Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:46:26 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: ./KCuSe.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 33 22 6 2113 1128 180 Max 34 23 7 2122 1152 185 Sum 1189 793 235 76151 41057 6517 bravais-lattice index = 14 lattice parameter (alat) = 7.8991 a.u. unit-cell volume = 974.1550 (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 = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.899055 celldm(2)= 1.000000 celldm(3)= 2.282297 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.282297 ) 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 0.438155 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 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 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) K 9.00 39.09830 K( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.1411483 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.1411483 ) 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= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0033113 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0033113 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0033113 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0033113 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0033113 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033113 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0033113 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0033113 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0033113 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0033113 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0033113 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0033113 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0033113 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0033113 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0033113 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0033113 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0033113 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0033113 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0033113 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0033113 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0033113 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0033113 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0033113 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0033113 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0033113 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0033113 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0033113 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0033113 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0033113 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0033113 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0033113 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0033113 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0033113 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0033113 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0033113 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0033113 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0033113 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0033113 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033113 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0033113 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0033113 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0033113 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0033113 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0033113 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0033113 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0033113 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0033113 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033113 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0033113 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0033113 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0033113 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0033113 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0033113 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0033113 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0033113 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0033113 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0033113 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0033113 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0128869), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0257738), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0386607), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0515477), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.0644346), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.0773215), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.0902084), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.1030953), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.1159822), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.1288692), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.1417561), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.1546430), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.1675299), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.1804168), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.1933037), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.2061907), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.2190776), wk = 0.0033113 k( 143) = ( 0.0000000 0.0000000 0.2190776), wk = 0.0033113 k( 144) = ( 0.0113636 0.0065608 0.2190776), wk = 0.0033113 k( 145) = ( 0.0227273 0.0131216 0.2190776), wk = 0.0033113 k( 146) = ( 0.0340909 0.0196824 0.2190776), wk = 0.0033113 k( 147) = ( 0.0454546 0.0262432 0.2190776), wk = 0.0033113 k( 148) = ( 0.0568182 0.0328040 0.2190776), wk = 0.0033113 k( 149) = ( 0.0681818 0.0393648 0.2190776), wk = 0.0033113 k( 150) = ( 0.0795455 0.0459256 0.2190776), wk = 0.0033113 k( 151) = ( 0.0909091 0.0524864 0.2190776), wk = 0.0033113 k( 152) = ( 0.1022727 0.0590472 0.2190776), wk = 0.0033113 k( 153) = ( 0.1136364 0.0656080 0.2190776), wk = 0.0033113 k( 154) = ( 0.1250000 0.0721688 0.2190776), wk = 0.0033113 k( 155) = ( 0.1363636 0.0787296 0.2190776), wk = 0.0033113 k( 156) = ( 0.1477273 0.0852904 0.2190776), wk = 0.0033113 k( 157) = ( 0.1590909 0.0918512 0.2190776), wk = 0.0033113 k( 158) = ( 0.1704546 0.0984120 0.2190776), wk = 0.0033113 k( 159) = ( 0.1818182 0.1049728 0.2190776), wk = 0.0033113 k( 160) = ( 0.1931818 0.1115336 0.2190776), wk = 0.0033113 k( 161) = ( 0.2045454 0.1180944 0.2190776), wk = 0.0033113 k( 162) = ( 0.2159091 0.1246552 0.2190776), wk = 0.0033113 k( 163) = ( 0.2272727 0.1312160 0.2190776), wk = 0.0033113 k( 164) = ( 0.2386364 0.1377768 0.2190776), wk = 0.0033113 k( 165) = ( 0.2500000 0.1443376 0.2190776), wk = 0.0033113 k( 166) = ( 0.2613636 0.1508984 0.2190776), wk = 0.0033113 k( 167) = ( 0.2727273 0.1574592 0.2190776), wk = 0.0033113 k( 168) = ( 0.2840909 0.1640200 0.2190776), wk = 0.0033113 k( 169) = ( 0.2954545 0.1705808 0.2190776), wk = 0.0033113 k( 170) = ( 0.3068182 0.1771416 0.2190776), wk = 0.0033113 k( 171) = ( 0.3181818 0.1837024 0.2190776), wk = 0.0033113 k( 172) = ( 0.3295455 0.1902632 0.2190776), wk = 0.0033113 k( 173) = ( 0.3409091 0.1968240 0.2190776), wk = 0.0033113 k( 174) = ( 0.3522727 0.2033848 0.2190776), wk = 0.0033113 k( 175) = ( 0.3636364 0.2099456 0.2190776), wk = 0.0033113 k( 176) = ( 0.3750000 0.2165064 0.2190776), wk = 0.0033113 k( 177) = ( 0.3863636 0.2230672 0.2190776), wk = 0.0033113 k( 178) = ( 0.3977273 0.2296279 0.2190776), wk = 0.0033113 k( 179) = ( 0.4090909 0.2361887 0.2190776), wk = 0.0033113 k( 180) = ( 0.4204545 0.2427495 0.2190776), wk = 0.0033113 k( 181) = ( 0.4318182 0.2493103 0.2190776), wk = 0.0033113 k( 182) = ( 0.4431818 0.2558711 0.2190776), wk = 0.0033113 k( 183) = ( 0.4545455 0.2624319 0.2190776), wk = 0.0033113 k( 184) = ( 0.4659091 0.2689927 0.2190776), wk = 0.0033113 k( 185) = ( 0.4772727 0.2755535 0.2190776), wk = 0.0033113 k( 186) = ( 0.4886364 0.2821143 0.2190776), wk = 0.0033113 k( 187) = ( 0.5000000 0.2886751 0.2190776), wk = 0.0033113 k( 188) = ( 0.5000000 0.2886751 0.2190776), wk = 0.0033113 k( 189) = ( 0.4935897 0.2997780 0.2190776), wk = 0.0033113 k( 190) = ( 0.4871795 0.3108809 0.2190776), wk = 0.0033113 k( 191) = ( 0.4807692 0.3219838 0.2190776), wk = 0.0033113 k( 192) = ( 0.4743590 0.3330867 0.2190776), wk = 0.0033113 k( 193) = ( 0.4679487 0.3441896 0.2190776), wk = 0.0033113 k( 194) = ( 0.4615385 0.3552925 0.2190776), wk = 0.0033113 k( 195) = ( 0.4551282 0.3663954 0.2190776), wk = 0.0033113 k( 196) = ( 0.4487179 0.3774983 0.2190776), wk = 0.0033113 k( 197) = ( 0.4423077 0.3886011 0.2190776), wk = 0.0033113 k( 198) = ( 0.4358974 0.3997040 0.2190776), wk = 0.0033113 k( 199) = ( 0.4294872 0.4108069 0.2190776), wk = 0.0033113 k( 200) = ( 0.4230769 0.4219098 0.2190776), wk = 0.0033113 k( 201) = ( 0.4166667 0.4330127 0.2190776), wk = 0.0033113 k( 202) = ( 0.4102564 0.4441156 0.2190776), wk = 0.0033113 k( 203) = ( 0.4038462 0.4552185 0.2190776), wk = 0.0033113 k( 204) = ( 0.3974359 0.4663214 0.2190776), wk = 0.0033113 k( 205) = ( 0.3910256 0.4774243 0.2190776), wk = 0.0033113 k( 206) = ( 0.3846154 0.4885271 0.2190776), wk = 0.0033113 k( 207) = ( 0.3782051 0.4996300 0.2190776), wk = 0.0033113 k( 208) = ( 0.3717949 0.5107329 0.2190776), wk = 0.0033113 k( 209) = ( 0.3653846 0.5218358 0.2190776), wk = 0.0033113 k( 210) = ( 0.3589744 0.5329387 0.2190776), wk = 0.0033113 k( 211) = ( 0.3525641 0.5440416 0.2190776), wk = 0.0033113 k( 212) = ( 0.3461538 0.5551445 0.2190776), wk = 0.0033113 k( 213) = ( 0.3397436 0.5662474 0.2190776), wk = 0.0033113 k( 214) = ( 0.3333333 0.5773503 0.2190776), wk = 0.0033113 k( 215) = ( 0.3333333 0.5773503 0.2190776), wk = 0.0033113 k( 216) = ( 0.3267974 0.5660297 0.2190776), wk = 0.0033113 k( 217) = ( 0.3202614 0.5547091 0.2190776), wk = 0.0033113 k( 218) = ( 0.3137255 0.5433885 0.2190776), wk = 0.0033113 k( 219) = ( 0.3071895 0.5320679 0.2190776), wk = 0.0033113 k( 220) = ( 