 7.0924 7.0924 7.0924 8.7316 8.7316 8.7316 8.7316 9.8966 9.8966 9.8966 9.8966 12.7414 12.7414 k = 0.4931 0.3007 0.2565 ( 5544 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1547 -10.1547 -10.1546 -10.1546 -9.0517 -9.0517 -9.0515 -9.0515 -8.9934 -8.9934 -8.9933 -8.9933 -0.8461 -0.8461 -0.8455 -0.8455 3.4076 3.4076 3.4132 3.4132 4.9689 4.9689 4.9751 4.9751 5.0676 5.0676 5.0705 5.0705 5.3700 5.3700 5.3811 5.3811 5.4432 5.4432 5.4490 5.4490 5.5773 5.5773 5.5789 5.5789 6.5361 6.5361 6.5417 6.5417 7.0905 7.0905 7.0947 7.0947 8.7318 8.7318 8.7351 8.7351 9.9033 9.9033 9.9074 9.9074 12.7299 12.7310 k = 0.4861 0.3127 0.2565 ( 5536 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1548 -10.1548 -10.1546 -10.1546 -9.0516 -9.0516 -9.0513 -9.0513 -8.9936 -8.9936 -8.9935 -8.9935 -0.8452 -0.8452 -0.8440 -0.8440 3.4073 3.4073 3.4186 3.4186 4.9648 4.9648 4.9770 4.9770 5.0671 5.0671 5.0726 5.0726 5.3639 5.3639 5.3862 5.3862 5.4393 5.4393 5.4510 5.4510 5.5763 5.5763 5.5795 5.5795 6.5156 6.5156 6.5261 6.5261 7.0889 7.0889 7.0971 7.0971 8.7356 8.7356 8.7420 8.7420 9.9273 9.9273 9.9355 9.9355 12.7007 12.7010 k = 0.4792 0.3248 0.2565 ( 5552 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1549 -10.1549 -10.1546 -10.1546 -9.0515 -9.0515 -9.0510 -9.0510 -8.9941 -8.9941 -8.9939 -8.9939 -0.8436 -0.8436 -0.8417 -0.8417 3.4087 3.4087 3.4258 3.4258 4.9601 4.9601 4.9779 4.9779 5.0671 5.0671 5.0750 5.0750 5.3572 5.3572 5.3908 5.3908 5.4348 5.4348 5.4524 5.4524 5.5750 5.5750 5.5800 5.5800 6.4844 6.4844 6.4989 6.4989 7.0879 7.0879 7.0997 7.0997 8.7425 8.7425 8.7518 8.7518 9.9680 9.9680 9.9803 9.9803 12.6595 12.6640 k = 0.4722 0.3368 0.2565 ( 5554 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1550 -10.1550 -10.1546 -10.1546 -9.0512 -9.0512 -9.0507 -9.0507 -8.9947 -8.9947 -8.9945 -8.9945 -0.8412 -0.8412 -0.8387 -0.8387 3.4117 3.4117 3.4346 3.4346 4.9551 4.9551 4.9777 4.9777 5.0677 5.0677 5.0778 5.0778 5.3502 5.3502 5.3952 5.3952 5.4297 5.4297 5.4534 5.4534 5.5736 5.5736 5.5803 5.5803 6.4439 6.4439 6.4611 6.4611 7.0878 7.0878 7.1028 7.1028 8.7520 8.7520 8.7637 8.7637 10.0249 10.0249 10.0412 10.0412 12.6113 12.6114 k = 0.4653 0.3488 0.2565 ( 5550 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1552 -10.1552 -10.1547 -10.1547 -9.0509 -9.0509 -9.0502 -9.0502 -8.9955 -8.9955 -8.9953 -8.9953 -0.8380 -0.8380 -0.8349 -0.8349 3.4162 3.4162 3.4452 3.4452 4.9499 4.9499 4.9766 4.9766 5.0687 5.0687 5.0807 5.0807 5.3425 5.3425 5.3992 5.3992 5.4239 5.4239 5.4539 5.4539 5.5720 5.5720 5.5806 5.5806 6.3956 6.3956 6.4139 6.4139 7.0887 7.0887 7.1064 7.1064 8.7634 8.7634 8.7773 8.7773 10.0969 10.0969 10.1171 10.1171 12.5594 12.5594 k = 0.4583 0.3608 0.2565 ( 5556 PWs) bands (ev): -27.3028 -27.3028 -27.3028 -27.3028 -10.1553 -10.1553 -10.1547 -10.1547 -9.0505 -9.0505 -9.0496 -9.0496 -8.9965 -8.9965 -8.9962 -8.9962 -0.8342 -0.8342 -0.8305 -0.8305 3.4220 3.4220 3.4573 3.4573 4.9446 4.9446 4.9745 4.9745 5.0701 5.0701 5.0837 5.0837 5.3341 5.3341 5.4027 5.4027 5.4176 5.4176 5.4539 5.4539 5.5701 5.5701 5.5808 5.5808 6.3415 6.3415 6.3592 6.3592 7.0907 7.0907 7.1106 7.1106 8.7760 8.7760 8.7917 8.7917 10.1827 10.1827 10.2068 10.2068 12.5063 12.5063 k = 0.4514 0.3729 0.2565 ( 5542 PWs) bands (ev): -27.3028 -27.3028 -27.3028 -27.3028 -10.1555 -10.1555 -10.1548 -10.1548 -9.0500 -9.0500 -9.0490 -9.0490 -8.9975 -8.9975 -8.9972 -8.9972 -0.8297 -0.8297 -0.8254 -0.8254 3.4291 3.4291 3.4710 3.4710 4.9392 4.9392 4.9715 4.9715 5.0715 5.0715 5.0866 5.0866 5.3249 5.3249 5.4059 5.4059 5.4109 5.4109 5.4538 5.4538 5.5679 5.5679 5.5809 5.5809 6.2833 6.2833 6.2987 6.2987 7.0936 7.0936 7.1155 7.1155 8.7892 8.7892 8.8065 8.8065 10.2810 10.2810 10.3087 10.3087 12.4536 12.4536 k = 0.4444 0.3849 0.2565 ( 5538 PWs) bands (ev): -27.3028 -27.3028 -27.3028 -27.3028 -10.1557 -10.1557 -10.1549 -10.1549 -9.0495 -9.0495 -9.0483 -9.0483 -8.9987 -8.9987 -8.9984 -8.9984 -0.8246 -0.8246 -0.8198 -0.8198 3.4372 3.4372 3.4860 3.4860 4.9340 4.9340 4.9676 4.9676 5.0728 5.0728 5.0894 5.0894 5.3147 5.3147 5.4040 5.4040 5.4084 5.4084 5.4533 5.4533 5.5654 5.5654 5.5810 5.5810 6.2229 6.2229 6.2340 6.2340 7.0976 7.0976 7.1211 7.1211 8.8027 8.8027 8.8214 8.8214 10.3901 10.3901 10.4216 10.4216 12.4023 12.4023 k = 0.4375 0.3969 0.2565 ( 5538 PWs) bands (ev): -27.3027 -27.3027 -27.3027 -27.3027 -10.1559 -10.1559 -10.1550 -10.1550 -9.0488 -9.0488 -9.0476 -9.0476 -9.0000 -9.0000 -8.9997 -8.9997 -0.8189 -0.8189 -0.8136 -0.8136 3.4463 3.4463 3.5023 3.5023 4.9290 4.9290 4.9626 4.9626 5.0736 5.0736 5.0920 5.0920 5.3032 5.3032 5.3969 5.3969 5.4103 5.4103 5.4528 5.4528 5.5626 5.5626 5.5810 5.5810 6.1620 6.1620 6.1670 6.1670 7.1024 7.1024 7.1272 7.1272 8.8161 8.8161 8.8360 8.8360 10.5086 10.5086 10.5438 10.5438 12.3535 12.3535 k = 0.4306 0.4090 0.2565 ( 5536 PWs) bands (ev): -27.3027 -27.3027 -27.3027 -27.3027 -10.1561 -10.1561 -10.1551 -10.1551 -9.0482 -9.0482 -9.0467 -9.0467 -9.0015 -9.0015 -9.0011 -9.0011 -0.8129 -0.8129 -0.8071 -0.8071 3.4561 3.4561 3.5197 3.5197 4.9243 4.9243 4.9568 4.9568 5.0737 5.0737 5.0942 5.0942 5.2906 5.2906 5.3901 5.3901 5.4115 5.4115 5.4522 5.4522 5.5594 5.5594 5.5809 5.5809 6.0992 6.0992 6.1021 6.1021 7.1080 7.1080 7.1340 7.1340 8.8292 8.8292 8.8502 8.8502 10.6348 10.6348 10.6738 10.6738 12.3077 12.3077 k = 0.4236 0.4210 0.2565 ( 5536 PWs) bands (ev): -27.3027 -27.3027 -27.3027 -27.3027 -10.1563 -10.1563 -10.1552 -10.1552 -9.0474 -9.0474 -9.0458 -9.0458 -9.0029 -9.0029 -9.0026 -9.0026 -0.8064 -0.8064 -0.8001 -0.8001 3.4665 3.4665 3.5380 3.5380 4.9201 4.9201 4.9499 4.9499 5.0729 5.0729 5.0959 5.0959 5.2768 5.2768 5.3835 5.3835 5.4117 5.4117 5.4517 5.4517 5.5558 5.5558 5.5809 5.5809 6.0321 6.0321 6.0447 6.0447 7.1142 7.1142 7.1412 7.1412 8.8417 8.8417 8.8638 8.8638 10.7671 10.7671 10.8101 10.8101 12.2657 12.2660 k = 0.4167 0.4330 0.2565 ( 5536 PWs) bands (ev): -27.3026 -27.3026 -27.3026 -27.3026 -10.1565 -10.1565 -10.1554 -10.1554 -9.0466 -9.0466 -9.0449 -9.0449 -9.0045 -9.0045 -9.0042 -9.0042 -0.7997 -0.7997 -0.7929 -0.7929 3.4771 3.4771 3.5570 3.5570 4.9164 4.9164 4.9416 4.9416 5.0707 5.0707 5.0969 5.0969 5.2623 5.2623 5.3776 5.3776 5.4109 5.4109 5.4513 5.4513 5.5519 5.5519 5.5808 5.5808 5.9670 5.9670 5.9908 5.9908 7.1209 7.1209 7.1488 7.1488 8.8536 8.8536 8.8766 8.8766 10.9039 10.9039 10.9512 10.9512 12.2280 12.2280 k = 0.4097 0.4450 0.2565 ( 5544 PWs) bands (ev): -27.3026 -27.3026 -27.3026 -27.3026 -10.1567 -10.1567 -10.1555 -10.1555 -9.0458 -9.0458 -9.0439 -9.0439 -9.0061 -9.0061 -9.0058 -9.0058 -0.7928 -0.7928 -0.7856 -0.7856 3.4878 3.4878 3.5763 3.5763 4.9135 4.9135 4.9318 4.9318 5.0670 5.0670 5.0969 5.0969 5.2478 5.2478 5.3722 5.3722 5.4091 5.4091 5.4509 5.4509 5.5474 5.5474 5.5807 5.5807 5.9053 5.9053 5.9413 5.9413 7.1280 7.1280 7.1567 7.1567 8.8646 8.8646 8.8886 8.8886 11.0433 11.0433 11.0955 11.0955 12.1951 12.1951 k = 0.4028 0.4571 0.2565 ( 5542 PWs) bands (ev): -27.3025 -27.3025 -27.3025 -27.3025 -10.1569 -10.1569 -10.1557 -10.1557 -9.0450 -9.0450 -9.0429 -9.0429 -9.0077 -9.0077 -9.0075 -9.0075 -0.7858 -0.7858 -0.7782 -0.7782 3.4982 3.4982 3.5957 3.5957 4.9114 4.9114 4.9202 4.9202 5.0616 5.0616 5.0959 5.0959 5.2341 5.2341 5.3676 5.3676 5.4065 5.4065 5.4503 5.4503 5.5427 5.5427 5.5807 5.5807 5.8482 5.8482 5.8968 5.8968 7.1353 7.1353 7.1647 7.1647 8.8747 8.8747 8.8995 8.8995 11.1835 