0.3006536 0.5207473 0.2190776), wk = 0.0033113 k( 221) = ( 0.2941177 0.5094267 0.2190776), wk = 0.0033113 k( 222) = ( 0.2875817 0.4981061 0.2190776), wk = 0.0033113 k( 223) = ( 0.2810457 0.4867855 0.2190776), wk = 0.0033113 k( 224) = ( 0.2745098 0.4754649 0.2190776), wk = 0.0033113 k( 225) = ( 0.2679739 0.4641443 0.2190776), wk = 0.0033113 k( 226) = ( 0.2614379 0.4528237 0.2190776), wk = 0.0033113 k( 227) = ( 0.2549020 0.4415031 0.2190776), wk = 0.0033113 k( 228) = ( 0.2483660 0.4301825 0.2190776), wk = 0.0033113 k( 229) = ( 0.2418301 0.4188620 0.2190776), wk = 0.0033113 k( 230) = ( 0.2352941 0.4075414 0.2190776), wk = 0.0033113 k( 231) = ( 0.2287582 0.3962208 0.2190776), wk = 0.0033113 k( 232) = ( 0.2222222 0.3849002 0.2190776), wk = 0.0033113 k( 233) = ( 0.2156863 0.3735796 0.2190776), wk = 0.0033113 k( 234) = ( 0.2091503 0.3622590 0.2190776), wk = 0.0033113 k( 235) = ( 0.2026144 0.3509384 0.2190776), wk = 0.0033113 k( 236) = ( 0.1960784 0.3396178 0.2190776), wk = 0.0033113 k( 237) = ( 0.1895425 0.3282972 0.2190776), wk = 0.0033113 k( 238) = ( 0.1830065 0.3169766 0.2190776), wk = 0.0033113 k( 239) = ( 0.1764706 0.3056560 0.2190776), wk = 0.0033113 k( 240) = ( 0.1699346 0.2943354 0.2190776), wk = 0.0033113 k( 241) = ( 0.1633987 0.2830148 0.2190776), wk = 0.0033113 k( 242) = ( 0.1568627 0.2716943 0.2190776), wk = 0.0033113 k( 243) = ( 0.1503268 0.2603737 0.2190776), wk = 0.0033113 k( 244) = ( 0.1437908 0.2490531 0.2190776), wk = 0.0033113 k( 245) = ( 0.1372549 0.2377325 0.2190776), wk = 0.0033113 k( 246) = ( 0.1307190 0.2264119 0.2190776), wk = 0.0033113 k( 247) = ( 0.1241830 0.2150913 0.2190776), wk = 0.0033113 k( 248) = ( 0.1176471 0.2037707 0.2190776), wk = 0.0033113 k( 249) = ( 0.1111111 0.1924501 0.2190776), wk = 0.0033113 k( 250) = ( 0.1045752 0.1811295 0.2190776), wk = 0.0033113 k( 251) = ( 0.0980392 0.1698089 0.2190776), wk = 0.0033113 k( 252) = ( 0.0915033 0.1584883 0.2190776), wk = 0.0033113 k( 253) = ( 0.0849673 0.1471677 0.2190776), wk = 0.0033113 k( 254) = ( 0.0784314 0.1358471 0.2190776), wk = 0.0033113 k( 255) = ( 0.0718954 0.1245265 0.2190776), wk = 0.0033113 k( 256) = ( 0.0653595 0.1132059 0.2190776), wk = 0.0033113 k( 257) = ( 0.0588235 0.1018853 0.2190776), wk = 0.0033113 k( 258) = ( 0.0522876 0.0905647 0.2190776), wk = 0.0033113 k( 259) = ( 0.0457516 0.0792441 0.2190776), wk = 0.0033113 k( 260) = ( 0.0392157 0.0679236 0.2190776), wk = 0.0033113 k( 261) = ( 0.0326797 0.0566030 0.2190776), wk = 0.0033113 k( 262) = ( 0.0261438 0.0452824 0.2190776), wk = 0.0033113 k( 263) = ( 0.0196078 0.0339618 0.2190776), wk = 0.0033113 k( 264) = ( 0.0130719 0.0226412 0.2190776), wk = 0.0033113 k( 265) = ( 0.0065359 0.0113206 0.2190776), wk = 0.0033113 k( 266) = ( 0.0000000 0.0000000 0.2190776), wk = 0.0033113 k( 267) = ( 0.5000000 0.2886751 0.2190776), wk = 0.0033113 k( 268) = ( 0.5000000 0.2886751 0.2061907), wk = 0.0033113 k( 269) = ( 0.5000000 0.2886751 0.1933037), wk = 0.0033113 k( 270) = ( 0.5000000 0.2886751 0.1804168), wk = 0.0033113 k( 271) = ( 0.5000000 0.2886751 0.1675299), wk = 0.0033113 k( 272) = ( 0.5000000 0.2886751 0.1546430), wk = 0.0033113 k( 273) = ( 0.5000000 0.2886751 0.1417561), wk = 0.0033113 k( 274) = ( 0.5000000 0.2886751 0.1288692), wk = 0.0033113 k( 275) = ( 0.5000000 0.2886751 0.1159822), wk = 0.0033113 k( 276) = ( 0.5000000 0.2886751 0.1030953), wk = 0.0033113 k( 277) = ( 0.5000000 0.2886751 0.0902084), wk = 0.0033113 k( 278) = ( 0.5000000 0.2886751 0.0773215), wk = 0.0033113 k( 279) = ( 0.5000000 0.2886751 0.0644346), wk = 0.0033113 k( 280) = ( 0.5000000 0.2886751 0.0515477), wk = 0.0033113 k( 281) = ( 0.5000000 0.2886751 0.0386607), wk = 0.0033113 k( 282) = ( 0.5000000 0.2886751 0.0257738), wk = 0.0033113 k( 283) = ( 0.5000000 0.2886751 0.0128869), wk = 0.0033113 k( 284) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 285) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 286) = ( 0.3333333 0.5773503 0.0128869), wk = 0.0033113 k( 287) = ( 0.3333333 0.5773503 0.0257738), wk = 0.0033113 k( 288) = ( 0.3333333 0.5773503 0.0386607), wk = 0.0033113 k( 289) = ( 0.3333333 0.5773503 0.0515477), wk = 0.0033113 k( 290) = ( 0.3333333 0.5773503 0.0644346), wk = 0.0033113 k( 291) = ( 0.3333333 0.5773503 0.0773215), wk = 0.0033113 k( 292) = ( 0.3333333 0.5773503 0.0902084), wk = 0.0033113 k( 293) = ( 0.3333333 0.5773503 0.1030953), wk = 0.0033113 k( 294) = ( 0.3333333 0.5773503 0.1159822), wk = 0.0033113 k( 295) = ( 0.3333333 0.5773503 0.1288692), wk = 0.0033113 k( 296) = ( 0.3333333 0.5773503 0.1417561), wk = 0.0033113 k( 297) = ( 0.3333333 0.5773503 0.1546430), wk = 0.0033113 k( 298) = ( 0.3333333 0.5773503 0.1675299), wk = 0.0033113 k( 299) = ( 0.3333333 0.5773503 0.1804168), wk = 0.0033113 k( 300) = ( 0.3333333 0.5773503 0.1933037), wk = 0.0033113 k( 301) = ( 0.3333333 0.5773503 0.2061907), wk = 0.0033113 k( 302) = ( 0.3333333 0.5773503 0.2190776), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0033113 k( 3) = ( 0.0227273 -0.0000000 0.0000000), wk = 0.0033113 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0033113 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0033113 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0033113 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0033113 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0033113 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0033113 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0033113 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0033113 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0033113 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0033113 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0033113 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0033113 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0033113 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0033113 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0033113 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0033113 k( 31) = ( 0.3409091 -0.0000000 0.0000000), wk = 0.0033113 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0033113 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0033113 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0033113 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0033113 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0033113 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0033113 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0033113 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0033113 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0033113 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0033113 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0033113 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0033113 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0033113 k( 50) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0033113 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0033113 k( 52) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0033113 k( 54) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0033113 k( 57) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0033113 k( 58) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0033113 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0033113 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0033113 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0033113 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0033113 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0033113 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0033113 k( 68) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0033113 k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0033113 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0033113 k( 77) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0033113 k( 78) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0033113 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0033113 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0033113 k( 81) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0033113 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0033113 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0033113 k( 85) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0033113 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0033113 k( 88) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0033113 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0033113 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033113 k( 91) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0033113 k( 92) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0033113 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0033113 k( 94) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0033113 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0033113 k( 96) = ( 0.1830065 0.1830065 0.0000000), wk = 0.0033113 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0033113 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1633987 0.1633987 0.0000000), wk = 0.0033113 k( 100) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0033113 k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0033113 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0033113 k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0033113 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033113 k( 108) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0033113 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0033113 k( 110) = ( 0.0915033 0.0915033 0.0000000), wk = 0.0033113 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0033113 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0033113 k( 114) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0033113 k( 115) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0033113 k( 116) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0033113 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0033113 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0033113 k( 119) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0033113 k( 121) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0033113 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0033113 k( 123) = ( 0.0065359 0.0065359 0.0000000), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 144) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0033113 k( 145) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0033113 k( 146) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0033113 k( 147) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0033113 k( 148) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0033113 k( 149) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0033113 k( 150) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0033113 k( 151) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0033113 k( 152) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0033113 k( 153) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0033113 k( 154) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033113 k( 155) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0033113 k( 156) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0033113 k( 157) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0033113 k( 158) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0033113 k( 159) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0033113 k( 160) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0033113 k( 161) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0033113 k( 162) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0033113 k( 163) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0033113 k( 164) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0033113 k( 165) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033113 k( 166) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0033113 k( 167) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0033113 k( 168) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0033113 k( 169) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0033113 k( 170) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0033113 k( 171) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0033113 k( 172) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0033113 k( 173) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0033113 k( 174) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0033113 k( 175) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0033113 k( 176) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033113 k( 177) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0033113 k( 178) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0033113 k( 179) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0033113 k( 180) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0033113 k( 181) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0033113 k( 182) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0033113 k( 183) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0033113 k( 184) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0033113 k( 185) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0033113 k( 186) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0033113 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 189) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0033113 k( 190) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0033113 k( 191) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0033113 k( 192) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0033113 k( 193) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0033113 k( 194) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0033113 k( 195) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0033113 k( 196) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0033113 k( 197) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0033113 k( 198) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0033113 k( 199) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0033113 k( 200) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0033113 k( 201) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033113 k( 202) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0033113 k( 203) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0033113 k( 204) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0033113 k( 205) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0033113 k( 206) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0033113 k( 207) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0033113 k( 208) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0033113 k( 209) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0033113 k( 210) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0033113 k( 211) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0033113 k( 212) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0033113 k( 213) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0033113 k( 214) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 215) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 216) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0033113 k( 217) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0033113 k( 218) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0033113 k( 219) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0033113 k( 220) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0033113 k( 221) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0033113 k( 222) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0033113 k( 223) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0033113 k( 224) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0033113 k( 225) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0033113 k( 226) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0033113 k( 227) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0033113 k( 228) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0033113 k( 229) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0033113 k( 230) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0033113 k( 231) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0033113 k( 232) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033113 k( 233) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0033113 k( 234) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0033113 k( 235) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0033113 k( 236) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0033113 k( 237) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0033113 k( 238) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0033113 k( 239) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0033113 k( 240) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0033113 k( 241) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0033113 k( 242) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0033113 k( 243) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0033113 k( 244) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0033113 k( 245) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0033113 k( 246) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0033113 k( 247) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0033113 k( 248) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0033113 k( 249) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033113 k( 250) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0033113 k( 251) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0033113 k( 252) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0033113 k( 253) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0033113 k( 254) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0033113 k( 255) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0033113 k( 256) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0033113 k( 257) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0033113 k( 258) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0033113 k( 259) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0033113 k( 260) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0033113 k( 261) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0033113 k( 262) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0033113 k( 263) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0033113 k( 264) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0033113 k( 265) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0033113 k( 266) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 268) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0033113 k( 269) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0033113 k( 270) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0033113 k( 271) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0033113 k( 272) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0033113 k( 273) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0033113 k( 274) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0033113 k( 275) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0033113 k( 276) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0033113 k( 277) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0033113 k( 278) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0033113 k( 279) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0033113 k( 280) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0033113 k( 281) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0033113 k( 282) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0033113 k( 283) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0033113 k( 284) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 285) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033113 k( 286) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0033113 k( 287) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0033113 k( 288) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0033113 k( 289) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0033113 k( 290) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0033113 k( 291) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0033113 k( 292) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0033113 k( 293) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0033113 k( 294) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0033113 k( 295) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0033113 k( 296) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0033113 k( 297) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0033113 k( 298) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0033113 k( 299) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0033113 k( 300) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0033113 k( 301) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0033113 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 Dense grid: 76151 G-vectors FFT dimensions: ( 45, 45, 96) Smooth grid: 41057 G-vectors FFT dimensions: ( 36, 36, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 300, 62) NL pseudopotentials 0.38 Mb ( 150, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2115) G-vector shells 0.01 Mb ( 923) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.14 Mb ( 300, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KCuSe.