11.1835 11.2411 11.2411 12.1676 12.1676 k = 0.3958 0.4691 0.2565 ( 5550 PWs) bands (ev): -27.3025 -27.3025 -27.3025 -27.3025 -10.1572 -10.1572 -10.1558 -10.1558 -9.0441 -9.0441 -9.0418 -9.0418 -9.0093 -9.0093 -9.0091 -9.0091 -0.7788 -0.7788 -0.7709 -0.7709 3.5082 3.5082 3.6148 3.6148 4.9066 4.9066 4.9103 4.9103 5.0546 5.0546 5.0934 5.0934 5.2220 5.2220 5.3636 5.3636 5.4032 5.4032 5.4492 5.4492 5.5378 5.5378 5.5807 5.5807 5.7967 5.7967 5.8574 5.8574 7.1427 7.1427 7.1727 7.1727 8.8837 8.8837 8.9094 8.9094 11.3219 11.3219 11.3859 11.3859 12.1456 12.1456 k = 0.3889 0.4811 0.2565 ( 5544 PWs) bands (ev): -27.3025 -27.3025 -27.3025 -27.3025 -10.1574 -10.1574 -10.1560 -10.1560 -9.0432 -9.0432 -9.0408 -9.0408 -9.0109 -9.0109 -9.0108 -9.0108 -0.7720 -0.7720 -0.7638 -0.7638 3.5175 3.5175 3.6332 3.6332 4.8909 4.8909 4.9104 4.9104 5.0467 5.0467 5.0893 5.0893 5.2120 5.2120 5.3604 5.3604 5.3994 5.3994 5.4473 5.4473 5.5329 5.5329 5.5807 5.5807 5.7516 5.7516 5.8232 5.8232 7.1501 7.1501 7.1806 7.1806 8.8916 8.8916 8.9181 8.9181 11.4560 11.4560 11.5271 11.5271 12.1298 12.1298 k = 0.3819 0.4932 0.2565 ( 5546 PWs) bands (ev): -27.3024 -27.3024 -27.3024 -27.3024 -10.1576 -10.1576 -10.1561 -10.1561 -9.0424 -9.0424 -9.0397 -9.0397 -9.0124 -9.0124 -9.0124 -9.0124 -0.7655 -0.7655 -0.7570 -0.7570 3.5258 3.5258 3.6506 3.6506 4.8736 4.8736 4.9117 4.9117 5.0385 5.0385 5.0835 5.0835 5.2042 5.2042 5.3578 5.3578 5.3955 5.3955 5.4441 5.4441 5.5283 5.5283 5.5809 5.5809 5.7136 5.7136 5.7939 5.7939 7.1572 7.1572 7.1882 7.1882 8.8983 8.8983 8.9255 8.9255 11.5823 11.5823 11.6608 11.6608 12.1205 12.1205 k = 0.3750 0.5052 0.2565 ( 5534 PWs) bands (ev): -27.3024 -27.3024 -27.3024 -27.3024 -10.1577 -10.1577 -10.1563 -10.1563 -9.0416 -9.0416 -9.0387 -9.0387 -9.0140 -9.0140 -9.0138 -9.0138 -0.7594 -0.7594 -0.7506 -0.7506 3.5330 3.5330 3.6664 3.6664 4.8553 4.8553 4.9144 4.9144 5.0308 5.0308 5.0757 5.0757 5.1984 5.1984 5.3557 5.3557 5.3919 5.3919 5.4396 5.4396 5.5245 5.5245 5.5812 5.5812 5.6826 5.6826 5.7694 5.7694 7.1640 7.1640 7.1954 7.1954 8.9038 8.9038 8.9316 8.9316 11.6968 11.6968 11.7812 11.7812 12.1178 12.1178 k = 0.3681 0.5172 0.2565 ( 5538 PWs) bands (ev): -27.3024 -27.3024 -27.3024 -27.3024 -10.1579 -10.1579 -10.1564 -10.1564 -9.0408 -9.0408 -9.0377 -9.0377 -9.0154 -9.0154 -9.0151 -9.0151 -0.7538 -0.7538 -0.7449 -0.7449 3.5390 3.5390 3.6802 3.6802 4.8371 4.8371 4.9184 4.9184 5.0239 5.0239 5.0663 5.0663 5.1942 5.1942 5.3541 5.3541 5.3890 5.3890 5.4337 5.4337 5.5216 5.5216 5.5815 5.5815 5.6582 5.6582 5.7491 5.7491 7.1703 7.1703 7.2020 7.2020 8.9080 8.9080 8.9364 8.9364 11.7956 11.7956 11.8804 11.8804 12.1209 12.1209 k = 0.3611 0.5292 0.2565 ( 5538 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1581 -10.1581 -10.1565 -10.1565 -9.0402 -9.0402 -9.0369 -9.0369 -9.0167 -9.0167 -9.0162 -9.0162 -0.7490 -0.7490 -0.7399 -0.7399 3.5436 3.5436 3.6918 3.6918 4.8205 4.8205 4.9236 4.9236 5.0182 5.0182 5.0557 5.0557 5.1913 5.1913 5.3530 5.3530 5.3872 5.3872 5.4267 5.4267 5.5198 5.5198 5.5819 5.5819 5.6397 5.6397 5.7328 5.7328 7.1758 7.1758 7.2078 7.2078 8.9112 8.9112 8.9400 8.9400 11.8763 11.8763 11.9514 11.9514 12.1270 12.1270 k = 0.3542 0.5413 0.2565 ( 5530 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1582 -10.1582 -10.1566 -10.1566 -9.0397 -9.0397 -9.0361 -9.0361 -9.0178 -9.0178 -9.0171 -9.0171 -0.7450 -0.7450 -0.7357 -0.7357 3.5469 3.5469 3.7008 3.7008 4.8064 4.8064 4.9296 4.9296 5.0137 5.0137 5.0447 5.0447 5.1893 5.1893 5.3522 5.3522 5.3871 5.3871 5.4194 5.4194 5.5188 5.5188 5.5823 5.5823 5.6262 5.6262 5.7204 5.7204 7.1804 7.1804 7.2126 7.2126 8.9132 8.9132 8.9425 8.9425 11.9395 11.9395 11.9960 11.9960 12.1312 12.1312 k = 0.3472 0.5533 0.2565 ( 5534 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1567 -10.1567 -9.0393 -9.0393 -9.0355 -9.0355 -9.0186 -9.0186 -9.0178 -9.0178 -0.7420 -0.7420 -0.7326 -0.7326 3.5490 3.5490 3.7070 3.7070 4.7958 4.7958 4.9359 4.9359 5.0105 5.0105 5.0345 5.0345 5.1880 5.1880 5.3516 5.3516 5.3886 5.3886 5.4120 5.4120 5.5184 5.5184 5.5827 5.5827 5.6171 5.6171 5.7115 5.7115 7.1839 7.1839 7.2163 7.2163 8.9144 8.9144 8.9439 8.9439 11.9892 11.9892 12.0239 12.0239 12.1271 12.1271 k = 0.3403 0.5653 0.2565 ( 5538 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1568 -10.1568 -9.0390 -9.0390 -9.0352 -9.0352 -9.0191 -9.0191 -9.0182 -9.0182 -0.7400 -0.7400 -0.7306 -0.7306 3.5501 3.5501 3.7106 3.7106 4.7894 4.7894 4.9409 4.9409 5.0086 5.0086 5.0270 5.0270 5.1872 5.1872 5.3513 5.3513 5.3917 5.3917 5.4053 5.4053 5.5183 5.5183 5.5830 5.5830 5.6117 5.6117 5.7062 5.7062 7.1862 7.1862 7.2186 7.2186 8.9149 8.9149 8.9446 8.9446 12.0295 12.0295 12.0413 12.0413 12.1114 12.1114 k = 0.3333 0.5774 0.2565 ( 5526 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1568 -10.1568 -9.0390 -9.0390 -9.0351 -9.0351 -9.0193 -9.0193 -9.0183 -9.0183 -0.7394 -0.7394 -0.7299 -0.7299 3.5504 3.5504 3.7117 3.7117 4.7873 4.7873 4.9429 4.9429 5.0080 5.0080 5.0241 5.0241 5.1870 5.1870 5.3513 5.3513 5.3944 5.3944 5.4013 5.4013 5.5184 5.5184 5.5831 5.5831 5.6100 5.6100 5.7044 5.7044 7.1870 7.1870 7.2195 7.2195 8.9150 8.9150 8.9447 8.9447 12.0481 12.0481 12.0537 12.0537 12.0944 12.0944 k = 0.3333 0.5774 0.2565 ( 5526 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1568 -10.1568 -9.0390 -9.0390 -9.0351 -9.0351 -9.0193 -9.0193 -9.0183 -9.0183 -0.7394 -0.7394 -0.7299 -0.7299 3.5504 3.5504 3.7117 3.7117 4.7873 4.7873 4.9429 4.9429 5.0080 5.0080 5.0241 5.0241 5.1870 5.1870 5.3513 5.3513 5.3944 5.3944 5.4013 5.4013 5.5184 5.5184 5.5831 5.5831 5.6100 5.6100 5.7044 5.7044 7.1870 7.1870 7.2195 7.2195 8.9150 8.9150 8.9447 8.9447 12.0481 12.0481 12.0537 12.0537 12.0944 12.0944 k = 0.3262 0.5651 0.2565 ( 5536 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1568 -10.1568 -9.0390 -9.0390 -9.0352 -9.0352 -9.0191 -9.0191 -9.0182 -9.0182 -0.7401 -0.7401 -0.7307 -0.7307 3.5502 3.5502 3.7107 3.7107 4.7894 4.7894 4.9407 4.9407 5.0087 5.0087 5.0271 5.0271 5.1873 5.1873 5.3513 5.3513 5.3913 5.3913 5.4056 5.4056 5.5183 5.5183 5.5830 5.5830 5.6118 5.6118 5.7063 5.7063 7.1861 7.1861 7.2185 7.2185 8.9150 8.9150 8.9447 8.9447 12.0246 12.0246 12.0391 12.0391 12.1176 12.1176 k = 0.3191 0.5528 0.2565 ( 5532 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1567 -10.1567 -9.0392 -9.0392 -9.0355 -9.0355 -9.0186 -9.0186 -9.0178 -9.0178 -0.7424 -0.7424 -0.7330 -0.7330 3.5500 3.5500 3.7081 3.7081 4.7952 4.7952 4.9350 4.9350 5.0108 5.0108 5.0352 5.0352 5.1882 5.1882 5.3516 5.3516 5.3873 5.3873 5.4133 5.4133 5.5184 5.5184 5.5826 5.5826 5.6175 5.6175 5.7119 5.7119 7.1833 7.1833 7.2156 7.2156 8.9153 8.9153 8.9448 8.9448 11.9731 11.9731 12.0107 12.0107 12.1545 12.1545 k = 0.3121 0.5405 0.2565 ( 5542 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1581 -10.1581 -10.1566 -10.1566 -9.0395 -9.0395 -9.0359 -9.0359 -9.0179 -9.0179 -9.0172 -9.0172 -0.7464 -0.7464 -0.7371 -0.7371 3.5501 3.5501 3.7047 3.7047 4.8039 4.8039 4.9275 4.9275 5.0142 5.0142 5.0461 5.0461 5.1899 5.1899 5.3521 5.3521 5.3846 5.3846 5.4216 5.4216 5.5187 5.5187 5.5821 5.5821 5.6272 5.6272 5.7212 5.7212 7.1783 7.1783 7.2105 7.2105 8.9162 8.9162 8.9455 8.9455 11.9136 11.9136 11.9652 11.9652 12.1936 12.1936 k = 0.3050 0.5282 0.2565 ( 5550 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1580 -10.1580 -10.1564 -10.1564 -9.0397 -9.0397 -9.0363 -9.0363 -9.0170 -9.0170 -9.0165 -9.0165 -0.7521 -0.7521 -0.7429 -0.7429 3.5511 3.5511 3.7010 3.7010 4.8144 4.8144 4.9195 4.9195 5.0191 5.0191 5.0579 5.0579 5.1927 5.1927 5.3530 5.3530 5.3836 5.3836 5.4300 5.4300 5.5195 5.5195 5.5815 5.5815 5.6415 5.6415 5.7343 5.7343 7.1712 7.1712 7.2030 7.2030 8.9182 8.9182 8.9471 8.9471 11.8494 11.8494 11.9082 11.9082 12.2339 12.2339 k = 0.2979 0.5159 0.2565 ( 5548 PWs) bands (ev): -27.3024 -27.3024 -27.3024 -27.3024 -10.1577 -10.1577 -10.1562 -10.1562 -9.0400 -9.0400 -9.0368 -9.0368 -9.0160 -9.0160 -9.0156 -9.0156 -0.7596 -0.7596 -0.7507 -0.7507 3.5534 3.5534 3.6978 3.6978 4.8257 4.8257 4.9117 4.9117 5.0252 5.0252 5.0690 5.0690 5.1971 5.1971 5.3543 5.3543 5.3847 5.3847 5.4377 5.4377 5.5210 5.5210 5.5808 5.5808 5.6609 5.6609 5.7513 5.7513 7.1616 7.1616 7.1931 7.1931 8.9216 8.9216 8.9502 8.9502 11.7824 11.7824 11.8444 11.8444 12.2748 12.2748 k = 0.2908 0.5036 0.2565 ( 5556 PWs) bands (ev): -27.3024 -27.3024 -27.3024 -27.3024 -10.1575 -10.1575 -10.1560 -10.1560 -9.0402 -9.0402 -9.0372 -9.0372 -9.0149 -9.0149 -9.0146 -9.0146 -0.7691 -0.7691 -0.7603 -0.7603 3.5572 3.5572 3.6958 3.6958 4.8367 4.8367 4.9045 4.9045 5.0321 5.0321 5.0785 5.0785 5.2037 5.2037 5.3562 5.3562 5.3880 5.3880 5.4443 5.4443 5.5233 5.5233 5.5802 5.5802 5.6858 5.6858 5.7721 5.7721 7.1495 7.1495 7.1806 7.1806 8.9269 8.9269 8.9550 8.9550 11.7136 11.7136 11.7765 11.7765 12.3156 12.3156 k = 0.2837 0.4914 0.2565 ( 5552 PWs) bands (ev): -27.3025 -27.3025 -27.3025 -27.3025 -10.1571 -10.1571 -10.1557 -10.1557 -9.0404 -9.0404 -9.0375 -9.0375 -9.0137 -9.0137 -9.0135 -9.0135 -0.7804 -0.7804 -0.7719 -0.7719 3.5631 3.5631 3.6954 3.6954 4.8466 4.8466 4.8981 4.8981 5.0391 5.0391 5.0856 5.0856 5.2129 5.2129 5.3590 5.3590 5.3935 5.3935 5.4500 5.4500 5.5263 5.5263 5.5797 5.5797 5.7165 5.7165 5.7969 5.7969 7.1349 7.1349 7.1654 7.1654 8.9344 8.9344 8.9621 8.9621 11.6440 11.6440 11.7063 11.7063 12.3554 12.3554 k = 0.2766 0.4791 0.2565 ( 5542 PWs) bands (ev): -27.3026 -27.3026 -27.3026 -27.3026 -10.1567 -10.1567 -10.1553 -10.1553 -9.0404 -9.0404 -9.0377 -9.0377 -9.0124 -9.0124 -9.0123 -9.0123 -0.7937 -0.7937 -0.7854 -0.7854 3.5714 3.5714 3.6973 3.6973 4.8549 4.8549 4.8924 4.8924 5.0454 5.0454 5.0901 5.0901 5.2252 5.2252 5.3630 5.3630 5.4007 5.4007 5.4556 5.4556 5.5298 5.5298 5.5793 5.5793 5.7530 5.7530 5.8258 5.8258 7.1178 7.1178 7.1476 7.1476 8.9445 8.9445 8.9717 8.9717 11.5742 11.5742 11.6351 11.6351 12.3902 12.3902 k = 0.2695 0.4668 0.2565 ( 5546 PWs) bands (ev): -27.3026 -27.3026 -27.3026 -27.3026 -10.1562 -10.1562 -10.1549 -10.1549 -9.0403 -9.0403 -9.0378 -9.0378 -9.0112 -9.0112 -9.0112 -9.0112 -0.8089 -0.8089 -0.8009 -0.8009 3.5821 3.5821 3.7016 3.7016 4.8614 4.8614 4.8874 4.8874 5.0504 5.0504 5.0919 5.0919 5.2402 5.2402 5.3689 5.3689 5.4082 5.4082 5.4624 5.4624 5.5335 5.5335 5.5790 5.5790 5.7948 5.7948 5.8587 5.8587 7.0982 7.0982 7.1272 7.1272 8.9574 8.9574 8.9841 8.9841 11.5046 11.5046 11.5636 11.5636 12.3858 12.3858 k = 0.2624 0.4545 0.2565 ( 5534 PWs) bands (ev): -27.3027 -27.3027 -27.3027 -27.3027 -10.1557 -10.1557 -10.1544 -10.1544 -9.0401 -9.0401 -9.0378 -9.0378 -9.0099 -9.0099 -9.0099 -9.0099 -0.8259 -0.8259 -0.8182 -0.8182 3.5956 3.5956 3.7087 3.7087 4.8660 4.8660 4.8830 4.8830 5.0537 5.0537 5.0912 5.0912 5.2571 5.2571 5.3775 5.3775 5.4148 5.4148 5.4722 5.4722 5.5373 5.5373 5.5789 5.5789 5.8417 5.8417 5.8958 5.8958 7.0763 7.0763 7.1043 7.1043 8.9734 8.9734 8.9997 8.9997 11.4355 11.4355 11.4924 11.4924 12.3185 12.3191 k = 0.2553 0.4422 0.2565 ( 5536 PWs) bands (ev): -27.3028 -27.3028 -27.3028 -27.3028 -10.1551 -10.1551 -10.1538 -10.1538 -9.0398 -9.0398 -9.0376 -9.0376 -9.0087 -9.0087 -9.0086 -9.0086 -0.8448 -0.8448 -0.8374 -0.8374 3.6119 3.6119 3.7187 3.7187 4.8687 4.8687 4.8791 4.8791 5.0552 5.0552 5.0884 5.0884 5.2745 5.2745 5.3898 5.3898 5.4191 5.4191 5.4859 5.4859 5.5412 5.5412 5.5789 5.5789 5.8931 5.8931 5.9368 5.9368 7.0523 7.0523 7.0790 7.0790 8.9927 8.9927 9.0186 9.0186 11.3674 11.3674 11.4218 11.4218 12.2393 12.2393 k = 0.2482 0.4299 0.2565 ( 5544 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1544 -10.1544 -10.1532 -10.1532 -9.0394 -9.0394 -9.0373 -9.0373 -9.0074 -9.0074 -9.0072 -9.0072 -0.8654 -0.8654 -0.8584 -0.8584 3.6310 3.6310 3.7317 3.7317 4.8698 4.8698 4.8755 4.8755 5.0552 5.0552 5.0839 5.0839 5.2904 5.2904 5.4071 5.4071 5.4212 5.4212 5.5034 5.5034 5.5456 5.5456 5.5794 5.5794 5.9482 5.9482 5.9816 5.9816 7.0265 7.0265 7.0517 7.0517 9.0154 9.0154 9.0409 9.0409 11.3005 11.3005 11.3523 11.3523 12.1578 12.1578 k = 0.2411 0.4177 0.2565 ( 5544 PWs) bands (ev): -27.3031 -27.3031 -27.3031 -27.3031 -10.1537 -10.1537 -10.1525 -10.1525 -9.0388 -9.0388 -9.0369 -9.0369 -9.0061 -9.0061 -9.0059 -9.0059 -0.8876 -0.8876 -0.8810 -0.8810 3.6530 3.6530 3.7478 3.7478 4.8693 4.8693 4.8721 4.8721 5.0541 5.0541 5.0781 5.0781 5.3037 5.3037 5.4216 5.4216 5.4298 5.4298 5.5225 5.5225 5.5521 5.5521 5.5804 5.5804 6.0065 6.0065 6.0301 6.0301 6.9992 6.9992 7.0228 7.0228 9.0417 9.0417 9.0668 9.0668 11.2349 11.2349 11.2840 11.2840 12.0759 12.0760 k = 0.2340 0.4054 0.2565 ( 5548 PWs) bands (ev): -27.3032 -27.3032 -27.3032 -27.3032 -10.1529 -10.1529 -10.1518 -10.1518 -9.0381 -9.0381 -9.0364 -9.0364 -9.0048 -9.0048 -9.0046 -9.0046 -0.9114 -0.9114 -0.9051 -0.9051 3.6778 3.6778 3.7668 3.7668 4.8674 4.8674 4.8688 4.8688 5.0520 5.0520 5.0713 5.0713 5.3143 5.3143 5.4210 5.4210 5.4571 5.4571 5.5368 5.5368 5.5665 5.5665 5.5826 5.5826 6.0672 6.0672 6.0818 6.0818 6.9711 6.9711 6.9925 6.9925 9.0716 9.0716 9.0964 9.0964 11.1708 11.1708 11.2172 11.2172 11.9946 11.9946 k = 0.2270 0.3931 0.2565 ( 5556 PWs) bands (ev): -27.3033 -27.3033 -27.3033 -27.3033 -10.1520 -10.1520 -10.1510 -10.1510 -9.0373 -9.0373 -9.0357 -9.0357 -9.0034 -9.0034 -9.0032 -9.0032 -0.9365 -0.9365 -0.9306 -0.9306 3.7052 3.7052 3.7886 3.7886 4.8640 4.8640 4.8653 4.8653 5.0493 5.0493 5.0641 5.0641 5.3227 5.3227 5.4197 5.4197 5.4868 5.4868 5.5434 5.5434 5.5871 5.5871 5.5915 5.5915 6.1295 6.1295 6.1361 6.1361 6.9428 6.9428 6.9616 6.9616 9.1050 9.1050 9.1297 9.1297 11.1084 11.1084 11.1521 11.1521 11.9142 11.9142 k = 0.2199 0.3808 0.2565 ( 5548 PWs) bands (ev): -27.3035 -27.3035 -27.3035 -27.3035 -10.1511 -10.1511 -10.1501 -10.1501 -9.0365 -9.0365 -9.0349 -9.0349 -9.0020 -9.0020 -9.0018 -9.0018 -0.9629 -0.9629 -0.9573 -0.9573 3.7350 3.7350 3.8132 3.8132 4.8595 4.8595 4.8615 4.8615 5.0463 5.0463 5.0566 5.0566 5.3296 5.3296 5.4181 5.4181 5.5150 5.5150 5.5466 5.5466 5.5974 5.5974 5.6226 5.6226 6.1923 6.1923 6.1924 6.1924 6.9153 6.9153 6.9309 6.9309 9.1420 9.1420 9.1665 9.1665 11.0479 11.0479 11.0889 11.0889 11.8352 11.8352 k = 0.2128 0.3685 0.2565 ( 5544 PWs) bands (ev): -27.3036 -27.3036 -27.3036 -27.3036 -10.1501 -10.1501 -10.1492 -10.1492 -9.0355 -9.0355 -9.0340 -9.0340 -9.0006 -9.0006 -9.0003 -9.0003 -0.9903 -0.9903 -0.9851 -0.9851 3.7671 3.7671 3.8401 3.8401 4.8537 4.8537 4.8572 4.8572 5.0430 5.0430 5.0491 5.0491 5.3354 5.3354 5.4163 5.4163 5.5355 5.5355 5.5487 5.5487 5.6190 5.6190 5.6576 5.6576 6.2495 6.2495 6.2542 6.2542 6.8900 6.8900 6.9013 6.9013 9.1826 9.1826 9.2071 9.2071 10.9894 10.9894 11.0277 11.0277 11.7578 11.7578 k = 0.2057 0.3562 0.2565 ( 5544 PWs) bands (ev): -27.3038 -27.3038 -27.3038 -27.3038 -10.1491 -10.1491 -10.1483 -10.1483 -9.0344 -9.0344 -9.0331 -9.0331 -8.9991 -8.9991 -8.9989 -8.9989 -1.0187 -1.0187 -1.0139 -1.0139 3.8013 3.8013 3.8693 3.8693 4.8469 4.8469 4.8523 4.8523 5.0397 5.0397 5.0419 5.0419 5.3406 5.3406 5.4143 5.4143 5.5460 5.5460 5.5500 5.5500 5.6535 5.6535 5.6960 5.6960 6.3060 6.3060 6.3131 6.3131 6.8689 6.8689 6.8745 6.8745 9.2266 9.2266 9.2511 9.2511 10.9330 10.9330 10.9687 10.9687 11.6823 11.6823 k = 0.1986 0.3440 0.2565 ( 5544 PWs) bands (ev): -27.3040 -27.3040 -27.3040 -27.3040 -10.1481 -10.1481 -10.1473 -10.1473 -9.0333 -9.0333 -9.0321 -9.0321 -8.9976 -8.9976 -8.9973 -8.9973 -1.0478 -1.0478 -1.0434 -1.0434 3.8371 3.8371 3.9003 3.9003 4.8391 4.8391 4.8467 4.8467 5.0351 5.0351 5.0363 5.0363 5.3453 5.3453 5.4122 5.4122 5.5504 5.5504 5.5507 5.5507 5.6970 5.6970 5.7378 5.7378 6.3594 6.3594 6.3661 6.3661 6.8529 6.8529 6.8551 6.8551 9.2740 9.2740 9.2986 9.2986 10.8789 10.8789 10.9119 10.9119 11.6087 11.6087 k = 0.1915 0.3317 0.2565 ( 5540 PWs) bands (ev): -27.3041 -27.3041 -27.3041 -27.3041 -10.1470 -10.1470 -10.1462 -10.1462 -9.0321 -9.0321 -9.0311 -9.0311 -8.9960 -8.9960 -8.9958 -8.9958 -1.0776 -1.0776 -1.0735 -1.0735 3.8744 3.8744 3.9330 3.9330 4.8305 4.8305 4.8403 4.8403 5.0288 5.0288 5.0329 5.0329 5.3496 5.3496 5.4102 5.4102 5.5511 5.5511 5.5520 5.5520 5.7463 5.7463 5.7828 5.7828 6.4063 6.4063 6.4093 6.4093 6.8401 6.8401 6.8526 6.8526 9.3246 9.3246 9.3494 9.3494 10.8271 10.8271 10.8576 10.8576 11.5374 11.5374 k = 0.1844 0.3194 0.2565 ( 5522 PWs) bands (ev): -27.3043 -27.3043 -27.3043 -27.3043 -10.1458 -10.1458 -10.1452 -10.1452 -9.0310 -9.0310 -9.0300 -9.0300 -8.9944 -8.9944 -8.9941 -8.9941 -1.1077 -1.1077 -1.1040 -1.1040 3.9128 3.9128 3.9671 3.9671 4.8211 4.8211 4.8330 4.8330 5.0231 5.0231 5.0295 5.0295 5.3536 5.3536 5.4082 5.4082 5.5511 5.5511 5.5522 5.5522 5.7997 5.7997 5.8310 5.8310 6.4387 6.4387 6.4421 6.4421 6.8407 6.8407 6.8657 6.8657 9.3783 9.3783 9.4034 9.4034 10.7778 10.7778 10.8058 10.8058 11.4683 11.4683 k = 0.1773 0.3071 0.2565 ( 5522 PWs) bands (ev): -27.3045 -27.3045 -27.3045 -27.3045 -10.1447 -10.1447 -10.1441 -10.1441 -9.0298 -9.0298 -9.0289 -9.0289 -8.9926 -8.9926 -8.9924 -8.9924 -1.1382 -1.1382 -1.1348 -1.1348 3.9521 3.9521 4.0022 4.0022 4.8111 4.8111 4.8249 4.8249 5.0180 5.0180 5.0261 5.0261 5.3574 5.3574 5.4062 5.4062 5.5506 5.5506 5.5515 5.5515 5.8565 5.8565 5.8823 5.8823 6.4525 6.4525 6.4631 6.4631 6.8590 6.8590 6.8962 6.8962 9.4349 9.4349 9.4605 9.4605 10.7312 10.7312 10.7568 10.7568 11.4016 11.4016 k = 0.1702 0.2948 0.2565 ( 5524 PWs) bands (ev): -27.3047 -27.3047 -27.3047 -27.3047 -10.1435 -10.1435 -10.1430 -10.1430 -9.0286 -9.0286 -9.0279 -9.0279 -8.9908 -8.9908 -8.9906 -8.9906 -1.1687 -1.1687 -1.1657 -1.1657 3.9919 3.9919 4.0380 4.0380 4.8006 4.8006 4.8159 4.8159 5.0135 5.0135 5.0228 5.0228 5.3608 5.3608 5.4042 5.4042 5.5498 5.5498 5.5502 5.5502 5.9159 5.9159 5.9363 5.9363 6.4531 6.4531 6.4690 6.4690 6.8953 6.8953 6.9426 6.9426 9.4941 9.4941 9.5203 9.5203 10.6873 10.6873 10.7105 10.7105 11.3373 11.3373 k = 0.1631 0.2825 0.2565 ( 5524 PWs) bands (ev): -27.3049 -27.3049 -27.3049 -27.3049 -10.1423 -10.1423 -10.1418 -10.1418 -9.0275 -9.0275 -9.0268 -9.0268 -8.9889 -8.9889 -8.9887 -8.9887 -1.1992 -1.1992 -1.1965 -1.1965 4.0319 4.0319 4.0743 4.0743 4.7897 4.7897 4.8062 4.8062 5.0095 5.0095 5.0194 5.0194 5.3640 5.3640 5.4022 5.4022 5.5484 5.5484 5.5486 5.5486 5.9770 5.9770 5.9921 5.9921 6.4453 6.4453 6.4642 6.4642 6.9465 6.9465 7.0007 7.0007 9.5558 9.5558 9.5827 9.5827 10.6463 10.6463 10.6672 10.6672 11.2757 11.2757 k = 0.1560 0.2702 0.2565 ( 5524 PWs) bands (ev): -27.3051 -27.3051 -27.3051 -27.3051 -10.1411 -10.1411 -10.1407 -10.1407 -9.0265 -9.0265 -9.0259 -9.0259 -8.9869 -8.9869 -8.9867 -8.9867 -1.2295 -1.2295 -1.2271 -1.2271 4.0719 4.0719 4.1108 4.1108 4.7785 4.7785 4.7959 4.7959 5.0058 5.0058 5.0159 5.0159 5.3669 5.3669 5.4003 5.4003 5.5464 5.5464 5.5471 5.5471 6.0381 6.0381 6.0482 6.0482 6.4348 6.4348 6.4547 6.4547 7.0080 7.0080 7.0668 7.0668 9.6195 9.6195 9.6474 9.6474 10.6085 10.6085 10.6270 10.6270 11.2168 11.2168 k = 0.1489 0.2580 0.2565 ( 5532 PWs) bands (ev): -27.3053 -27.3053 -27.3053 -27.3053 -10.1399 -10.1399 -10.1395 -10.1395 -9.0254 -9.0254 -9.0249 -9.0249 -8.9849 -8.9849 -8.9846 -8.9846 -1.2595 -1.2595 -1.2573 -1.2573 4.1116 4.1116 4.1471 4.1471 4.7671 4.7671 4.7851 4.7851 5.0025 5.0025 5.0124 5.0124 5.3695 5.3695 5.3984 5.3984 5.5440 5.5440 5.5453 5.5453 6.0957 6.0957 6.1010 6.1010 6.4278 6.4278 6.4475 6.4475 7.0762 7.0762 7.1378 7.1378 9.6849 9.6849 9.7139 9.7139 10.5738 10.5738 10.5901 10.5901 11.1608 11.1608 k = 0.1418 0.2457 0.2565 ( 5524 PWs) bands (ev): -27.3055 -27.3055 -27.3055 -27.3055 -10.1387 -10.1387 -10.1384 -10.1384 -9.0245 -9.0245 -9.0241 -9.0241 -8.9827 -8.9827 -8.9825 -8.9825 -1.2889 -1.2889 -1.2871 -1.2871 4.1507 4.1507 4.1832 4.1832 4.7556 4.7556 4.7740 4.7740 4.9994 4.9994 5.0089 5.0089 5.3718 5.3718 5.3965 5.3965 5.5414 5.5414 5.5431 5.5431 6.1440 6.1440 6.1447 6.1447 6.4324 6.4324 6.4513 6.4513 7.1484 7.1484 7.2118 7.2118 9.7513 9.7513 9.7819 9.7819 10.5426 10.5426 10.5567 10.5567 11.1077 11.1077 k = 0.1348 0.2334 0.2565 ( 5532 PWs) bands (ev): -27.3057 -27.3057 -27.3057 -27.3057 -10.1375 -10.1375 -10.1372 -10.1372 -9.0236 -9.0236 -9.0233 -9.0233 -8.9805 -8.9805 -8.9803 -8.9803 -1.3178 -1.3178 -1.3161 -1.3161 4.1890 4.1890 4.2186 4.2186 4.7442 4.7442 4.7626 4.7626 4.9963 4.9963 5.0052 5.0052 5.3737 5.3737 5.3947 5.3947 5.5386 5.5386 5.5406 5.5406 6.1714 6.1714 6.1747 6.1747 6.4576 6.4576 6.4753 6.4753 7.2231 7.2231 7.2875 7.2875 9.8182 9.8182 9.8505 9.8505 10.5149 10.5149 10.5268 10.5268 11.0578 11.0578 k = 0.1277 0.2211 0.2565 ( 5532 PWs) bands (ev): -27.3059 -27.3059 -27.3059 -27.3059 -10.1364 -10.1364 -10.1361 -10.1361 -9.0229 -9.0229 -9.0225 -9.0225 -8.9782 -8.9782 -8.9780 -8.9780 -1.3459 -1.3459 -1.3445 -1.3445 4.2264 4.2264 4.2534 4.2534 4.7328 4.7328 4.7511 4.7511 4.9933 4.9933 5.0014 5.0014 5.3754 5.3754 5.3929 5.3929 5.5356 5.5356 5.5379 5.5379 6.1786 6.1786 6.1847 6.1847 6.5067 6.5067 6.5240 6.5240 7.2990 7.2990 7.3637 7.3637 9.8846 9.8846 9.9189 9.9189 10.4911 10.4911 10.5008 10.5008 11.0114 11.0114 k = 0.1206 0.2088 0.2565 ( 5528 PWs) bands (ev): -27.3061 -27.3061 -27.3061 -27.3061 -10.1352 -10.1352 -10.1350 -10.1350 -9.0221 -9.0221 -9.0219 -9.0219 -8.9759 -8.9759 -8.9757 -8.9757 -1.3731 -1.3731 -1.3719 -1.3719 4.2626 4.2626 4.2872 4.2872 4.7217 4.7217 4.7396 4.7396 4.9903 4.9903 4.9975 4.9975 5.3766 5.3766 5.3911 5.3911 5.5324 5.5324 5.5350 5.5350 6.1715 6.1715 6.1787 6.1787 6.5750 6.5750 6.5930 6.5930 7.3753 7.3753 7.4397 7.4397 9.9492 9.9492 9.9859 9.9859 10.4711 10.4711 10.4788 10.4788 10.9692 10.9692 k = 0.1135 0.1965 0.2565 ( 5528 PWs) bands (ev): -27.3063 -27.3063 -27.3063 -27.3063 -10.1341 -10.1341 -10.1339 -10.1339 -9.0215 -9.0215 -9.0213 -9.0213 -8.9735 -8.9735 -8.9734 -8.9734 -1.3994 -1.3994 -1.3984 -1.3984 4.2975 4.2975 4.3199 4.3199 4.7108 4.7108 4.7282 4.7282 4.9871 4.9871 4.9935 4.9935 5.3776 5.3776 5.3893 5.3893 5.5291 5.5291 5.5318 5.5318 6.1564 6.1564 6.1638 6.1638 6.6565 6.6565 6.6758 6.6758 7.4512 7.4512 7.5149 7.5149 10.0103 10.0103 10.0498 10.0498 10.4552 10.4552 10.4610 10.4610 10.9317 10.9317 k = 0.1064 0.1843 0.2565 ( 5532 PWs) bands (ev): -27.3064 -27.3064 -27.3064 -27.3064 -10.1331 -10.1331 -10.1329 -10.1329 -9.0210 -9.0210 -9.0208 -9.0208 -8.9712 -8.9712 -8.9711 -8.9711 -1.4245 -1.4245 -1.4237 -1.4237 4.3311 4.3311 4.3515 4.3515 4.7002 4.7002 4.7170 4.7170 4.9838 4.9838 4.9893 4.9893 5.3782 5.3782 5.3875 5.3875 5.5257 5.5257 5.5284 5.5284 6.1375 6.1375 6.1445 6.1445 6.7470 6.7470 6.7677 6.7677 7.5262 7.5262 7.5887 7.5887 10.0655 10.0655 10.1079 10.1079 10.4435 10.4435 10.4479 10.4479 10.9002 10.9002 k = 0.0993 0.1720 0.2565 ( 5540 PWs) bands (ev): -27.3066 -27.3066 -27.3066 -27.3066 -10.1320 -10.1320 -10.1319 -10.1319 -9.0205 -9.0205 -9.0203 -9.0203 -8.9689 -8.9689 -8.9688 -8.9688 -1.4485 -1.4485 -1.4479 -1.4479 4.3632 4.3632 4.3817 4.3817 4.6900 4.6900 4.7061 4.7061 4.9803 4.9803 4.9849 4.9849 5.3785 5.3785 5.3857 5.3857 5.5223 5.5223 5.5248 5.5248 6.1172 6.1172 6.1235 6.1235 6.8443 6.8443 6.8663 6.8663 7.5997 7.5997 7.6605 7.6605 10.1121 10.1121 10.1567 10.1567 10.4358 10.4358 10.4398 10.4398 10.8762 10.8762 k = 0.0922 0.1597 0.2565 ( 5540 PWs) bands (ev): -27.3068 -27.3068 -27.3068 -27.3068 -10.1311 -10.1311 -10.1310 -10.1310 -9.0200 -9.0200 -9.0199 -9.0199 -8.9666 -8.9666 -8.9665 -8.9665 -1.4713 -1.4713 -1.4707 -1.4707 4.3937 4.3937 4.4105 4.4105 4.6802 4.6802 4.6955 4.6955 4.9765 4.9765 4.9804 4.9804 5.3785 5.3785 5.3840 5.3840 5.5189 5.5189 5.5212 5.5212 6.0967 6.0967 6.1022 6.1022 6.9468 6.9468 6.9700 6.9700 7.6712 7.6712 7.7298 7.7298 10.1462 10.1462 10.1916 10.1916 10.4323 10.4323 10.4374 10.4374 10.8614 10.8616 k = 0.0851 0.1474 0.2565 ( 5542 PWs) bands (ev): -27.3070 -27.3070 -27.3070 -27.3070 -10.1301 -10.1301 -10.1301 -10.1301 -9.0197 -9.0197 -9.0196 -9.0196 -8.9644 -8.9644 -8.9643 -8.9643 -1.4926 -1.4926 -1.4922 -1.4922 4.4226 4.4226 4.4378 4.4378 4.6710 4.6710 4.6853 4.6853 4.9726 4.9726 4.9758 4.9758 5.3782 5.3782 5.3823 5.3823 5.5155 5.5155 5.5176 5.5176 6.0768 6.0768 6.0813 6.0813 7.0537 7.0537 7.0777 7.0777 7.7402 7.7402 7.7961 7.7961 10.1640 10.1640 10.2078 10.2078 10.4332 10.4332 10.4411 10.4411 10.8518 10.8518 k = 0.0780 0.1351 0.2565 ( 5550 PWs) bands (ev): -27.3071 -27.3071 -27.3071 -27.3071 -10.1293 -10.1293 -10.1292 -10.1292 -9.0194 -9.0194 -9.0193 -9.0193 -8.9622 -8.9622 -8.9622 -8.9622 -1.5126 -1.5126 -1.5123 -1.5123 4.4497 4.4497 4.4635 4.4635 4.6624 4.6624 4.6757 4.6757 4.9685 4.9685 4.9710 4.9710 5.3777 5.3777 5.3806 5.3806 5.5122 5.5122 5.5140 5.5140 6.0578 6.0578 6.0616 6.0616 7.1639 7.1639 7.1884 7.1884 7.8062 7.8062 7.8591 7.8591 10.1621 10.1621 10.2021 10.2021 10.4396 10.4396 10.4508 10.4508 10.8519 10.8519 k = 0.0709 0.1228 0.2565 ( 5550 PWs) bands (ev): -27.3072 -27.3072 -27.3072 -27.3072 -10.1285 -10.1285 -10.1284 -10.1284 -9.0191 -9.0191 -9.0191 -9.0191 -8.9602 -8.9602 -8.9602 -8.9602 -1.5310 -1.5310 -1.5308 -1.5308 4.4750 4.4750 4.4874 4.4874 4.6544 4.6544 4.6666 4.6666 4.9642 4.9642 4.9662 4.9662 5.3770 5.3770 5.3790 5.3790 5.5090 5.5090 5.5106 5.5106 6.0402 6.0402 6.0432 6.0432 7.2767 7.2767 7.3014 7.3014 7.8689 7.8689 7.9182 7.9182 10.1391 10.1391 10.1739 10.1739 10.4523 10.4523 10.4658 10.4658 10.8588 10.8588 k = 0.0638 0.1106 0.2565 ( 5546 PWs) bands (ev): -27.3074 -27.3074 -27.3074 -27.3074 -10.1277 -10.1277 -10.1277 -10.1277 -9.0189 -9.0189 -9.0188 -9.0188 -8.9583 -8.9583 -8.9583 -8.9583 -1.5479 -1.5479 -1.5477 -1.5477 4.4985 4.4985 4.5095 4.5095 4.6472 4.6472 4.6583 4.6583 4.9598 4.9598 4.9614 4.9614 5.3761 5.3761 5.3775 5.3775 5.5060 5.5060 5.5073 5.5073 6.0240 6.0240 6.0263 6.0263 7.3912 7.3912 7.4154 7.4154 7.9280 7.9280 7.9733 7.9733 10.0960 10.0960 10.1255 10.1255 10.4717 10.4717 10.4857 10.4857 10.8665 10.8665 k = 0.0567 0.0983 0.2565 ( 5540 PWs) bands (ev): -27.3075 -27.3075 -27.3075 -27.3075 -10.1270 -10.1270 -10.1270 -10.1270 -9.0187 -9.0187 -9.0187 -9.0187 -8.9565 -8.9565 -8.9565 -8.9565 -1.5632 -1.5632 -1.5631 -1.5631 4.5200 4.5200 4.5296 4.5296 4.6409 4.6409 4.6506 4.6506 4.9554 4.9554 4.9566 4.9566 5.3751 5.3751 5.3760 5.3760 5.5031 5.5031 5.5041 5.5041 6.0094 6.0094 6.0111 6.0111 7.5060 7.5060 7.5295 7.5295 7.9832 7.9832 8.0240 8.0240 10.0360 10.0360 10.0599 10.0599 10.4975 10.4975 10.5107 10.5107 10.8693 10.8693 k = 0.0496 0.0860 0.2565 ( 5544 PWs) bands (ev): -27.3076 -27.3076 -27.3076 -27.3076 -10.1264 -10.1264 -10.1264 -10.1264 -9.0185 -9.0185 -9.0185 -9.0185 -8.9550 -8.9550 -8.9549 -8.9549 -1.5768 -1.5768 -1.5767 -1.5767 4.5393 4.5393 4.5476 4.5476 4.6353 4.6353 4.6437 4.6437 4.9511 4.9511 4.9519 4.9519 5.3741 5.3741 5.3746 5.3746 5.5005 5.5005 5.5012 5.5012 5.9965 5.9965 5.9976 5.9976 7.6197 7.6197 7.6417 7.6417 8.0345 8.0345 8.0703 8.0703 9.9626 9.9626 9.9812 9.9812 10.5292 10.5292 10.5408 10.5408 10.8646 10.8646 k = 0.0426 0.0737 0.2565 ( 5540 PWs) bands (ev): -27.3077 -27.3077 -27.3077 -27.3077 -10.1259 -10.1259 -10.1259 -10.1259 -9.0184 -9.0184 -9.0184 -9.0184 -8.9535 -8.9535 -8.9535 -8.9535 -1.5886 -1.5886 -1.5886 -1.5886 4.5564 4.5564 4.5633 4.5633 4.6308 4.6308 4.6378 4.6378 4.9469 4.9469 4.9474 4.9474 5.3731 5.3731 5.3734 5.3734 5.4982 5.4982 5.4987 5.4987 5.9852 5.9852 5.9859 5.9859 7.7300 7.7300 7.7499 7.7499 8.0823 8.0823 8.1125 8.1125 9.8802 9.8802 9.8937 9.8937 10.5660 10.5660 10.5758 10.5758 10.8539 10.8539 k = 0.0355 0.0614 0.2565 ( 5548 PWs) bands (ev): -27.3078 -27.3078 -27.3078 -27.3078 -10.1255 -10.1255 -10.1255 -10.1255 -9.0183 -9.0183 -9.0183 -9.0183 -8.9523 -8.9523 -8.9523 -8.9523 -1.5988 -1.5988 -1.5987 -1.5987 4.5710 4.5710 4.5763 4.5763 4.6274 4.6274 4.6329 4.6329 4.9430 4.9430 4.9433 4.9433 5.3722 5.3722 5.3723 5.3723 5.4961 5.4961 5.4965 5.4965 5.9757 5.9757 5.9761 5.9761 7.8338 7.8338 7.8505 7.8505 8.1274 8.1274 8.1511 8.1511 9.7931 9.7931 9.8023 9.8023 10.6073 10.6073 10.6151 10.6151 10.8404 10.8404 k = 0.0284 0.0491 0.2565 ( 5560 PWs) bands (ev): -27.3078 -27.3078 -27.3078 -27.3078 -10.1251 -10.1251 -10.1251 -10.1251 -9.0183 -9.0183 -9.0182 -9.0182 -8.9513 -8.9513 -8.9513 -8.9513 -1.6071 -1.6071 -1.6071 -1.6071 4.5829 4.5829 4.5866 4.5866 4.6253 4.6253 4.6291 4.6291 4.9395 4.9395 4.9397 4.9397 5.3713 5.3713 5.3713 5.3713 5.4944 5.4944 5.4946 5.4946 5.9678 5.9678 5.9680 5.9680 7.9265 7.9265 7.9387 7.9387 8.1711 8.1711 8.1876 8.1876 9.7068 9.7068 9.7122 9.7122 10.6517 10.6517 10.6577 10.6577 10.8272 10.8272 k = 0.0213 0.0369 0.2565 ( 5580 PWs) bands (ev): -27.3079 -27.3079 -27.3079 -27.3079 -10.1248 -10.1248 -10.1248 -10.1248 -9.0182 -9.0182 -9.0182 -9.0182 -8.9505 -8.9505 -8.9505 -8.9505 -1.6136 -1.6136 -1.6136 -1.6136 4.5917 4.5917 4.5937 4.5937 4.6246 4.6246 4.6267 4.6267 4.9366 4.9366 4.9366 4.9366 5.3705 5.3705 5.3706 5.3706 5.4930 5.4930 5.4931 5.4931 5.9617 5.9617 5.9618 5.9618 8.0021 8.0021 8.0090 8.0090 8.2143 8.2143 8.2234 8.2234 9.6270 9.6270 9.6297 9.6297 10.6973 10.6973 10.7016 10.7016 10.8164 10.8164 k = 0.0142 0.0246 0.2565 ( 5580 PWs) bands (ev): -27.3079 -27.3079 -27.3079 -27.3079 -10.1246 -10.1246 -10.1246 -10.1246 -9.0182 -9.0182 -9.0182 -9.0182 -8.9499 -8.9499 -8.9499 -8.9499 -1.6182 -1.6182 -1.6182 -1.6182 4.5973 4.5973 4.5981 4.5981 4.6250 4.6250 4.6258 4.6258 4.9344 4.9344 4.9344 4.9344 5.3700 5.3700 5.3700 5.3700 5.4920 5.4920 5.4920 5.4920 5.9573 5.9573 5.9574 5.9574 8.0553 8.0553 8.0578 8.0578 8.2546 8.2546 8.2578 8.2578 9.5611 9.5611 9.5620 9.5620 10.7399 10.7399 10.7423 10.7423 10.8099 10.8099 k = 0.0071 0.0123 0.2565 ( 5580 PWs) bands (ev): -27.3080 -27.3080 -27.3080 -27.3080 -10.1245 -10.1245 -10.1245 -10.1245 -9.0181 -9.0181 -9.0181 -9.0181 -8.9496 -8.9496 -8.9496 -8.9496 -1.6210 -1.6210 -1.6210 -1.6210 4.6001 4.6001 4.6002 4.6002 4.6258 4.6258 4.6259 4.6259 4.9330 4.9330 4.9330 4.9330 5.3697 5.3697 5.3697 5.3697 5.4914 5.4914 5.4914 5.4914 5.9547 5.9547 5.9547 5.9547 8.0851 8.0851 8.0855 8.0855 8.2844 8.2844 8.2849 8.2849 9.5169 9.5169 9.5170 9.5170 10.7701 10.7701 10.7707 10.7707 10.8105 10.8108 k = 0.0000 0.0000 0.2565 ( 5580 PWs) bands (ev): -27.3080 -27.3080 -27.3080 -27.3080 -10.1244 -10.1244 -10.1244 -10.1244 -9.0181 -9.0181 -9.0181 -9.0181 -8.9495 -8.9495 -8.9495 -8.9495 -1.6220 -1.6220 -1.6220 -1.6220 4.6008 4.6008 4.6008 4.6008 4.6261 4.6261 4.6261 4.6261 4.9325 4.9325 4.9325 4.9325 5.3696 5.3696 5.3696 5.3696 5.4912 5.4912 5.4912 5.4912 5.9538 5.9538 5.9538 5.9538 8.0944 8.0944 8.0944 8.0944 8.2955 8.2955 8.2955 8.2955 9.5012 9.5012 9.5012 9.5012 10.7790 10.7790 10.7790 10.7790 10.8144 10.8144 k = 0.5000 0.2887 0.2565 ( 5540 PWs) bands (ev): -27.3029 -27.3029 -27.3029 -27.3029 -10.1547 -10.1547 -10.1547 -10.1547 -9.0516 -9.0516 -9.0516 -9.0516 -8.9932 -8.9932 -8.9932 -8.9932 -0.8462 -0.8462 -0.8462 -0.8462 3.4095 3.4095 3.4095 3.4095 4.9724 4.9724 4.9724 4.9724 5.0688 5.0688 5.0688 5.0688 5.3757 5.3757 5.3757 5.3757 5.4464 5.4464 5.4464 5.4464 5.5782 5.5782 5.5782 5.5782 6.5450 6.5450 6.5450 6.5450 7.0924 7.0924 7.0924 7.0924 8.7316 8.7316 8.7316 8.7316 9.8966 9.8966 9.8966 9.8966 12.7414 12.7414 k = 0.5000 0.2887 0.2423 ( 5536 PWs) bands (ev): -27.3031 -27.3031 -27.3028 -27.3028 -10.1554 -10.1554 -10.1540 -10.1540 -9.0522 -9.0522 -9.0512 -9.0512 -8.9945 -8.9945 -8.9918 -8.9918 -0.8541 -0.8541 -0.8383 -0.8383 3.3802 3.3802 3.4396 3.4396 4.9649 4.9649 4.9798 4.9798 5.0682 5.0682 5.0694 5.0694 5.3744 5.3744 5.3769 5.3769 5.4428 5.4428 5.4499 5.4499 5.5772 5.5772 5.5790 5.5790 6.5257 6.5257 6.5643 6.5643 7.0801 7.0801 7.1017 7.1017 8.7113 8.7113 8.7490 8.7490 9.8993 9.8993 9.9082 9.9082 12.6790 12.6790 k = 0.5000 0.2887 0.2280 ( 5532 PWs) bands (ev): -27.3032 -27.3032 -27.3026 -27.3026 -10.1561 -10.1561 -10.1533 -10.1533 -9.0529 -9.0529 -9.0508 -9.0508 -8.9956 -8.9956 -8.9903 -8.9903 -0.8620 -0.8620 -0.8304 -0.8304 3.3519 3.3519 3.4704 3.4704 4.9574 4.9574 4.9872 4.9872 5.0677 5.0677 5.0699 5.0699 5.3731 5.3731 5.3781 5.3781 5.4393 5.4393 5.4535 5.4535 5.5762 5.5762 5.5798 5.5798 6.5066 6.5066 6.5835 6.5835 7.0653 7.0653 7.1073 7.1073 8.6897 8.6897 8.7619 8.7619 9.9151 9.9151 9.9347 9.9347 12.6182 12.6182 k = 0.5000 0.2887 0.2138 ( 5554 PWs) bands (ev): -27.3034 -27.3034 -27.3024 -27.3024 -10.1568 -10.1568 -10.1526 -10.1526 -9.0538 -9.0538 -9.0506 -9.0506 -8.9966 -8.9966 -8.9886 -8.9886 -0.8698 -0.8698 -0.8226 -0.8226 3.3246 3.3246 3.5016 3.5016 4.9497 4.9497 4.9944 4.9944 5.0671 5.0671 5.0704 5.0704 5.3716 5.3716 5.3790 5.3790 5.4358 5.4358 5.4570 5.4570 5.5750 5.5750 5.5804 5.5804 6.4878 6.4878 6.6022 6.6022 7.0485 7.0485 7.1089 7.1089 8.6687 8.6687 8.7694 8.7694 9.9422 9.9422 9.9763 9.9763 12.5596 12.5596 k = 0.5000 0.2887 0.1995 ( 5554 PWs) bands (ev): -27.3035 -27.3035 -27.3023 -27.3023 -10.1575 -10.1575 -10.1520 -10.1520 -9.0547 -9.0547 -9.0505 -9.0505 -8.9974 -8.9974 -8.9869 -8.9869 -0.8774 -0.8774 -0.8151 -0.8151 3.2986 3.2986 3.5330 3.5330 4.9419 4.9419 5.0015 5.0015 5.0665 5.0665 5.0709 5.0709 5.3701 5.3701 5.3800 5.3800 5.4324 5.4324 5.4604 5.4604 5.5738 5.5738 5.5809 5.5809 6.4696 6.4696 6.6204 6.6204 7.0306 7.0306 7.1064 7.1064 8.6500 8.6500 8.7715 8.7715 9.9788 9.9788 10.0329 10.0329 12.5037 12.5037 k = 0.5000 0.2887 0.1853 ( 5554 PWs) bands (ev): -27.3037 -27.3037 -27.3021 -27.3021 -10.1582 -10.1582 -10.1514 -10.1514 -9.0557 -9.0557 -9.0505 -9.0505 -8.9980 -8.9980 -8.9851 -8.9851 -0.8848 -0.8848 -0.8078 -0.8078 3.2739 3.2739 3.5645 3.5645 4.9341 4.9341 5.0087 5.0087 5.0659 5.0659 5.0714 5.0714 5.3685 5.3685 5.3808 5.3808 5.4290 5.4290 5.4638 5.4638 5.5724 5.5724 5.5813 5.5813 6.4520 6.4520 6.6377 6.6377 7.0120 7.0120 7.0997 7.0997 8.6346 8.6346 8.7685 8.7685 10.0228 10.0228 10.1039 10.1039 12.4506 12.4506 k = 0.5000 0.2887 0.1710 ( 5552 PWs) bands (ev): -27.3038 -27.3038 -27.3020 -27.3020 -10.1588 -10.1588 -10.1508 -10.1508 -9.0568 -9.0568 -9.0506 -9.0506 -8.9985 -8.9985 -8.9832 -8.9832 -0.8918 -0.8918 -0.8007 -0.8007 3.2506 3.2506 3.5957 3.5957 4.9263 4.9263 5.0156 5.0156 5.0654 5.0654 5.0719 5.0719 5.3669 5.3669 5.3816 5.3816 5.4258 5.4258 5.4672 5.4672 5.5710 5.5710 5.5817 5.5817 6.4352 6.4352 6.6540 6.6540 6.9936 6.9936 7.0891 7.0891 8.6233 8.6233 8.7615 8.7615 10.0724 10.0724 10.1878 10.1878 12.4006 12.4006 k = 0.5000 0.2887 0.1568 ( 5552 PWs) bands (ev): -27.3040 -27.3040 -27.3018 -27.3018 -10.1595 -10.1595 -10.1503 -10.1503 -9.0579 -9.0579 -9.0507 -9.0507 -8.9989 -8.9989 -8.9814 -8.9814 -0.8985 -0.8985 -0.7940 -0.7940 3.2289 3.2289 3.6264 3.6264 4.9183 4.9183 5.0225 5.0225 5.0648 5.0648 5.0724 5.0724 5.3652 5.3652 5.3824 5.3824 5.4226 5.4226 5.4705 5.4705 5.5694 5.5694 5.5821 5.5821 6.4193 6.4193 6.6688 6.6688 6.9757 6.9757 7.0751 7.0751 8.6163 8.6163 8.7514 8.7514 10.1262 10.1262 10.2833 10.2833 12.3539 12.3539 k = 0.5000 0.2887 0.1425 ( 5550 PWs) bands (ev): -27.3041 -27.3041 -27.3017 -27.3017 -10.1601 -10.1601 -10.1497 -10.1497 -9.0590 -9.0590 -9.0509 -9.0509 -8.9991 -8.9991 -8.9797 -8.9797 -0.9049 -0.9049 -0.7878 -0.7878 3.2087 3.2087 3.6563 3.6563 4.9104 4.9104 5.0290 5.0290 5.0643 5.0643 5.0729 5.0729 5.3636 5.3636 5.3830 5.3830 5.4195 5.4195 5.4736 5.4736 5.5678 5.5678 5.5824 5.5824 6.4044 6.4044 6.6821 6.6821 6.9591 6.9591 7.0584 7.0584 8.6135 8.6135 8.7393 8.7393 10.1827 10.1827 10.3886 10.3886 12.3107 12.3107 k = 0.5000 0.2887 0.1283 ( 5542 PWs) bands (ev): -27.3042 -27.3042 -27.3016 -27.3016 -10.1607 -10.1607 -10.1493 -10.1493 -9.0601 -9.0601 -9.0511 -9.0511 -8.9993 -8.9993 -8.9780 -8.9780 -0.9108 -0.9108 -0.7819 -0.7819 3.1903 3.1903 3.6851 3.6851 4.9026 4.9026 5.0352 5.0352 5.0638 5.0638 5.0735 5.0735 5.3620 5.3620 5.3836 5.3836 5.4165 5.4165 5.4766 5.4766 5.5662 5.5662 5.5827 5.5827 6.3906 6.3906 6.6934 6.6934 6.9441 6.9441 7.0398 7.0398 8.6143 8.6143 8.7263 8.7263 10.2405 10.2405 10.5022 10.5022 12.2710 12.2710 k = 0.5000 0.2887 0.1140 ( 5538 PWs) bands (ev): -27.3043 -27.3043 -27.3015 -27.3015 -10.1612 -10.1612 -10.1489 -10.1489 -9.0612 -9.0612 -9.0513 -9.0513 -8.9994 -8.9994 -8.9764 -8.9764 -0.9161 -0.9161 -0.7766 -0.7766 3.1736 3.1736 3.7123 3.7123 4.8949 4.8949 5.0411 5.0411 5.0634 5.0634 5.0740 5.0740 5.3604 5.3604 5.3842 5.3842 5.4138 5.4138 5.4795 5.4795 5.5645 5.5645 5.5829 5.5829 6.3781 6.3781 6.7026 6.7026 6.9313 6.9313 7.0201 7.0201 8.6179 8.6179 8.7132 8.7132 10.2983 10.2983 10.6228 10.6228 12.2351 12.2351 k = 0.5000 0.2887 0.0998 ( 5542 PWs) bands (ev): -27.3044 -27.3044 -27.3014 -27.3014 -10.1617 -10.1617 -10.1485 -10.1485 -9.0622 -9.0622 -9.0516 -9.0516 -8.9994 -8.9994 -8.9749 -8.9749 -0.9210 -0.9210 -0.7718 -0.7718 3.1588 3.1588 3.7377 3.7377 4.8875 4.8875 5.0464 5.0464 5.0630 5.0630 5.0745 5.0745 5.3589 5.3589 5.3846 5.3846 5.4112 5.4112 5.4821 5.4821 5.5629 5.5629 5.5830 5.5830 6.3668 6.3668 6.7096 6.7096 6.9208 6.9208 7.0003 7.0003 8.6236 8.6236 8.7008 8.7008 10.3545 10.3545 10.7488 10.7488 12.2031 12.2031 k = 0.5000 0.2887 0.0855 ( 5556 PWs) bands (ev): -27.3045 -27.3045 -27.3013 -27.3013 -10.1621 -10.1621 -10.1481 -10.1481 -9.0631 -9.0631 -9.0518 -9.0518 -8.9994 -8.9994 -8.9736 -8.9736 -0.9253 -0.9253 -0.7675 -0.7675 