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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.3 secs Computing kpt #: 8 total cpu time spent up to now is 9.0 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.9 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.0 secs Computing kpt #: 17 total cpu time spent up to now is 14.5 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.6 secs Computing kpt #: 20 total cpu time spent up to now is 16.1 secs Computing kpt #: 21 total cpu time spent up to now is 16.7 secs Computing kpt #: 22 total cpu time spent up to now is 17.2 secs Computing kpt #: 23 total cpu time spent up to now is 17.8 secs Computing kpt #: 24 total cpu time spent up to now is 18.3 secs Computing kpt #: 25 total cpu time spent up to now is 18.9 secs Computing kpt #: 26 total cpu time spent up to now is 19.4 secs Computing kpt #: 27 total cpu time spent up to now is 20.0 secs Computing kpt #: 28 total cpu time spent up to now is 20.5 secs Computing kpt #: 29 total cpu time spent up to now is 21.0 secs Computing kpt #: 30 total cpu time spent up to now is 21.6 secs Computing kpt #: 31 total cpu time spent up to now is 22.1 secs Computing kpt #: 32 total cpu time spent up to now is 22.7 secs Computing kpt #: 33 total cpu time spent up to now is 23.2 secs Computing kpt #: 34 total cpu time spent up to now is 23.8 secs Computing kpt #: 35 total cpu time spent up to now is 24.3 secs Computing kpt #: 36 total cpu time spent up to now is 24.8 secs Computing kpt #: 37 total cpu time spent up to now is 25.4 secs Computing kpt #: 38 total cpu time spent up to now is 25.9 secs Computing kpt #: 39 total cpu time spent up to now is 26.5 secs Computing kpt #: 40 total cpu time spent up to now is 27.0 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.6 secs Computing kpt #: 44 total cpu time spent up to now is 29.2 secs Computing kpt #: 45 total cpu time spent up to now is 29.7 secs Computing kpt #: 46 total cpu time spent up to now is 30.2 secs Computing kpt #: 47 total cpu time spent up to now is 30.8 secs Computing kpt #: 48 total cpu time spent up to now is 31.3 secs Computing kpt #: 49 total cpu time spent up to now is 31.9 secs Computing kpt #: 50 total cpu time spent up to now is 32.4 secs Computing kpt #: 51 total cpu time spent up to now is 33.0 secs Computing kpt #: 52 total cpu time spent up to now is 33.5 secs Computing kpt #: 53 total cpu time spent up to now is 34.1 secs Computing kpt #: 54 total cpu time spent up to now is 34.6 secs Computing kpt #: 55 total cpu time spent up to now is 35.2 secs Computing kpt #: 56 total cpu time spent up to now is 35.8 secs Computing kpt #: 57 total cpu time spent up to now is 36.3 secs Computing kpt #: 58 total cpu time spent up to now is 36.9 secs Computing kpt #: 59 total cpu time spent up to now is 37.4 secs Computing kpt #: 60 total cpu time spent up to now is 38.0 secs Computing kpt #: 61 total cpu time spent up to now is 38.5 secs Computing kpt #: 62 total cpu time spent up to now is 39.1 secs Computing kpt #: 63 total cpu time spent up to now is 39.7 secs Computing kpt #: 64 total cpu time spent up to now is 40.3 secs Computing kpt #: 65 total cpu time spent up to now is 40.9 secs Computing kpt #: 66 total cpu time spent up to now is 41.7 secs Computing kpt #: 67 total cpu time spent up to now is 42.5 secs Computing kpt #: 68 total cpu time spent up to now is 43.2 secs Computing kpt #: 69 total cpu time spent up to now is 43.9 secs Computing kpt #: 70 total cpu time spent up to now is 44.6 secs Computing kpt #: 71 total cpu time spent up to now is 45.3 secs Computing kpt #: 72 total cpu time spent up to now is 46.1 secs Computing kpt #: 73 total cpu time spent up to now is 46.7 secs Computing kpt #: 74 total cpu time spent up to now is 47.4 secs Computing kpt #: 75 total cpu time spent up to now is 48.2 secs Computing kpt #: 76 total cpu time spent up to now is 48.9 secs Computing kpt #: 77 total cpu time spent up to now is 49.6 secs Computing kpt #: 78 total cpu time spent up to now is 50.3 secs Computing kpt #: 79 total cpu time spent up to now is 51.0 secs Computing kpt #: 80 total cpu time spent up to now is 51.8 secs Computing kpt #: 81 total cpu time spent up to now is 53.0 secs Computing kpt #: 82 total cpu time spent up to now is 54.0 secs Computing kpt #: 83 total cpu time spent up to now is 54.7 secs Computing kpt #: 84 total cpu time spent up to now is 55.4 secs Computing kpt #: 85 total cpu time spent up to now is 56.1 secs Computing kpt #: 86 total cpu time spent up to now is 56.8 secs Computing kpt #: 87 total cpu time spent up to now is 57.4 secs Computing kpt #: 88 total cpu time spent up to now is 58.0 secs Computing kpt #: 89 total cpu time spent up to now is 58.6 secs Computing kpt #: 90 total cpu time spent up to now is 59.1 secs Computing kpt #: 91 total cpu time spent up to now is 59.7 secs Computing kpt #: 92 total cpu time spent up to now is 60.3 secs Computing kpt #: 93 total cpu time spent up to now is 60.9 secs Computing kpt #: 94 total cpu time spent up to now is 61.5 secs Computing kpt #: 95 total cpu time spent up to now is 62.0 secs Computing kpt #: 96 total cpu time spent up to now is 62.6 secs Computing kpt #: 97 total cpu time spent up to now is 63.2 secs Computing kpt #: 98 total cpu time spent up to now is 63.7 secs Computing kpt #: 99 total cpu time spent up to now is 64.3 secs Computing kpt #: 100 total cpu time spent up to now is 64.9 secs Computing kpt #: 101 total cpu time spent up to now is 65.5 secs Computing kpt #: 102 total cpu time spent up to now is 66.0 secs Computing kpt #: 103 total cpu time spent up to now is 66.6 secs Computing kpt #: 104 total cpu time spent up to now is 67.1 secs Computing kpt #: 105 total cpu time spent up to now is 67.7 secs Computing kpt #: 106 total cpu time spent up to now is 68.3 secs Computing kpt #: 107 total cpu time spent up to now is 68.8 secs Computing kpt #: 108 total cpu time spent up to now is 69.4 secs Computing kpt #: 109 total cpu time spent up to now is 69.9 secs Computing kpt #: 110 total cpu time spent up to now is 70.5 secs Computing kpt #: 111 total cpu time spent up to now is 71.1 secs Computing kpt #: 112 total cpu time spent up to now is 71.7 secs Computing kpt #: 113 total cpu time spent up to now is 72.3 secs Computing kpt #: 114 total cpu time spent up to now is 73.0 secs Computing kpt #: 115 total cpu time spent up to now is 73.7 secs Computing kpt #: 116 total cpu time spent up to now is 74.4 secs Computing kpt #: 117 total cpu time spent up to now is 75.2 secs Computing kpt #: 118 total cpu time spent up to now is 75.9 secs Computing kpt #: 119 total cpu time spent up to now is 76.6 secs Computing kpt #: 120 total cpu time spent up to now is 77.3 secs Computing kpt #: 121 total cpu time spent up to now is 78.0 secs Computing kpt #: 122 total cpu time spent up to now is 78.8 secs Computing kpt #: 123 total cpu time spent up to now is 79.5 secs Computing kpt #: 124 total cpu time spent up to now is 80.2 secs Computing kpt #: 125 total cpu time spent up to now is 80.9 secs Computing kpt #: 126 total cpu time spent up to now is 81.7 secs Computing kpt #: 127 total cpu time spent up to now is 82.4 secs Computing kpt #: 128 total cpu time spent up to now is 83.1 secs Computing kpt #: 129 total cpu time spent up to now is 83.9 secs Computing kpt #: 130 total cpu time spent up to now is 84.7 secs Computing kpt #: 131 total cpu time spent up to now is 85.4 secs Computing kpt #: 132 total cpu time spent up to now is 86.2 secs Computing kpt #: 133 total cpu time spent up to now is 87.2 secs Computing kpt #: 134 total cpu time spent up to now is 88.1 secs Computing kpt #: 135 total cpu time spent up to now is 88.9 secs Computing kpt #: 136 total cpu time spent up to now is 89.9 secs Computing kpt #: 137 total cpu time spent up to now is 90.7 secs Computing kpt #: 138 total cpu time spent up to now is 91.7 secs Computing kpt #: 139 total cpu time spent up to now is 92.6 secs Computing kpt #: 140 total cpu time spent up to now is 93.6 secs Computing kpt #: 141 total cpu time spent up to now is 94.6 secs Computing kpt #: 142 total cpu time spent up to now is 95.4 secs Computing kpt #: 143 total cpu time spent up to now is 96.1 secs Computing kpt #: 144 total cpu time spent up to now is 96.8 secs Computing kpt #: 145 total cpu time spent up to now is 97.5 secs Computing kpt #: 146 total cpu time spent up to now is 98.3 secs Computing kpt #: 147 total cpu time spent up to now is 99.0 secs Computing kpt #: 148 total cpu time spent up to now is 99.7 secs Computing kpt #: 149 total cpu time spent up to now is 100.3 secs Computing kpt #: 150 total cpu time spent up to now is 101.0 secs Computing kpt #: 151 total cpu time spent up to now is 101.6 secs Computing kpt #: 152 total cpu time spent up to now is 102.2 secs Computing kpt #: 153 total cpu time spent up to now is 102.8 secs Computing kpt #: 154 total cpu time spent up to now is 103.4 secs Computing kpt #: 155 total cpu time spent up to now is 104.0 secs Computing kpt #: 156 total cpu time spent up to now is 104.6 secs Computing kpt #: 157 total cpu time spent up to now is 105.2 secs Computing kpt #: 158 total cpu time spent up to now is 105.8 secs Computing kpt #: 159 total cpu time spent up to now is 106.4 secs Computing kpt #: 160 total cpu time spent up to now is 107.0 secs Computing kpt #: 161 total cpu time spent up to now is 107.6 secs Computing kpt #: 162 total cpu time spent up to now is 108.1 secs Computing kpt #: 163 total cpu time spent up to now is 108.7 secs Computing kpt #: 164 total cpu time spent up to now is 109.3 secs Computing kpt #: 165 total cpu time spent up to now is 109.9 secs Computing kpt #: 166 total cpu time spent up to now is 110.5 secs Computing kpt #: 167 total cpu time spent up to now is 111.1 secs Computing kpt #: 168 total cpu time spent up to now is 111.6 secs Computing kpt #: 169 total cpu time spent up to now is 112.2 secs Computing kpt #: 170 total cpu time spent up to now is 112.8 secs Computing kpt #: 171 total cpu time spent up to now is 113.4 secs Computing kpt #: 172 total cpu time spent up to now is 114.0 secs Computing kpt #: 173 total cpu time spent up to now is 114.6 secs Computing kpt #: 174 total cpu time spent up to now is 115.1 secs Computing kpt #: 175 total cpu time spent up to now is 115.7 secs Computing kpt #: 176 total cpu time spent up to now is 116.3 secs Computing kpt #: 177 total cpu time spent up to now is 116.9 secs Computing kpt #: 178 total cpu time spent up to now is 117.5 secs Computing kpt #: 179 total cpu time spent up to now is 118.1 secs Computing kpt #: 180 total cpu time spent up to now is 118.7 secs Computing kpt #: 181 total cpu time spent up to now is 119.4 secs Computing kpt #: 182 total cpu time spent up to now is 120.0 secs Computing kpt #: 183 total cpu time spent up to now is 120.7 secs Computing kpt #: 184 total cpu time spent up to now is 121.4 secs Computing kpt #: 185 total cpu time spent up to now is 122.1 secs Computing kpt #: 186 total cpu time spent up to now is 122.8 secs Computing kpt #: 187 total cpu time spent up to now is 123.6 secs Computing kpt #: 188 total cpu time spent up to now is 124.3 secs Computing kpt #: 189 total cpu time spent up to now is 125.0 secs Computing kpt #: 190 total cpu time spent up to now is 126.2 secs Computing kpt #: 191 total cpu time spent up to now is 127.4 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.2 secs Computing kpt #: 193 total cpu time spent up to now is 131.0 secs Computing kpt #: 194 total cpu time spent up to now is 132.7 secs Computing kpt #: 195 total cpu time spent up to now is 133.5 secs Computing kpt #: 196 total cpu time spent up to now is 134.2 secs Computing kpt #: 197 total cpu time spent up to now is 134.9 secs Computing kpt #: 198 total cpu time spent up to now is 136.2 secs Computing kpt #: 199 total cpu time spent up to now is 137.9 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.6 secs Computing kpt #: 202 total cpu time spent up to now is 143.2 secs Computing kpt #: 203 total cpu time spent up to now is 144.7 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.7 secs Computing kpt #: 205 total cpu time spent up to now is 148.0 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.9 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.8 secs Computing kpt #: 208 total cpu time spent up to now is 153.5 secs Computing kpt #: 209 total cpu time spent up to now is 155.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.1 secs Computing kpt #: 212 total cpu time spent up to now is 159.9 secs Computing kpt #: 213 total cpu time spent up to now is 160.8 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.7 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.5 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.3 secs Computing kpt #: 217 total cpu time spent up to now is 167.3 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.1 secs Computing kpt #: 219 total cpu time spent up to now is 170.1 secs Computing kpt #: 220 total cpu time spent up to now is 170.7 secs Computing kpt #: 221 total cpu time spent up to now is 171.4 secs Computing kpt #: 222 total cpu time spent up to now is 172.1 secs Computing kpt #: 223 total cpu time spent up to now is 172.9 secs Computing kpt #: 224 total cpu time spent up to now is 173.6 secs Computing kpt #: 225 total cpu time spent up to now is 174.4 secs Computing kpt #: 226 total cpu time spent up to now is 175.1 secs Computing kpt #: 227 total cpu time spent up to now is 175.8 secs Computing kpt #: 228 total cpu time spent up to now is 176.5 secs Computing kpt #: 229 total cpu time spent up to now is 177.2 secs Computing kpt #: 230 total cpu time spent up to now is 177.9 secs Computing kpt #: 231 total cpu time spent up to now is 178.6 secs Computing kpt #: 232 total cpu time spent up to now is 179.2 secs Computing kpt #: 233 total cpu time spent up to now is 179.9 secs Computing kpt #: 234 total cpu time spent up to now is 180.6 secs Computing kpt #: 235 total cpu time spent up to now is 181.3 secs Computing kpt #: 236 total cpu time spent up to now is 182.0 secs Computing kpt #: 237 total cpu time spent up to now is 182.6 secs Computing kpt #: 238 total cpu time spent up to now is 183.3 secs Computing kpt #: 239 total cpu time spent up to now is 183.9 secs Computing kpt #: 240 total cpu time spent up to now is 184.6 secs Computing kpt #: 241 total cpu time spent up to now is 185.3 secs Computing kpt #: 242 total cpu time spent up to now is 186.0 secs Computing kpt #: 243 total cpu time spent up to now is 186.7 secs Computing kpt #: 244 total cpu time spent up to now is 187.4 secs Computing kpt #: 245 total cpu time spent up to now is 188.1 secs Computing kpt #: 246 total cpu time spent up to now is 188.8 secs Computing kpt #: 247 total cpu time spent up to now is 189.5 secs Computing kpt #: 248 total cpu time spent up to now is 190.2 secs Computing kpt #: 249 total cpu time spent up to now is 190.9 secs Computing kpt #: 250 total cpu time spent up to now is 191.6 secs Computing kpt #: 251 total cpu time spent up to now is 192.4 secs Computing kpt #: 252 total cpu time spent up to now is 193.1 secs Computing kpt #: 253 total cpu time spent up to now is 193.8 secs Computing kpt #: 254 total cpu time spent up to now is 194.6 secs Computing kpt #: 255 total cpu time spent up to now is 195.3 secs Computing kpt #: 256 total cpu time spent up to now is 196.1 secs Computing kpt #: 257 total cpu time spent up to now is 197.0 secs Computing kpt #: 258 total cpu time spent up to now is 197.8 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 260 total cpu time spent up to now is 200.5 secs Computing kpt #: 261 total cpu time spent up to now is 201.4 secs Computing kpt #: 262 total cpu time spent up to now is 203.1 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 204.9 secs Computing kpt #: 264 total cpu time spent up to now is 206.4 secs Computing kpt #: 265 total cpu time spent up to now is 207.1 secs Computing kpt #: 266 total cpu time spent up to now is 207.8 secs Computing kpt #: 267 total cpu time spent up to now is 208.5 secs Computing kpt #: 268 total cpu time spent up to now is 209.6 secs Computing kpt #: 269 total cpu time spent up to now is 210.4 secs Computing kpt #: 270 total cpu time spent up to now is 211.1 secs Computing kpt #: 271 total cpu time spent up to now is 211.8 secs Computing kpt #: 272 total cpu time spent up to now is 212.5 secs Computing kpt #: 273 total cpu time spent up to now is 213.1 secs Computing kpt #: 274 total cpu time spent up to now is 213.7 secs Computing kpt #: 275 total cpu time spent up to now is 214.3 secs Computing kpt #: 276 total cpu time spent up to now is 214.9 secs Computing kpt #: 277 total cpu time spent up to now is 215.5 secs Computing kpt #: 278 total cpu time spent up to now is 216.0 secs Computing kpt #: 279 total cpu time spent up to now is 216.6 secs Computing kpt #: 280 total cpu time spent up to now is 217.2 secs Computing kpt #: 281 total cpu time spent up to now is 217.7 secs Computing kpt #: 282 total cpu time spent up to now is 218.2 secs Computing kpt #: 283 total cpu time spent up to now is 218.8 secs Computing kpt #: 284 total cpu time spent up to now is 219.3 secs Computing kpt #: 285 total cpu time spent up to now is 220.0 secs Computing kpt #: 286 total cpu time spent up to now is 220.7 secs Computing kpt #: 287 total cpu time spent up to now is 221.4 secs Computing kpt #: 288 total cpu time spent up to now is 222.1 secs Computing kpt #: 289 total cpu time spent up to now is 222.8 secs Computing kpt #: 290 total cpu time spent up to now is 223.5 secs Computing kpt #: 291 total cpu time spent up to now is 224.2 secs Computing kpt #: 292 total cpu time spent up to now is 224.9 secs Computing kpt #: 293 total cpu time spent up to now is 225.6 secs Computing kpt #: 294 total cpu time spent up to now is 226.3 secs Computing kpt #: 295 total cpu time spent up to now is 227.2 secs Computing kpt #: 296 total cpu time spent up to now is 228.2 secs Computing kpt #: 297 total cpu time spent up to now is 228.9 secs Computing kpt #: 298 total cpu time spent up to now is 229.6 secs Computing kpt #: 299 total cpu time spent up to now is 230.3 secs Computing kpt #: 300 total cpu time spent up to now is 230.9 secs Computing kpt #: 301 total cpu time spent up to now is 231.8 secs Computing kpt #: 302 total cpu time spent up to now is 233.4 secs ethr = 1.92E-08, avg # of iterations = 29.5 total cpu time spent up to now is 233.