3.1458 3.1458 3.7607 3.7607 4.8805 4.8805 5.0511 5.0511 5.0627 5.0627 5.0751 5.0751 5.3575 5.3575 5.3851 5.3851 5.4087 5.4087 5.4845 5.4845 5.5613 5.5613 5.5831 5.5831 6.3569 6.3569 6.7143 6.7143 6.9127 6.9127 6.9813 6.9813 8.6299 8.6299 8.6899 8.6899 10.4078 10.4078 10.8789 10.8789 12.1750 12.1750 k = 0.5000 0.2887 0.0713 ( 5564 PWs) bands (ev): -27.3046 -27.3046 -27.3012 -27.3012 -10.1625 -10.1625 -10.1479 -10.1479 -9.0639 -9.0639 -9.0520 -9.0520 -8.9994 -8.9994 -8.9725 -8.9725 -0.9290 -0.9290 -0.7639 -0.7639 3.1347 3.1347 3.7812 3.7812 4.8741 4.8741 5.0550 5.0550 5.0624 5.0624 5.0758 5.0758 5.3562 5.3562 5.3855 5.3855 5.4066 5.4066 5.4866 5.4866 5.5598 5.5598 5.5832 5.5832 6.3483 6.3483 6.7172 6.7172 6.9070 6.9070 6.9637 6.9637 8.6357 8.6357 8.6815 8.6815 10.4565 10.4565 11.0114 11.0114 12.1511 12.1511 k = 0.5000 0.2887 0.0570 ( 5558 PWs) bands (ev): -27.3047 -27.3047 -27.3012 -27.3012 -10.1628 -10.1628 -10.1476 -10.1476 -9.0645 -9.0645 -9.0522 -9.0522 -8.9994 -8.9994 -8.9715 -8.9715 -0.9320 -0.9320 -0.7609 -0.7609 3.1256 3.1256 3.7985 3.7985 4.8686 4.8686 5.0580 5.0580 5.0624 5.0624 5.0765 5.0765 5.3552 5.3552 5.3859 5.3859 5.4048 5.4048 5.4884 5.4884 5.5586 5.5586 5.5833 5.5833 6.3413 6.3413 6.7185 6.7185 6.9033 6.9033 6.9484 6.9484 8.6393 8.6393 8.6765 8.6765 10.4993 10.4993 11.1440 11.1440 12.1313 12.1313 k = 0.5000 0.2887 0.0428 ( 5558 PWs) bands (ev): -27.3047 -27.3047 -27.3011 -27.3011 -10.1630 -10.1630 -10.1475 -10.1475 -9.0651 -9.0651 -9.0524 -9.0524 -8.9993 -8.9993 -8.9707 -8.9707 -0.9344 -0.9344 -0.7585 -0.7585 3.1185 3.1185 3.8124 3.8124 4.8641 4.8641 5.0599 5.0599 5.0628 5.0628 5.0772 5.0772 5.3543 5.3543 5.3862 5.3862 5.4033 5.4033 5.4898 5.4898 5.5575 5.5575 5.5833 5.5833 6.3358 6.3358 6.7188 6.7188 6.9012 6.9012 6.9358 6.9358 8.6400 8.6400 8.6755 8.6755 10.5344 10.5344 11.2731 11.2731 12.1158 12.1158 k = 0.5000 0.2887 0.0285 ( 5550 PWs) bands (ev): -27.3047 -27.3047 -27.3011 -27.3011 -10.1632 -10.1632 -10.1473 -10.1473 -9.0655 -9.0655 -9.0525 -9.0525 -8.9993 -8.9993 -8.9702 -8.9702 -0.9362 -0.9362 -0.7568 -0.7568 3.1134 3.1134 3.8226 3.8226 4.8607 4.8607 5.0606 5.0606 5.0637 5.0637 5.0779 5.0779 5.3537 5.3537 5.3864 5.3864 5.4022 5.4022 5.4909 5.4909 5.5567 5.5567 5.5834 5.5834 6.3318 6.3318 6.7185 6.7185 6.9001 6.9001 6.9264 6.9264 8.6387 8.6387 8.6768 8.6768 10.5607 10.5607 11.3919 11.3919 12.1042 12.1042 k = 0.5000 0.2887 0.0143 ( 5552 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0657 -9.0657 -9.0525 -9.0525 -8.9992 -8.9992 -8.9699 -8.9699 -0.9372 -0.9372 -0.7557 -0.7557 3.1103 3.1103 3.8289 3.8289 4.8586 4.8586 5.0607 5.0607 5.0644 5.0644 5.0784 5.0784 5.3533 5.3533 5.3866 5.3866 5.4015 5.4015 5.4916 5.4916 5.5562 5.5562 5.5834 5.5834 6.3295 6.3295 6.7182 6.7182 6.8996 6.8996 6.9206 6.9206 8.6372 8.6372 8.6784 8.6784 10.5769 10.5769 11.4850 11.4850 12.0915 12.0915 k = 0.5000 0.2887-0.0000 ( 5550 PWs) bands (ev): -27.3048 -27.3048 -27.3011 -27.3011 -10.1633 -10.1633 -10.1472 -10.1472 -9.0658 -9.0658 -9.0526 -9.0526 -8.9992 -8.9992 -8.9697 -8.9697 -0.9376 -0.9376 -0.7554 -0.7554 3.1093 3.1093 3.8309 3.8309 4.8579 4.8579 5.0608 5.0608 5.0646 5.0646 5.0786 5.0786 5.3531 5.3531 5.3867 5.3867 5.4013 5.4013 5.4918 5.4918 5.5561 5.5561 5.5835 5.5835 6.3287 6.3287 6.7181 6.7181 6.8995 6.8995 6.9186 6.9186 8.6367 8.6367 8.6790 8.6790 10.5824 10.5824 11.5231 11.5231 12.0641 12.0641 k = 0.3333 0.5774-0.0000 ( 5529 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1509 -10.1509 -9.0513 -9.0513 -9.0505 -9.0505 -9.0227 -9.0227 -8.9850 -8.9850 -0.7400 -0.7400 -0.7308 -0.7308 3.5504 3.5504 3.7142 3.7142 4.4689 4.4689 4.9662 4.9662 5.0290 5.0290 5.1844 5.1844 5.2605 5.2605 5.3782 5.3782 5.3918 5.3918 5.5258 5.5258 5.5508 5.5508 5.5882 5.5882 5.6070 5.6070 5.7059 5.7059 6.9802 6.9802 6.9947 6.9947 9.5538 9.5538 9.5628 9.5628 11.0162 11.0162 11.1385 11.1385 11.4410 11.4410 k = 0.3333 0.5774 0.0143 ( 5517 PWs) bands (ev): -27.3041 -27.3041 -27.3004 -27.3004 -10.1653 -10.1653 -10.1510 -10.1510 -9.0512 -9.0512 -9.0503 -9.0503 -9.0227 -9.0227 -8.9852 -8.9852 -0.7400 -0.7400 -0.7307 -0.7307 3.5504 3.5504 3.7142 3.7142 4.4704 4.4704 4.9660 4.9660 5.0288 5.0288 5.1843 5.1843 5.2603 5.2603 5.3781 5.3781 5.3919 5.3919 5.5257 5.5257 5.5495 5.5495 5.5874 5.5874 5.6075 5.6075 5.7059 5.7059 6.9816 6.9816 6.9962 6.9962 9.5476 9.5476 9.5566 9.5566 11.0240 11.0240 11.1462 11.1462 11.4450 11.4450 k = 0.3333 0.5774 0.0285 ( 5517 PWs) bands (ev): -27.3041 -27.3041 -27.3005 -27.3005 -10.1652 -10.1652 -10.1510 -10.1510 -9.0511 -9.0511 -9.0500 -9.0500 -9.0229 -9.0229 -8.9856 -8.9856 -0.7400 -0.7400 -0.7307 -0.7307 3.5504 3.5504 3.7142 3.7142 4.4748 4.4748 4.9655 4.9655 5.0282 5.0282 5.1838 5.1838 5.2596 5.2596 5.3778 5.3778 5.3920 5.3920 5.5256 5.5256 5.5455 5.5455 5.5855 5.5855 5.6084 5.6084 5.7059 5.7059 6.9857 6.9857 7.0006 7.0006 9.5294 9.5294 9.5385 9.5385 11.0469 11.0469 11.1689 11.1689 11.4569 11.4569 k = 0.3333 0.5774 0.0428 ( 5532 PWs) bands (ev): -27.3041 -27.3041 -27.3005 -27.3005 -10.1650 -10.1650 -10.1512 -10.1512 -9.0508 -9.0508 -9.0494 -9.0494 -9.0231 -9.0231 -8.9862 -8.9862 -0.7400 -0.7400 -0.7307 -0.7307 3.5504 3.5504 3.7141 3.7141 4.4821 4.4821 4.9646 4.9646 5.0271 5.0271 5.1831 5.1831 5.2582 5.2582 5.3771 5.3771 5.3922 5.3922 5.5253 5.5253 5.5383 5.5383 5.5835 5.5835 5.6095 5.6095 5.7058 5.7058 6.9925 6.9925 7.0078 7.0078 9.5006 9.5006 9.5097 9.5097 11.0836 11.0836 11.2054 11.2054 11.4765 11.4765 k = 0.3333 0.5774 0.0570 ( 5541 PWs) bands (ev): -27.3040 -27.3040 -27.3005 -27.3005 -10.1648 -10.1648 -10.1513 -10.1513 -9.0504 -9.0504 -9.0486 -9.0486 -9.0235 -9.0235 -8.9871 -8.9871 -0.7399 -0.7399 -0.7307 -0.7307 3.5504 3.5504 3.7139 3.7139 4.4923 4.4923 4.9634 4.9634 5.0256 5.0256 5.1820 5.1820 5.2561 5.2561 5.3762 5.3762 5.3925 5.3925 5.5248 5.5248 5.5280 5.5280 5.5818 5.5818 5.6103 5.6103 5.7057 5.7057 7.0018 7.0018 7.0177 7.0177 9.4627 9.4627 9.4721 9.4721 11.1323 11.1323 11.2541 11.2541 11.5036 11.5036 k = 0.3333 0.5774 0.0713 ( 5526 PWs) bands (ev): -27.3039 -27.3039 -27.3006 -27.3006 -10.1645 -10.1645 -10.1515 -10.1515 -9.0500 -9.0500 -9.0476 -9.0476 -9.0240 -9.0240 -8.9883 -8.9883 -0.7399 -0.7399 -0.7306 -0.7306 3.5504 3.5504 3.7138 3.7138 4.5053 4.5053 4.9619 4.9619 5.0239 5.0239 5.1807 5.1807 5.2532 5.2532 5.3752 5.3752 5.3929 5.3929 5.5151 5.5151 5.5244 5.5244 5.5809 5.5809 5.6110 5.6110 5.7057 5.7057 7.0134 7.0134 7.0301 7.0301 9.4179 9.4179 9.4279 9.4279 11.1911 11.1911 11.3128 11.3128 11.5377 11.5377 k = 0.3333 0.5774 0.0855 ( 5514 PWs) bands (ev): -27.3039 -27.3039 -27.3007 -27.3007 -10.1642 -10.1642 -10.1517 -10.1517 -9.0494 -9.0494 -9.0463 -9.0463 -9.0246 -9.0246 -8.9897 -8.9897 -0.7398 -0.7398 -0.7305 -0.7305 3.5504 3.5504 3.7136 3.7136 4.5210 4.5210 4.9603 4.9603 5.0219 5.0219 5.1791 5.1791 5.2491 5.2491 5.3739 5.3739 5.3933 5.3933 5.5001 5.5001 5.5238 5.5238 5.5804 5.5804 5.6115 5.6115 5.7056 5.7056 7.0270 7.0270 7.0446 7.0446 9.3680 9.3680 9.3790 9.3790 11.2578 11.2578 11.3799 11.3799 11.5784 11.5784 k = 0.3333 0.5774 0.0998 ( 5526 PWs) bands (ev): -27.3038 -27.3038 -27.3008 -27.3008 -10.1638 -10.1638 -10.1520 -10.1520 -9.0488 -9.0488 -9.0449 -9.0449 -9.0252 -9.0252 -8.9913 -8.9913 -0.7398 -0.7398 -0.7305 -0.7305 3.5504 3.5504 3.7134 3.7134 4.5392 4.5392 4.9584 4.9584 5.0197 5.0197 5.1769 5.1769 5.2434 5.2434 5.3722 5.3722 5.3936 5.3936 5.4840 5.4840 5.5232 5.5232 5.5802 5.5802 5.6116 5.6116 5.7054 5.7054 7.0423 7.0423 7.0611 7.0611 9.3151 9.3151 9.3273 9.3273 11.3308 11.3308 11.4534 11.4534 11.6250 11.6250 k = 0.3333 0.5774 0.1140 ( 5526 PWs) bands (ev): -27.3037 -27.3037 -27.3009 -27.3009 -10.1634 -10.1634 -10.1524 -10.1524 -9.0480 -9.0480 -9.0432 -9.0432 -9.0260 -9.0260 -8.9931 -8.9931 -0.7397 -0.7397 -0.7304 -0.7304 3.5504 3.5504 3.7132 3.7132 4.5599 4.5599 4.9564 4.9564 5.0174 5.0174 5.1741 5.1741 5.2361 5.2361 5.3704 5.3704 5.3940 5.3940 5.4678 5.4678 5.5225 5.5225 5.5802 5.5802 5.6117 5.6117 5.7053 5.7053 7.0590 7.0590 7.0791 7.0791 9.2607 9.2607 9.2745 9.2745 11.4085 11.4085 11.5319 11.5319 11.6766 11.6766 k = 0.3333 0.5774 0.1283 ( 5523 PWs) bands (ev): -27.3036 -27.3036 -27.3010 -27.3010 -10.1629 -10.1629 -10.1527 -10.1527 -9.0472 -9.0472 -9.0414 -9.0414 -9.0268 -9.0268 -8.9951 -8.9951 -0.7397 -0.7397 -0.7303 -0.7303 3.5504 3.5504 3.7130 3.7130 4.5827 4.5827 4.9544 4.9544 5.0150 5.0150 5.1700 5.1700 5.2270 5.2270 5.3682 5.3682 5.3943 5.3943 5.4524 5.4524 5.5218 5.5218 5.5805 5.5805 5.6116 5.6116 5.7052 5.7052 7.0765 7.0765 7.0981 7.0981 9.2065 9.2065 9.2221 9.2221 11.4896 11.4896 11.6138 11.6138 11.7321 11.7321 k = 0.3333 0.5774 0.1425 ( 5523 PWs) bands (ev): -27.3035 -27.3035 -27.3011 -27.3011 -10.1624 -10.1624 -10.1531 -10.1531 -9.0463 -9.0463 -9.0394 -9.0394 -9.0277 -9.0277 -8.9973 -8.9973 -0.7396 -0.7396 -0.7303 -0.7303 3.5504 3.5504 3.7128 3.7128 4.6075 4.6075 4.9524 4.9524 5.0126 5.0126 5.1637 5.1637 5.2169 5.2169 5.3657 5.3657 5.3946 5.3946 5.4387 5.4387 5.5212 5.5212 5.5808 5.5808 5.6115 5.6115 5.7051 5.7051 7.0945 7.0945 7.1176 7.1176 9.1538 9.1538 9.1714 9.1714 11.5728 11.5728 11.6977 11.6977 11.7898 11.7898 k = 0.3333 0.5774 0.1568 ( 5529 PWs) bands (ev): -27.3033 -27.3033 -27.3012 -27.3012 -10.1619 -10.1619 -10.1536 -10.1536 -9.0454 -9.0454 -9.0372 -9.0372 -9.0286 -9.0286 -8.9997 -8.9997 -0.7396 -0.7396 -0.7302 -0.7302 3.5504 3.5504 3.7125 3.7125 4.6339 4.6339 4.9504 4.9504 5.0103 5.0103 5.1535 5.1535 5.2072 5.2072 5.3630 5.3630 5.3948 5.3948 5.4273 5.4273 5.5206 5.5206 5.5812 5.5812 5.6113 5.6113 5.7049 5.7049 7.1124 7.1124 7.1371 7.1371 9.1038 9.1038 9.1235 9.1235 11.6570 11.6570 11.7810 11.7810 11.8447 11.8447 k = 0.3333 0.5774 0.1710 ( 5529 PWs) bands (ev): -27.3032 -27.3032 -27.3014 -27.3014 -10.1614 -10.1614 -10.1540 -10.1540 -9.0444 -9.0444 -9.0349 -9.0349 -9.0297 -9.0297 -9.0022 -9.0022 -0.7395 -0.7395 -0.7301 -0.7301 3.5504 3.5504 3.7123 3.7123 4.6614 4.6614 4.9486 4.9486 5.0083 5.0083 5.1382 5.1382 5.1996 5.1996 5.3603 5.3603 5.3950 5.3950 5.4185 5.4185 5.5200 5.5200 5.5816 5.5816 5.6110 5.6110 5.7048 5.7048 7.1296 7.1296 7.1559 7.1559 9.0577 9.0577 9.0796 9.0796 11.7409 11.7409 11.8541 11.8541 11.8949 11.8949 k = 0.3333 0.5774 0.1853 ( 5532 PWs) bands (ev): -27.3031 -27.3031 -27.3015 -27.3015 -10.1608 -10.1608 -10.1545 -10.1545 -9.0433 -9.0433 -9.0324 -9.0324 -9.0307 -9.0307 -9.0048 -9.0048 -0.7395 -0.7395 -0.7301 -0.7301 3.5504 3.5504 3.7122 3.7122 4.6895 4.6895 4.9470 4.9470 5.0065 5.0065 5.1180 5.1180 5.1945 5.1945 5.3577 5.3577 5.3950 5.3950 5.4119 5.4119 5.5195 5.5195 5.5820 5.5820 5.6107 5.6107 5.7047 5.7047 7.1455 7.1455 7.1734 7.1734 9.0166 9.0166 9.0405 9.0405 11.8233 11.8233 11.9016 11.9016 11.9592 11.9592 k = 0.3333 0.5774 0.1995 ( 5538 PWs) bands (ev): -27.3029 -27.3029 -27.3016 -27.3016 -10.1602 -10.1602 -10.1551 -10.1551 -9.0422 -9.0422 -9.0318 -9.0318 -9.0299 -9.0299 -9.0075 -9.0075 -0.7395 -0.7395 -0.7300 -0.7300 3.5504 3.5504 3.7120 3.7120 4.7173 4.7173 4.9455 4.9455 5.0052 5.0052 5.0947 5.0947 5.1912 5.1912 5.3554 5.3554 5.3950 5.3950 5.4074 5.4074 5.5191 5.5191 5.5823 5.5823 5.6105 5.6105 5.7046 5.7046 7.1595 7.1595 7.1889 7.1889 8.9813 8.9813 9.0072 9.0072 11.9021 11.9021 11.9393 11.9393 12.0034 12.0034 k = 0.3333 0.5774 0.2138 ( 5541 PWs) bands (ev): -27.3028 -27.3028 -27.3018 -27.3018 -10.1596 -10.1596 -10.1556 -10.1556 -9.0412 -9.0412 -9.0329 -9.0329 -9.0272 -9.0272 -9.0103 -9.0103 -0.7394 -0.7394 -0.7300 -0.7300 3.5504 3.5504 3.7119 3.7119 4.7434 4.7434 4.9444 4.9444 5.0045 5.0045 5.0708 5.0708 5.1892 5.1892 5.3536 5.3536 5.3949 5.3949 5.4044 5.4044 5.5187 5.5187 5.5826 5.5826 5.6103 5.6103 5.7045 5.7045 7.1711 7.1711 7.2018 7.2018 8.9529 8.9529 8.9804 8.9804 11.9740 11.9740 11.9745 11.9745 12.0362 12.0362 k = 0.3333 0.5774 0.2280 ( 5541 PWs) bands (ev): -27.3026 -27.3026 -27.3020 -27.3020 -10.1590 -10.1590 -10.1561 -10.1561 -9.0402 -9.0402 -9.0339 -9.0339 -9.0245 -9.0245 -9.0131 -9.0131 -0.7394 -0.7394 -0.7300 -0.7300 3.5504 3.5504 3.7118 3.7118 4.7658 4.7658 4.9435 4.9435 5.0047 5.0047 5.0487 5.0487 5.1879 5.1879 5.3523 5.3523 5.3947 5.3947 5.4025 5.4025 5.5185 5.5185 5.5828 5.5828 5.6101 5.6101 5.7045 5.7045 7.1798 7.1798 7.2114 7.2114 8.9321 8.9321 8.9607 8.9607 12.0054 12.0054 12.0358 12.0358 12.0551 12.0551 k = 0.3333 0.5774 0.2423 ( 5541 PWs) bands (ev): -27.3024 -27.3024 -27.3021 -27.3021 -10.1586 -10.1586 -10.1566 -10.1566 -9.0393 -9.0393 -9.0347 -9.0347 -9.0217 -9.0217 -9.0159 -9.0159 -0.7394 -0.7394 -0.7299 -0.7299 3.5504 3.5504 3.7117 3.7117 4.7815 4.7815 4.9430 4.9430 5.0063 5.0063 5.0315 5.0315 5.1872 5.1872 5.3515 5.3515 5.3945 5.3945 5.4016 5.4016 5.5184 5.5184 5.5830 5.5830 5.6100 5.6100 5.7044 5.7044 7.1852 7.1852 7.2174 7.2174 8.9193 8.9193 8.9488 8.9488 12.0317 12.0317 12.0597 12.0597 12.0786 12.0786 k = 0.3333 0.5774 0.2565 ( 5526 PWs) bands (ev): -27.3023 -27.3023 -27.3023 -27.3023 -10.1583 -10.1583 -10.1568 -10.1568 -9.0390 -9.0390 -9.0351 -9.0351 -9.0193 -9.0193 -9.0183 -9.0183 -0.7394 -0.7394 -0.7299 -0.7299 3.5504 3.5504 3.7117 3.7117 4.7873 4.7873 4.9429 4.9429 5.0080 5.0080 5.0241 5.0241 5.1870 5.1870 5.3513 5.3513 5.3944 5.3944 5.4013 5.4013 5.5184 5.5184 5.5831 5.5831 5.6100 5.6100 5.7044 5.7044 7.1870 7.1870 7.2195 7.2195 8.9150 8.9150 8.9447 8.9447 12.0481 12.0481 12.0537 12.0537 12.0944 12.0944 Writing output data file SrCuSb.save init_run : 0.34s CPU 0.57s WALL ( 1 calls) electrons : 199.86s CPU 202.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 199.86s CPU 202.74s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 287 calls) cegterg : 183.18s CPU 185.22s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 91.84s CPU 92.92s WALL ( 6703 calls) s_psi : 9.60s CPU 9.76s WALL ( 6703 calls) g_psi : 0.32s CPU 0.34s WALL ( 6018 calls) cdiaghg : 69.67s CPU 70.48s WALL ( 6305 calls) cegterg:over : 9.42s CPU 9.34s WALL ( 6018 calls) cegterg:upda : 8.16s CPU 8.45s WALL ( 6018 calls) cegterg:last : 4.06s CPU 3.99s WALL ( 1042 calls) cdiaghg:chol : 3.91s CPU 4.05s WALL ( 6305 calls) cdiaghg:inve : 3.05s CPU 2.91s WALL ( 6305 calls) cdiaghg:para : 5.00s CPU 4.95s WALL ( 12610 calls) Called by h_psi: h_psi:vloc : 71.54s CPU 72.75s WALL ( 6703 calls) h_psi:vnl : 20.00s CPU 19.86s WALL ( 6703 calls) add_vuspsi : 10.94s CPU 11.02s WALL ( 6703 calls) General routines calbec : 9.03s CPU 8.82s WALL ( 6703 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.57s CPU 67.81s WALL ( 851212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 574 calls) Parallel routines fft_scatter : 24.51s CPU 25.20s WALL ( 851235 calls) PWSCF : 3m40.30s CPU 3m55.56s WALL This run was terminated on: 18: 0:28 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=