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5169 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9856 -7.9856 -7.6954 -7.6954 -7.5629 -7.5629 -7.4425 -7.4425 -7.4134 -7.4134 -7.4079 -7.4079 -6.8237 -6.8237 -6.2842 -6.2842 2.4932 2.4932 2.5549 2.5549 2.5848 2.5848 2.6120 2.6120 2.7265 2.7265 3.9510 3.9510 3.9963 3.9963 4.1338 4.1338 4.2692 4.2692 4.3012 4.3012 4.3399 4.3399 4.4122 4.4122 6.5066 6.5066 6.5237 6.5237 6.6150 6.6150 6.6424 6.6424 6.8844 6.8844 7.7735 7.7735 9.2847 9.2847 10.3846 10.3846 10.8773 10.8773 k = 0.0114 0.0066-0.0000 ( 5165 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9852 -7.9852 -7.6956 -7.6956 -7.5630 -7.5630 -7.4427 -7.4427 -7.4138 -7.4138 -7.4081 -7.4081 -6.8227 -6.8227 -6.2843 -6.2843 2.4929 2.4929 2.5545 2.5545 2.5840 2.5840 2.6114 2.6114 2.7270 2.7270 3.9459 3.9459 3.9992 3.9992 4.1340 4.1340 4.2704 4.2704 4.3028 4.3028 4.3402 4.3402 4.4123 4.4123 6.4993 6.4993 6.5178 6.5178 6.5923 6.5923 6.6298 6.6298 6.9165 6.9165 7.7855 7.7855 9.2873 9.2873 10.3844 10.3844 10.8798 10.8798 k = 0.0227 0.0131-0.0000 ( 5169 PWs) bands (ev): -24.0320 -24.0320 -24.0300 -24.0300 -7.9841 -7.9841 -7.6960 -7.6960 -7.5633 -7.5633 -7.4431 -7.4431 -7.4149 -7.4149 -7.4086 -7.4086 -6.8196 -6.8196 -6.2844 -6.2844 2.4920 2.4920 2.5536 2.5536 2.5810 2.5810 2.6102 2.6102 2.7287 2.7287 3.9333 3.9333 4.0053 4.0053 4.1346 4.1346 4.2733 4.2733 4.3079 4.3079 4.3409 4.3409 4.4125 4.4125 6.4707 6.4707 6.5077 6.5077 6.5247 6.5247 6.6176 6.6176 6.9871 6.9871 7.8202 7.8202 9.2952 9.2952 10.3838 10.3838 10.8863 10.8863 k = 0.0341 0.0197-0.0000 ( 5163 PWs) bands (ev): -24.0319 -24.0319 -24.0299 -24.0299 -7.9822 -7.9822 -7.6968 -7.6968 -7.5638 -7.5638 -7.4438 -7.4438 -7.4168 -7.4168 -7.4094 -7.4094 -6.8145 -6.8145 -6.2845 -6.2845 2.4899 2.4899 2.5525 2.5525 2.5746 2.5746 2.6095 2.6095 2.7316 2.7316 3.9164 3.9164 4.0120 4.0120 4.1356 4.1356 4.2765 4.2765 4.3177 4.3177 4.3421 4.3421 4.4129 4.4129 6.4217 6.4217 6.4413 6.4413 6.4959 6.4959 6.6028 6.6028 7.0703 7.0703 7.8742 7.8742 9.3082 9.3082 10.3827 10.3827 10.8947 10.8947 k = 0.0455 0.0262-0.0000 ( 5171 PWs) bands (ev): -24.0318 -24.0318 -24.0298 -24.0298 -7.9796 -7.9796 -7.6979 -7.6979 -7.5646 -7.5646 -7.4449 -7.4449 -7.4191 -7.4191 -7.4105 -7.4105 -6.8075 -6.8075 -6.2847 -6.2847 2.4861 2.4861 2.5517 2.5517 2.5640 2.5640 2.6103 2.6103 2.7357 2.7357 3.8969 3.8969 4.0183 4.0183 4.1368 4.1368 4.2788 4.2788 4.3320 4.3320 4.3440 4.3440 4.4135 4.4135 6.3500 6.3500 6.3613 6.3613 6.4805 6.4805 6.5830 6.5830 7.1576 7.1576 7.9434 7.9434 9.3261 9.3261 10.3811 10.3811 10.9038 10.9038 k = 0.0568 0.0328-0.0000 ( 5163 PWs) bands (ev): -24.0316 -24.0316 -24.0296 -24.0296 -7.9761 -7.9761 -7.6993 -7.6993 -7.5655 -7.5655 -7.4465 -7.4465 -7.4218 -7.4218 -7.4119 -7.4119 -6.7987 -6.7987 -6.2849 -6.2849 2.4798 2.4798 2.5488 2.5488 2.5522 2.5522 2.6127 2.6127 2.7410 2.7410 3.8756 3.8756 4.0240 4.0240 4.1385 4.1385 4.2805 4.2805 4.3442 4.3442 4.3528 4.3528 4.4145 4.4145 6.2600 6.2600 6.2878 6.2878 6.4613 6.4613 6.5583 6.5583 7.2459 7.2459 8.0236 8.0236 9.3486 9.3486 10.3787 10.3787 10.9142 10.9142 k = 0.0682 0.0394-0.0000 ( 5163 PWs) bands (ev): -24.0314 -24.0314 -24.0294 -24.0294 -7.9720 -7.9720 -7.7011 -7.7011 -7.5666 -7.5666 -7.4488 -7.4488 -7.4245 -7.4245 -7.4135 -7.4135 -6.7881 -6.7881 -6.2852 -6.2852 2.4706 2.4706 2.5301 2.5301 2.5538 2.5538 2.6164 2.6164 2.7476 2.7476 3.8532 3.8532 4.0292 4.0292 4.1404 4.1404 4.2816 4.2816 4.3474 4.3474 4.3741 4.3741 4.4158 4.4158 6.1687 6.1687 6.2084 6.2084 6.4384 6.4384 6.5288 6.5288 7.3339 7.3339 8.1114 8.1114 9.3755 9.3755 10.3753 10.3753 10.9272 10.9272 k = 0.0795 0.0459-0.0000 ( 5175 PWs) bands (ev): -24.0312 -24.0312 -24.0292 -24.0292 -7.9672 -7.9672 -7.7032 -7.7032 -7.5680 -7.5680 -7.4520 -7.4520 -7.4269 -7.4269 -7.4155 -7.4155 -6.7759 -6.7759 -6.2856 -6.2856 2.4582 2.4582 2.5077 2.5077 2.5571 2.5571 2.6213 2.6213 2.7555 2.7555 3.8298 3.8298 4.0342 4.0342 4.1426 4.1426 4.2825 4.2825 4.3503 4.3503 4.3979 4.3979 4.4182 4.4182 6.0775 6.0775 6.1250 6.1250 6.4118 6.4118 6.4949 6.4949 7.4207 7.4207 8.2038 8.2038 9.4065 9.4065 10.3707 10.3707 10.9434 10.9434 k = 0.0909 0.0525-0.0000 ( 5171 PWs) bands (ev): -24.0309 -24.0309 -24.0290 -24.0290 -7.9618 -7.9618 -7.7056 -7.7056 -7.5694 -7.5694 -7.4559 -7.4559 -7.4290 -7.4290 -7.4176 -7.4176 -6.7623 -6.7623 -6.2859 -6.2859 2.4427 2.4427 2.4820 2.4820 2.5621 2.5621 2.6271 2.6271 2.7646 2.7646 3.8060 3.8060 4.0390 4.0390 4.1450 4.1450 4.2832 4.2832 4.3534 4.3534 4.4162 4.4162 4.4286 4.4286 5.9867 5.9867 6.0395 6.0395 6.3818 6.3818 6.4569 6.4569 7.5060 7.5060 8.2983 8.2983 9.4412 9.4412 10.3645 10.3645 10.9637 10.9637 k = 0.1023 0.0590-0.0000 ( 5161 PWs) bands (ev): -24.0306 -24.0306 -24.0287 -24.0287 -7.9557 -7.9557 -7.7084 -7.7084 -7.5711 -7.5711 -7.4606 -7.4606 -7.4307 -7.4307 -7.4200 -7.4200 -6.7474 -6.7474 -6.2863 -6.2863 2.4242 2.4242 2.4531 2.4531 2.5685 2.5685 2.6338 2.6338 2.7749 2.7749 3.7818 3.7818 4.0437 4.0437 4.1475 4.1475 4.2839 4.2839 4.3568 4.3568 4.4211 4.4211 4.4548 4.4548 5.8969 5.8969 5.9531 5.9531 6.3486 6.3486 6.4153 6.4153 7.5895 7.5895 8.3927 8.3927 9.4796 9.4796 10.3561 10.3561 10.9882 10.9882 k = 0.1136 0.0656-0.0000 ( 5163 PWs) bands (ev): -24.0303 -24.0303 -24.0284 -24.0284 -7.9490 -7.9490 -7.7116 -7.7116 -7.5729 -7.5729 -7.4659 -7.4659 -7.4320 -7.4320 -7.4226 -7.4226 -6.7313 -6.7313 -6.2867 -6.2867 2.4029 2.4029 2.4214 2.4214 2.5761 2.5761 2.6414 2.6414 2.7864 2.7864 3.7575 3.7575 4.0484 4.0484 4.1501 4.1501 4.2846 4.2846 4.3601 4.3601 4.4254 4.4254 4.4836 4.4836 5.8081 5.8081 5.8669 5.8669 6.3125 6.3125 6.3704 6.3704 7.6711 7.6711 8.4847 8.4847 9.5218 9.5218 10.3451 10.3451 10.9537 10.9537 k = 0.1250 0.0722-0.0000 ( 5159 PWs) bands (ev): -24.0299 -24.0299 -24.0280 -24.0280 -7.9419 -7.9419 -7.7151 -7.7151 -7.5748 -7.5748 -7.4716 -7.4716 -7.4330 -7.4330 -7.4254 -7.4254 -6.7141 -6.7141 -6.2872 -6.2872 2.3783 2.3783 2.3877 2.3877 2.5849 2.5849 2.6499 2.6499 2.7989 2.7989 3.7331 3.7331 4.0532 4.0532 4.1527 4.1527 4.2853 4.2853 4.3633 4.3633 4.4308 4.4308 4.5136 4.5136 5.7206 5.7206 5.7816 5.7816 6.2738 6.2738 6.3226 6.3226 7.7506 7.7506 8.5722 8.5722 9.5678 9.5678 10.3305 10.3305 10.8417 10.8417 k = 0.1364 0.0787-0.0000 ( 5155 PWs) bands (ev): -24.0295 -24.0295 -24.0277 -24.0277 -7.9342 -7.9342 -7.7190 -7.7190 -7.5768 -7.5768 -7.4775 -7.4775 -7.4338 -7.4338 -7.4282 -7.4282 -6.6960 -6.6960 -6.2876 -6.2876 2.3468 2.3468 2.3560 2.3560 2.5947 2.5947 2.6591 2.6591 2.8123 2.8123 3.7089 3.7089 4.0580 4.0580 4.1553 4.1553 4.2860 4.2860 4.3662 4.3662 4.4377 4.4377 4.5444 4.5444 5.6346 5.6346 5.6978 5.6978 6.2327 6.2327 6.2724 6.2724 7.8281 7.8281 8.6531 8.6531 9.6184 9.6184 10.3110 10.3110 10.7330 10.7330 k = 0.1477 0.0853-0.0000 ( 5151 PWs) bands (ev): -24.0291 -24.0291 -24.0273 -24.0273 -7.9262 -7.9262 -7.7233 -7.7233 -7.5789 -7.5789 -7.4834 -7.4834 -7.4345 -7.4345 -7.4313 -7.4313 -6.6771 -6.6771 -6.2880 -6.2880 2.3082 2.3082 2.3269 2.3269 2.6054 2.6054 2.6692 2.6692 2.8266 2.8266 3.6848 3.6848 4.0628 4.0628 4.1578 4.1578 4.2867 4.2867 4.3686 4.3686 4.4463 4.4463 4.5757 4.5757 5.5505 5.5505 5.6158 5.6158 6.1894 6.1894 6.2200 6.2200 7.9036 7.9036 8.7253 8.7253 9.6739 9.6739 10.2843 10.2843 10.6303 10.6303 k = 0.1591 0.0919-0.0000 ( 5147 PWs) bands (ev): -24.0287 -24.0287 -24.0269 -24.0269 -7.9178 -7.9178 -7.7279 -7.7279 -7.5811 -7.5811 -7.4893 -7.4893 -7.4351 -7.4351 -7.4342 -7.4342 -6.6576 -6.6576 -6.2884 -6.2884 2.2667 2.2667 2.2967 2.2967 2.6170 2.6170 2.6799 2.6799 2.8415 2.8415 3.6611 3.6611 4.0677 4.0677 4.1602 4.1602 4.2875 4.2875 4.3705 4.3705 4.4569 4.4569 4.6074 4.6074 5.4683 5.4683 5.5357 5.5357 6.1443 6.1443 6.1659 6.1659 7.9771 7.9771 8.7871 8.7871 9.7348 9.7348 10.2468 10.2468 10.5373 10.5373 k = 0.1705 0.0984-0.0000 ( 5149 PWs) bands (ev): -24.0283 -24.0283 -24.0265 -24.0265 -7.9092 -7.9092 -7.7329 -7.7329 -7.5833 -7.5833 -7.4951 -7.4951 -7.4376 -7.4376 -7.4354 -7.4354 -6.6375 -6.6375 -6.2887 -6.2887 2.2230 2.2230 2.2649 2.2649 2.6294 2.6294 2.6915 2.6915 2.8571 2.8571 3.6377 3.6377 4.0727 4.0727 4.1623 4.1623 4.2884 4.2884 4.3718 4.3718 4.4694 4.4694 4.6394 4.6394 5.3884 5.3884 5.4578 5.4578 6.0976 6.0976 6.1104 6.1104 8.0488 8.0488 8.8374 8.8374 9.8009 9.8009 10.1940 10.1940 10.4584 10.4584 k = 0.1818 0.1050-0.0000 ( 5143 PWs) bands (ev): -24.0278 -24.0278 -24.0260 -24.0260 -7.9004 -7.9004 -7.7382 -7.7382 -7.5855 -7.5855 -7.5006 -7.5006 -7.4408 -7.4408 -7.4358 -7.4358 -6.6170 -6.6170 -6.2889 -6.2889 2.1775 2.1775 2.2315 2.2315 2.6426 2.6426 2.7037 2.7037 2.8730 2.8730 3.6146 3.6146 4.0776 4.0776 4.1643 4.1643 4.2893 4.2893 4.3727 4.3727 4.4841 4.4841 4.6715 4.6715 5.3110 5.3110 5.3822 5.3822 6.0496 6.0496 6.0539 6.0539 8.1187 8.1187 8.8759 8.8759 9.8716 9.8716 10.1237 10.1237 10.3960 10.3960 k = 0.1932 0.1115-0.0000 ( 5141 PWs) bands (ev): -24.0273 -24.0273 -24.0256 -24.0256 -7.8915 -7.8915 -7.7437 -7.7437 -7.5875 -7.5875 -7.5059 -7.5059 -7.4440 -7.4440 -7.4361 -7.4361 -6.5962 -6.5962 -6.2890 -6.2890 2.1305 2.1305 2.1968 2.1968 2.6565 2.6565 2.7166 2.7166 2.8893 2.8893 3.5921 3.5921 4.0825 4.0825 4.1660 4.1660 4.2902 4.2902 4.3732 4.3732 4.5007 4.5007 4.7035 4.7035 5.2363 5.2363 5.3090 5.3090 5.9965 5.9965 6.0006 6.0006 8.1869 8.1869 8.9031 8.9031 9.9454 9.9454 10.0390 10.0390 10.3471 10.3471 k = 0.2045 0.1181-0.0000 ( 5145 PWs) bands (ev): -24.0269 -24.0269 -24.0251 -24.0251 -7.8827 -7.8827 -7.7494 -7.7494 -7.5895 -7.5895 -7.5109 -7.5109 -7.4472 -7.4472 -7.4363 -7.4363 -6.5752 -6.5752 -6.2890 -6.2890 2.0822 2.0822 2.1609 2.1609 2.6709 2.6709 2.7301 2.7301 2.9057 2.9057 3.5700 3.5700 4.0874 4.0874 4.1675 4.1675 4.2911 4.2911 4.3732 4.3732 4.5194 4.5194 4.7354 4.7354 5.1644 5.1644 5.2383 5.2383 5.9387 5.9387 5.9506 5.9506 8.2535 8.2535 8.9199 8.9199 9.9447 9.9447 10.0209 10.0209 10.3065 10.3065 k = 0.2159 0.1247-0.0000 ( 5149 PWs) bands (ev): -24.0264 -24.0264 -24.0246 -24.0246 -7.8740 -7.8740 -7.7553 -7.7553 -7.5913 -7.5913 -7.5156 -7.5156 -7.4504 -7.4504 -7.4365 -7.4365 -6.5543 -6.5543 -6.2888 -6.2888 2.0329 2.0329 2.1240 2.1240 2.6860 2.6860 2.7443 2.7443 2.9222 2.9222 3.5486 3.5486 4.0922 4.0922 4.1686 4.1686 4.2920 4.2920 4.3730 4.3730 4.5399 4.5399 4.7670 4.7670 5.0955 5.0955 5.1702 5.1702 5.8806 5.8806 5.9001 5.9001 8.3185 8.3185 8.9278 8.9278 9.8465 9.8465 10.0944 10.0944 10.2702 10.2702 k = 0.2273 0.1312-0.0000 ( 5159 PWs) bands (ev): -24.0259 -24.0259 -24.0241 -24.0241 -7.8657 -7.8657 -7.7612 -7.7612 -7.5929 -7.5929 -7.5200 -7.5200 -7.4535 -7.4535 -7.4366 -7.4366 -6.5335 -6.5335 -6.2883 -6.2883 1.9828 1.9828 2.0864 2.0864 2.7016 2.7016 2.7590 2.7590 2.9387 2.9387 3.5277 3.5277 4.0969 4.0969 4.1696 4.1696 4.2930 4.2930 4.3724 4.3724 4.5621 4.5621 4.7977 4.7977 5.0299 5.0299 5.1050 5.1050 5.8225 5.8225 5.8491 5.8491 8.3820 8.3820 8.9281 8.9281 9.7461 9.7461 10.1626 10.1626 10.2379 10.2379 k = 0.2386 0.1378-0.0000 ( 5159 PWs) bands (ev): -24.0254 -24.0254 -24.0236 -24.0236 -7.8579 -7.8579 -7.7671 -7.7671 -7.5942 -7.5942 -7.5240 -7.5240 -7.4564 -7.4564 -7.4367 -7.4367 -6.5130 -6.5130 -6.2874 -6.2874 1.9322 1.9322 2.0483 2.0483 2.7176 2.7176 2.7742 2.7742 2.9549 2.9549 3.5075 3.5075 4.1015 4.1015 4.1703 4.1703 4.2940 4.2940 4.3716 4.3716 4.5860 4.5860 4.8269 4.8269 4.9675 4.9675 5.0436 5.0436 5.7647 5.7647 5.7981 5.7981 8.4438 8.4438 8.9223 8.9223 9.6453 9.6453 10.1894 10.1894 10.2428 10.2428 k = 0.2500 0.1443-0.0000 ( 5141 PWs) bands (ev): -24.0248 -24.0248 -24.0231 -24.0231 -7.8507 -7.8507 -7.7727 -7.7727 -7.5951 -7.5951 -7.5277 -7.5277 -7.4593 -7.4593 -7.4368 -7.4368 -6.4930 -6.4930 -6.2861 -6.2861 1.8814 1.8814 2.0098 2.0098 2.7342 2.7342 2.7899 2.7899 2.9708 2.9708 3.4880 3.4880 4.1060 4.1060 4.1709 4.1709 4.2949 4.2949 4.3707 4.3707 4.6112 4.6112 4.8522 4.8522 4.9088 4.9088 4.9883 4.9883 5.7074 5.7074 5.7471 5.7471 8.5039 8.5039 8.9118 8.9118 9.5448 9.5448 10.1600 10.1600 10.2982 10.2982 k = 0.2614 0.1509-0.0000 ( 5145 PWs) bands (ev): -24.0243 -24.0243 -24.0227 -24.0227 -7.8444 -7.8444 -7.7780 -7.7780 -7.5956 -7.5956 -7.5310 -7.5310 -7.4620 -7.4620 -7.4368 -7.4368 -6.4736 -6.4736 -6.2843 -6.2843 1.8304 1.8304 1.9711 1.9711 2.7511 2.7511 2.8060 2.8060 2.9864 2.9864 3.4693 3.4693 4.1103 4.1103 4.1711 4.1711 4.2958 4.2958 4.3694 4.3694 4.6371 4.6371 4.8540 4.8540 4.8629 4.8629 4.9498 4.9498 5.6508 5.6508 5.6964 5.6964 8.5621 8.5621 8.8977 8.8977 9.4451 9.4451 10.1263 10.1263 10.3515 10.3515 k = 0.2727 0.1575-0.0000 ( 5139 PWs) bands (ev): -24.0238 -24.0238 -24.0221 -24.0221 -7.8394 -7.8394 -7.7827 -7.7827 -7.5956 -7.5956 -7.5341 -7.5341 -7.4646 -7.4646 -7.4367 -7.4367 -6.4553 -6.4553 -6.2817 -6.2817 1.7798 1.7798 1.9326 1.9326 2.7683 2.7683 2.8225 2.8225 3.0014 3.0014 3.4513 3.4513 4.1144 4.1144 4.1713 4.1713 4.2966 4.2966 4.3680 4.3680 4.6619 4.6619 4.8050 4.8050 4.8379 4.8379 4.9492 4.9492 5.5951 5.5951 5.6462 5.6462 8.6182 8.6182 8.8811 8.8811 9.3469 9.3469 10.0919 10.0919 10.3991 10.3991 k = 0.2841 0.1640-0.0000 ( 5137 PWs) bands (ev): -24.0233 -24.0233 -24.0217 -24.0217 -7.8359 -7.8359 -7.7864 -7.7864 -7.5953 -7.5953 -7.5368 -7.5368 -7.4669 -7.4669 -7.4367 -7.4367 -6.4382 -6.4382 -6.2782 -6.2782 1.7296 1.7296 1.8943 1.8943 2.7857 2.7857 2.8392 2.8392 3.0158 3.0158 3.4342 3.4342 4.1183 4.1183 4.1712 4.1712 4.2973 4.2973 4.3663 4.3663 4.6793 4.6793 4.7666 4.7666 4.7947 4.7947 4.9701 4.9701 5.5404 5.5404 5.5967 5.5967 8.6715 8.6715 8.8634 8.8634 9.2502 9.2502 10.0577 10.0577 10.4412 10.4412 k = 0.2955 0.1706-0.0000 ( 5137 PWs) bands (ev): -24.0228 -24.0228 -24.0212 -24.0212 -7.8343 -7.8343 -7.7890 -7.7890 -7.5944 -7.5944 -7.5392 -7.5392 -7.4691 -7.4691 -7.4365 -7.4365 -6.4225 -6.4225 -6.2736 -6.2736 1.6802 1.6802 1.8566 1.8566 2.8032 2.8032 2.8562 2.8562 3.0295 3.0295 3.4179 3.4179 4.1220 4.1220 4.1711 4.1711 4.2977 4.2977 4.3644 4.3644 4.6708 4.6708 4.7384 4.7384 4.7689 4.7689 4.9957 4.9957 5.4871 5.4871 5.5481 5.5481 8.7203 8.7203 8.8466 8.8466 9.1555 9.1555 10.0240 10.0240 10.4784 10.4784 k = 0.3068 0.1771-0.0000 ( 5141 PWs) bands (ev): -24.0223 -24.0223 -24.0207 -24.0207 -7.8347 -7.8347 -7.7902 -7.7902 -7.5931 -7.5931 -7.5413 -7.5413 -7.4710 -7.4710 -7.4364 -7.4364 -6.4087 -6.4087 -6.2676 -6.2676 1.6317 1.6317 1.8196 1.8196 2.8208 2.8208 2.8733 2.8733 3.0424 3.0424 3.4026 3.4026 4.1255 4.1255 4.1708 4.1708 4.2979 4.2979 4.3622 4.3622 4.6392 4.6392 4.6950 4.6950 4.7869 4.7869 5.0221 5.0221 5.4352 5.4352 5.5005 5.5005 8.7584 8.7584 8.8377 8.8377 9.0630 9.0630 9.9909 9.9909 10.5114 10.5114 k = 0.3182 0.1837-0.0000 ( 5133 PWs) bands (ev): -24.0219 -24.0219 -24.0203 -24.0203 -7.8367 -7.8367 -7.7903 -7.7903 -7.5914 -7.5914 -7.5430 -7.5430 -7.4727 -7.4727 -7.4362 -7.4362 -6.3968 -6.3968 -6.2603 -6.2603 1.5845 1.5845 1.7835 1.7835 2.8384 2.8384 2.8904 2.8904 3.0546 3.0546 3.3882 3.3882 4.1288 4.1288 4.1704 4.1704 4.2977 4.2977 4.3596 4.3596 4.6029 4.6029 4.6513 4.6513 4.8164 4.8164 5.0482 5.0482 5.3850 5.3850 5.4542 5.4542 8.7686 8.7686 8.8539 8.8539 8.9732 8.9732 9.9589 9.9589 10.5410 10.5410 k = 0.3295 0.1903-0.0000 ( 5137 PWs) bands (ev): -24.0214 -24.0214 -24.0198 -24.0198 -7.8399 -7.8399 -7.7899 -7.7899 -7.5895 -7.5895 -7.5444 -7.5444 -7.4741 -7.4741 -7.4360 -7.4360 -6.3869 -6.3869 -6.2516 -6.2516 1.5388 1.5388 1.7486 1.7486 2.8558 2.8558 2.9074 2.9074 3.0658 3.0658 3.3748 3.3748 4.1318 4.1318 4.1699 4.1699 4.2970 4.2970 4.3566 4.3566 4.5677 4.5677 4.6099 4.6099 4.8491 4.8491 5.0735 5.0735 5.3368 5.3368 5.4094 5.4094 8.7559 8.7559 8.8845 8.8845 8.8922 8.8922 9.9282 9.9282 10.5676 10.5676 k = 0.3409 0.1968-0.0000 ( 5131 PWs) bands (ev): -24.0210 -24.0210 -24.0194 -24.0194 -7.8439 -7.8439 -7.7892 -7.7892 -7.5874 -7.5874 -7.5454 -7.5454 -7.4752 -7.4752 -7.4358 -7.4358 -6.3790 -6.3790 -6.2417 -6.2417 1.4948 1.4948 1.7149 1.7149 2.8730 2.8730 2.9243 2.9243 3.0762 3.0762 3.3624 3.3624 4.1346 4.1346 4.1695 4.1695 4.2958 4.2958 4.3530 4.3530 4.5349 4.5349 4.5716 4.5716 4.8832 4.8832 5.0975 5.0975 5.2907 5.2907 5.3663 5.3663 8.7357 8.7357 8.8038 8.8038 8.9308 8.9308 9.8989 9.8989 10.5918 10.5918 k = 0.3523 0.2034-0.0000 ( 5125 PWs) bands (ev): -24.0205 -24.0205 -24.0190 -24.0190 -7.8481 -7.8481 -7.7885 -7.7885 -7.5853 -7.5853 -7.5461 -7.5461 -7.4759 -7.4759 -7.4356 -7.4356 -6.3728 -6.3728 -6.2309 -6.2309 1.4528 1.4528 1.6828 1.6828 2.8898 2.8898 2.9409 2.9409 3.0856 3.0856 3.3511 3.3511 4.1372 4.1372 4.1689 4.1689 4.2936 4.2936 4.3485 4.3485 4.5051 4.5051 4.5368 4.5368 4.9179 4.9179 5.1198 5.1198 5.2474 5.2474 5.3252 5.3252 8.7029 8.7029 8.7362 8.7362 8.9703 8.9703 9.8713 9.8713 10.6136 10.6136 k = 0.3636 0.2099-0.0000 ( 5129 PWs) bands (ev): -24.0201 -24.0201 -24.0186 -24.0186 -7.8525 -7.8525 -7.7881 -7.7881 -7.5833 -7.5833 -7.5464 -7.5464 -7.4764 -7.4764 -7.4354 -7.4354 -6.3680 -6.3680 -6.2195 -6.2195 1.4129 1.4129 1.6523 1.6523 2.9060 2.9060 2.9570 2.9570 3.0940 3.0940 3.3409 3.3409 4.1395 4.1395 4.1684 4.1684 4.2905 4.2905 4.3431 4.3431 4.4785 4.4785 4.5059 4.5059 4.9525 4.9525 5.1387 5.1387 5.2084 5.2084 5.2861 5.2861 8.6365 8.6365 8.7058 8.7058 9.0078 9.0078 9.8455 9.8455 10.6333 10.6333 k = 0.3750 0.2165-0.0000 ( 5115 PWs) bands (ev): -24.0198 -24.0198 -24.0182 -24.0182 -7.8568 -7.8568 -7.7878 -7.7878 -7.5815 -7.5815 -7.5463 -7.5463 -7.4764 -7.4764 -7.4351 -7.4351 -6.3644 -6.3644 -6.2079 -6.2079 1.3754 1.3754 1.6237 1.6237 2.9217 2.9217 2.9727 2.9727 3.1015 3.1015 3.3318 3.3318 4.1416 4.1416 4.1679 4.1679 4.2860 4.2860 4.3364 4.3364 4.4552 4.4552 4.4794 4.4794 4.9866 4.9866 5.1446 5.1446 5.1833 5.1833 5.2499 5.2499 8.5648 8.5648 8.6855 8.6855 9.0429 9.0429 9.8216 9.8216 10.6508 10.6508 k = 0.3864 0.2231-0.0000 ( 5110 PWs) bands (ev): -24.0194 -24.0194 -24.0179 -24.0179 -7.8610 -7.8610 -7.7878 -7.7878 -7.5801 -7.5801 -7.5459 -7.5459 -7.4762 -7.4762 -7.4349 -7.4349 -6.3618 -6.3618 -6.1965 -6.1965 1.3404 1.3404 1.5970 1.5970 2.9366 2.9366 2.9877 2.9877 3.1080 3.1080 3.3237 3.3237 4.1434 4.1434 4.1675 4.1675 4.2801 4.2801 4.3281 4.3281 4.4354 4.4354 4.4576 4.4576 5.0191 5.0191 5.1213 5.1213 5.1864 5.1864 5.2187 5.2187 8.4963 8.4963 8.6673 8.6673 9.0751 9.0751 9.7997 9.7997 10.6662 10.6662 k = 0.3977 0.2296-0.0000 ( 5118 PWs) bands (ev): -24.0191 -24.0191 -24.0176 -24.0176 -7.8649 -7.8649 -7.7880 -7.7880 -7.5790 -7.5790 -7.5453 -7.5453 -7.4757 -7.4757 -7.4347 -7.4347 -6.3598 -6.3598 -6.1855 -6.1855 1.3082 1.3082 1.5724 1.5724 2.9506 2.9506 3.0019 3.0019 3.1136 3.1136 3.3167 3.3167 4.1449 4.1449 4.1671 4.1671 4.2727 4.2727 4.3185 4.3185 4.4191 4.4191 4.4405 4.4405 5.0471 5.0471 5.0941 5.0941 5.1765 5.1765 5.2116 5.2116 8.4322 8.4322 8.6508 8.6508 9.1045 9.1045 9.7799 9.7799 10.6795 10.6795 k = 0.4091 0.2362-0.0000 ( 5118 PWs) bands (ev): -24.0188 -24.0188 -24.0173 -24.0173 -7.8685 -7.8685 -7.7883 -7.7883 -7.5782 -7.5782 -7.5446 -7.5446 -7.4749 -7.4749 -7.4344 -7.4344 -6.3583 -6.3583 -6.1751 -6.1751 1.2789 1.2789 1.5501 1.5501 2.9635 2.9635 3.0152 3.0152 3.1183 3.1183 3.3108 3.3108 4.1463 4.1463 4.1669 4.1669 4.2639 4.2639 4.3078 4.3078 4.4061 4.4061 4.4276 4.4276 5.0487 5.0487 5.0924 5.0924 5.1509 5.1509 5.2235 5.2235 8.3732 8.3732 8.6359 8.6359 9.1309 9.1309 9.7622 9.7622 10.6907 10.6907 k = 0.4205 0.2427-0.0000 ( 5116 PWs) bands (ev): -24.0185 -24.0185 -24.0170 -24.0170 -7.8717 -7.8717 -7.7887 -7.7887 -7.5776 -7.5776 -7.5438 -7.5438 -7.4739 -7.4739 -7.4342 -7.4342 -6.3572 -6.3572 -6.1656 -6.1656 1.2527 1.2527 1.5301 1.5301 2.9753 2.9753 3.0273 3.0273 3.1223 3.1223 3.3058 3.3058 4.1473 4.1473 4.1669 4.1669 4.2541 4.2541 4.2969 4.2969 4.3962 4.3962 4.4181 4.4181 5.0259 5.0259 5.1098 5.1098 5.1321 5.1321 5.2361 5.2361 8.3198 8.3198 8.6225 8.6225 9.1542 9.1542 9.7466 9.7466 10.7000 10.7000 k = 0.4318 0.2493-0.0000 ( 5104 PWs) bands (ev): -24.0183 -24.0183 -24.0168 -24.0168 -7.8746 -7.8746 -7.7892 -7.7892 -7.5773 -7.5773 -7.5430 -7.5430 -7.4729 -7.4729 -7.4340 -7.4340 -6.3564 -6.3564 -6.1571 -6.1571 1.2297 1.2297 1.5126 1.5126 2.9857 2.9857 3.0383 3.0383 3.1255 3.1255 3.3018 3.3018 4.1481 4.1481 4.1671 4.1671 4.2438 4.2438 4.2865 4.2865 4.3889 4.3889 4.4113 4.4113 5.0028 5.0028 5.0976 5.0976 5.1468 5.1468 5.2473 5.2473 8.2723 8.2723 8.6108 8.6108 9.1744 9.1744 9.7331 9.7331 10.7074 10.7074 k = 0.4432 0.2559-0.0000 ( 5100 PWs) bands (ev): -24.0181 -24.0181 -24.0166 -24.0166 -7.8771 -7.8771 -7.7897 -7.7897 -7.5770 -7.5770 -7.5423 -7.5423 -7.4718 -7.4718 -7.4339 -7.4339 -6.3558 -6.3558 -6.1497 -6.1497 1.2100 1.2100 1.4976 1.4976 2.9947 2.9947 3.0479 3.0479 3.1280 3.1280 3.2986 3.2986 4.1485 4.1485 4.1677 4.1677 4.2336 4.2336 4.2772 4.2772 4.3835 4.3835 4.4064 4.4064 4.9824 4.9824 5.0790 5.0790 5.1688 5.1688 5.2567 5.2567 8.2313 8.2313 8.6008 8.6008 9.1916 9.1916 9.7218 9.7218 10.7132 10.7132 k = 0.4545 0.2624-0.0000 ( 5116 PWs) bands (ev): -24.0180 -24.0180 -24.0165 -24.0165 -7.8791 -7.8791 -7.7902 -7.7902 -7.5769 -7.5769 -7.5417 -7.5417 -7.4707 -7.4707 -7.4337 -7.4337 -6.3554 -6.3554 -6.1435 -6.1435 1.1937 1.1937 1.4852 1.4852 3.0021 3.0021 3.0559 3.0559 3.1298 3.1298 3.2960 3.2960 4.1487 4.1487 4.1686 4.1686 4.2241 4.2241 4.2692 4.2692 4.3797 4.3797 4.4029 4.4029 4.9653 4.9653 5.0629 5.0629 5.1885 5.1885 5.2640 5.2640 8.1971 8.1971 8.5925 8.5925 9.2056 9.2056 9.7125 9.7125 10.7175 10.7175 k = 0.4659 0.2690-0.0000 ( 5116 PWs) bands (ev): -24.0178 -24.0178 -24.0163 -24.0163 -7.8807 -7.8807 -7.7905 -7.7905 -7.5769 -7.5769 -7.5413 -7.5413 -7.4698 -7.4698 -7.4336 -7.4336 -6.3551 -6.3551 -6.1386 -6.1386 1.1810 1.1810 1.4755 1.4755 3.0080 3.0080 3.0623 3.0623 3.1312 3.1312 3.2942 3.2942 4.1487 4.1487 4.1698 4.1698 4.2159 4.2159 4.2630 4.2630 4.3771 4.3771 4.4005 4.4005 4.9518 4.9518 5.0501 5.0501 5.2050 5.2050 5.2694 5.2694 8.1701 8.1701 8.5861 8.5861 9.2165 9.2165 9.7054 9.7054 10.7207 10.7207 k = 0.4773 0.2756-0.0000 ( 5116 PWs) bands (ev): -24.0177 -24.0177 -24.0163 -24.0163 -7.8819 -7.8819 -7.7908 -7.7908 -7.5769 -7.5769 -7.5409 -7.5409 -7.4692 -7.4692 -7.4335 -7.4335 -6.3550 -6.3550 -6.1351 -6.1351 1.1719 1.1719 1.4686 1.4686 3.0122 3.0122 3.0670 3.0670 3.1322 3.1322 3.2929 3.2929 4.1486 4.1486 4.1712 4.1712 4.2094 4.2094 4.2586 4.2586 4.3753 4.3753 4.3988 4.3988 4.9421 4.9421 5.0409 5.0409 5.2174 5.2174 5.2729 5.2729 8.1505 8.1505 8.5814 8.5814 9.2243 9.2243 9.7003 9.7003 10.7228 10.7228 k = 0.4886 0.2821-0.0000 ( 5116 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8826 -7.8826 -7.7910 -7.7910 -7.5769 -7.5769 -7.5407 -7.5407 -7.4687 -7.4687 -7.4335 -7.4335 -6.3549 -6.3549 -6.1330 -6.1330 1.1664 1.1664 1.4644 1.4644 3.0147 3.0147 3.0699 3.0699 3.1328 3.1328 3.2922 3.2922 4.1485 4.1485 4.1723 4.1723 4.2051 4.2051 4.2558 4.2558 4.3743 4.3743 4.3980 4.3980 4.9362 4.9362 5.0353 5.0353 5.2252 5.2252 5.2747 5.2747 8.1387 8.1387 8.5787 8.5787 9.2290 9.2290 9.6972 9.6972 10.7240 10.7240 k = 0.5000 0.2887-0.0000 ( 5126 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8828 -7.8828 -7.7911 -7.7911 -7.5769 -7.5769 -7.5407 -7.5407 -7.4686 -7.4686 -7.4335 -7.4335 -6.3548 -6.3548 -6.1322 -6.1322 1.1645 1.1645 1.4630 1.4630 3.0156 3.0156 3.0708 3.0708 3.1329 3.1329 3.2919 3.2919 4.1485 4.1485 4.1727 4.1727 4.2035 4.2035 4.2548 4.2548 4.3740 4.3740 4.3977 4.3977 4.9342 4.9342 5.0334 5.0334 5.2278 5.2278 5.2753 5.2753 8.1348 8.1348 8.5777 8.5777 9.2306 9.2306 9.6962 9.6962 10.7244 10.7244 k = 0.5000 0.2887-0.0000 ( 5126 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8828 -7.8828 -7.7911 -7.7911 -7.5769 -7.5769 -7.5407 -7.5407 -7.4686 -7.4686 -7.4335 -7.4335 -6.3548 -6.3548 -6.1322 -6.1322 1.1645 1.1645 1.4630 1.4630 3.0156 3.0156 3.0708 3.0708 3.1329 3.1329 3.2919 3.2919 4.1485 4.1485 4.1727 4.1727 4.2035 4.2035 4.2548 4.2548 4.3740 4.3740 4.3977 4.3977 4.9342 4.9342 5.0334 5.0334 5.2278 5.2278 5.2753 5.2753 8.1348 8.1348 8.5777 8.5777 9.2306 9.2306 9.6962 9.6962 10.7244 10.7244 k = 0.4936 0.2998-0.0000 ( 5122 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8826 -7.8826 -7.7911 -7.7911 -7.5769 -7.5769 -7.5407 -7.5407 -7.4687 -7.4687 -7.4336 -7.4336 -6.3544 -6.3544 -6.1323 -6.1323 1.1655 1.1655 1.4634 1.4634 3.0148 3.0148 3.0695 3.0695 3.1331 3.1331 3.2917 3.2917 4.1478 4.1478 4.1732 4.1732 4.2027 4.2027 4.2548 4.2548 4.3740 4.3740 4.3974 4.3974 4.9317 4.9317 5.0302 5.0302 5.2282 5.2282 5.2760 5.2760 8.1362 8.1362 8.5853 8.5853 9.2362 9.2362 9.6931 9.6931 10.7269 10.7269 k = 0.4872 0.3109-0.0000 ( 5108 PWs) bands (ev): -24.0176 -24.0176 -24.0162 -24.0162 -7.8821 -7.8821 -7.7909 -7.7909 -7.5772 -7.5772 -7.5408 -7.5408 -7.4690 -7.4690 -7.4340 -7.4340 -6.3532 -6.3532 -6.1326 -6.1326 1.1686 1.1686 1.4645 1.4645 3.0126 3.0126 3.0655 3.0655 3.1337 3.1337 3.2911 3.2911 4.1458 4.1458 4.1745 4.1745 4.2001 4.2001 4.2547 4.2547 4.3738 4.3738 4.3966 4.3966 4.9240 4.9240 5.0210 5.0210 5.2293 5.2293 5.2779 5.2779 8.1404 8.1404 8.6079 8.6079 9.2531 9.2531 9.6838 9.6838 10.7343 10.7343 k = 0.4808 0.3220-0.0000 ( 5104 PWs) bands (ev): -24.0176 -24.0176 -24.0161 -24.0161 -7.8813 -7.8813 -7.7908 -7.7908 -7.5776 -7.5776 -7.5409 -7.5409 -7.4696 -7.4696 -7.4346 -7.4346 -6.3511 -6.3511 -6.1330 -6.1330 1.1736 1.1736 1.4663 1.4663 3.0087 3.0087 3.0589 3.0589 3.1346 3.1346 3.2900 3.2900 4.1428 4.1428 4.1764 4.1764 4.1959 4.1959 4.2545 4.2545 4.3735 4.3735 4.3953 4.3953 4.9113 4.9113 5.0061 5.0061 5.2312 5.2312 5.2812 5.2812 8.1474 8.1474 8.6449 8.6449 9.2807 9.2807 9.6687 9.6687 10.7468 10.7468 k = 0.4744 0.3331-0.0000 ( 5114 PWs) bands (ev): -24.0176 -24.0176 -24.0161 -24.0161 -7.8802 -7.8802 -7.7906 -7.7906 -7.5783 -7.5783 -7.5411 -7.5411 -7.4703 -7.4703 -7.4354 -7.4354 -6.3482 -6.3482 -6.1336 -6.1336 1.1806 1.1806 1.4689 1.4689 3.0030 3.0030 3.0498 3.0498 3.1359 3.1359 3.2885 3.2885 4.1392 4.1392 4.1781 4.1781 4.1903 4.1903 4.2540 4.2540 4.3730 4.3730 4.3935 4.3935 4.8938 4.8938 4.9866 4.9866 5.2338 5.2338 5.2855 5.2855 8.1572 8.1572 8.6955 8.6955 9.3185 9.3185 9.6479 9.6479 10.7643 10.7643 k = 0.4679 0.3442-0.0000 ( 5114 PWs) bands (ev): -24.0175 -24.0175 -24.0160 -24.0160 -7.8787 -7.8787 -7.7903 -7.7903 -7.5791 -7.5791 -7.5413 -7.5413 -7.4713 -7.4713 -7.4365 -7.4365 -6.3446 -6.3446 -6.1344 -6.1344 1.1895 1.1895 1.4721 1.4721 2.9950 2.9950 3.0386 3.0386 3.1377 3.1377 3.2866 3.2866 4.1350 4.1350 4.1784 4.1784 4.1847 4.1847 4.2534 4.2534 4.3723 4.3723 4.3913 4.3913 4.8718 4.8718 4.9636 4.9636 5.2373 5.2373 5.2910 5.2910 8.1696 8.1696 8.7585 8.7585 9.3658 9.3658 9.6219 9.6219 10.7868 10.7868 k = 0.4615 0.3553-0.0000 ( 5122 PWs) bands (ev): -24.0175 -24.0175 -24.0160 -24.0160 -7.8770 -7.8770 -7.7900 -7.7900 -7.5802 -7.5802 -7.5416 -7.5416 -7.4725 -7.4725 -7.4377 -7.4377 -6.3402 -6.3402 -6.1353 -6.1353 1.2002 1.2002 1.4760 1.4760 2.9842 2.9842 3.0258 3.0258 3.1400 3.1400 3.2843 3.2843 4.1305 4.1305 4.1721 4.1721 4.1842 4.1842 4.2526 4.2526 4.3713 4.3713 4.3886 4.3886 4.8458 4.8458 4.9384 4.9384 5.2415 5.2415 5.2974 5.2974 8.1846 8.1846 8.8328 8.8328 9.4212 9.4212 9.5914 9.5914 10.8146 10.8146 k = 0.4551 0.3664-0.0000 ( 5130 PWs) bands (ev): -24.0174 -24.0174 -24.0159 -24.0159 -7.8749 -7.8749 -7.7896 -7.7896 -7.5816 -7.5816 -7.5418 -7.5418 -7.4738 -7.4738 -7.4390 -7.4390 -6.3352 -6.3352 -6.1365 -6.1365 1.2128 1.2128 1.4804 1.4804 2.9697 2.9697 3.0122 3.0122 3.1427 3.1427 3.2817 3.2817 4.1257 4.1257 4.1624 4.1624 4.1857 4.1857 4.2515 4.2515 4.3700 4.3700 4.3857 4.3857 4.8165 4.8165 4.9120 4.9120 5.2465 5.2465 5.3047 5.3047 8.2021 8.2021 8.9168 8.9168 9.4831 9.4831 9.5575 9.5575 10.8475 10.8475 k = 0.4487 0.3775-0.0000 ( 5122 PWs) bands (ev): -24.0173 -24.0173 -24.0159 -24.0159 -7.8726 -7.8726 -7.7892 -7.7892 -7.5833 -7.5833 -7.5419 -7.5419 -7.4752 -7.4752 -7.4404 -7.4404 -6.3295 -6.3295 -6.1378 -6.1378 1.2271 1.2271 1.4855 1.4855 2.9511 2.9511 2.9985 2.9985 3.1458 3.1458 3.2789 3.2789 4.1207 4.1207 4.1513 4.1513 4.1874 4.1874 4.2502 4.2502 4.3681 4.3681 4.3829 4.3829 4.7847 4.7847 4.8852 4.8852 5.2523 5.2523 5.3127 5.3127 8.2220 8.2220 9.0090 9.0090 9.5135 9.5135 9.5576 9.5576 10.8858 10.8858 k = 0.4423 0.3886-0.0000 ( 5118 PWs) bands (ev): -24.0172 -24.0172 -24.0158 -24.0158 -7.8701 -7.8701 -7.7887 -7.7887 -7.5853 -7.5853 -7.5421 -7.5421 -7.4767 -7.4767 -7.4418 -7.4418 -6.3232 -6.3232 -6.1393 -6.1393 1.2429 1.2429 1.4911 1.4911 2.9280 2.9280 2.9848 2.9848 3.1494 3.1494 3.2758 3.2758 4.1153 4.1153 4.1393 4.1393 4.1890 4.1890 4.2486 4.2486 4.3654 4.3654 4.3803 4.3803 4.7515 4.7515 4.8588 4.8588 5.2587 5.2587 5.3213 5.3213 8.2441 8.2441 9.1078 9.1078 9.4745 9.4745 9.6284 9.6284 10.9296 10.9296 k = 0.4359 0.3997-0.0000 ( 5122 PWs) bands (ev): -24.0172 -24.0172 -24.0157 -24.0157 -7.8674 -7.8674 -7.7883 -7.7883 -7.5877 -7.5877 -7.5421 -7.5421 -7.4783 -7.4783 -7.4433 -7.4433 -6.3164 -6.3164 -6.1410 -6.1410 1.2603 1.2603 1.4971 1.4971 2.9010 2.9010 2.9710 2.9710 3.1532 3.1532 3.2726 3.2726 4.1095 4.1095 4.1269 4.1269 4.1903 4.1903 4.2468 4.2468 4.3617 4.3617 4.3783 4.3783 4.7177 4.7177 4.8331 4.8331 5.2659 5.2659 5.3304 5.3304 8.2682 8.2682 9.2112 9.2112 9.4313 9.4313 9.7043 9.7043 10.9790 10.9790 k = 0.4295 0.4108-0.0000 ( 5126 PWs) bands (ev): -24.0171 -24.0171 -24.0156 -24.0156 -7.8646 -7.8646 -7.7878 -7.7878 -7.5903 -7.5903 -7.5422 -7.5422 -7.4798 -7.4798 -7.4447 -7.4447 -6.3091 -6.3091 -6.1429 -6.1429 1.2789 1.2789 1.5035 1.5035 2.8705 2.8705 2.9569 2.9569 3.1574 3.1574 3.2692 3.2692 4.1024 4.1024 4.1152 4.1152 4.1913 4.1913 4.2448 4.2448 4.3569 4.3569 4.3767 4.3767 4.6846 4.6846 4.8084 4.8084 5.2736 5.2736 5.3399 5.3399 8.2942 8.2942 9.3153 9.3153 9.3888 9.3888 9.7816 9.7816 11.0343 11.0343 k = 0.4231 0.4219-0.0000 ( 5128 PWs) bands (ev): -24.0170 -24.0170 -24.0155 -24.0155 -7.8616 -7.8616 -7.7873 -7.7873 -7.5933 -7.5933 -7.5422 -7.5422 -7.4814 -7.4814 -7.4461 -7.4461 -6.3014 -6.3014 -6.1450 -6.1450 1.2986 1.2986 1.5104 1.5104 2.8370 2.8370 2.9426 2.9426 3.1617 3.1617 3.2658 3.2658 4.0926 4.0926 4.1058 4.1058 4.1921 4.1921 4.2424 4.2424 4.3514 4.3514 4.3755 4.3755 4.6528 4.6528 4.7851 4.7851 5.2817 5.2817 5.3496 5.3496 8.3218 8.3218 9.3324 9.3324 9.4334 9.4334 9.8587 9.8587 11.0957 11.0957 k = 0.4167 0.4330-0.0000 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0154 -24.0154 -7.8585 -7.8585 -7.7868 -7.7868 -7.5964 -7.5964 -7.5422 -7.5422 -7.4829 -7.4829 -7.4474 -7.4474 -6.2934 -6.2934 -6.1472 -6.1472 1.3191 1.3191 1.5175 1.5175 2.8011 2.8011 2.9279 2.9279 3.1662 3.1662 3.2624 3.2624 4.0804 4.0804 4.0990 4.0990 4.1926 4.1926 4.2397 4.2397 4.3454 4.3454 4.3745 4.3745 4.6231 4.6231 4.7633 4.7633 5.2904 5.2904 5.3595 5.3595 8.3509 8.3509 9.2861 9.2861 9.5406 9.5406 9.9337 9.9337 11.1634 11.1634 k = 0.4103 0.4441-0.0000 ( 5126 PWs) bands (ev): -24.0167 -24.0167 -24.0153 -24.0153 -7.8554 -7.8554 -7.7864 -7.7864 -7.5998 -7.5998 -7.5422 -7.5422 -7.4842 -7.4842 -7.4486 -7.4486 -6.2852 -6.2852 -6.1497 -6.1497 1.3401 1.3401 1.5250 1.5250 2.7631 2.7631 2.9130 2.9130 3.1706 3.1706 3.2591 3.2591 4.0673 4.0673 4.0934 4.0934 4.1928 4.1928 4.2366 4.2366 4.3391 4.3391 4.3737 4.3737 4.5957 4.5957 4.7429 4.7429 5.2993 5.2993 5.3694 5.3694 8.3812 8.3812 9.2376 9.2376 9.6480 9.6480 10.0051 10.0051 11.2377 11.2377 k = 0.4038 0.4552-0.0000 ( 5126 PWs) bands (ev): -24.0166 -24.0166 -24.0152 -24.0152 -7.8523 -7.8523 -7.7859 -7.7859 -7.6033 -7.6033 -7.5423 -7.5423 -7.4855 -7.4855 -7.4497 -7.4497 -6.2767 -6.2767 -6.1524 -6.1524 1.3613 1.3613 1.5329 1.5329 2.7238 2.7238 2.8981 2.8981 3.1749 3.1749 3.2560 3.2560 4.0543 4.0543 4.0883 4.0883 4.1927 4.1927 4.2330 4.2330 4.3327 4.3327 4.3730 4.3730 4.5712 4.5712 4.7243 4.7243 5.3084 5.3084 5.3791 5.3791 8.4125 8.4125 9.1888 9.1888 9.7523 9.7523 10.0715 10.0715 11.3187 11.3187 k = 0.3974 0.4663-0.0000 ( 5122 PWs) bands (ev): -24.0165 -24.0165 -24.0151 -24.0151 -7.8493 -7.8493 -7.7855 -7.7855 -7.6068 -7.6068 -7.5423 -7.5423 -7.4865 -7.4865 -7.4508 -7.4508 -6.2682 -6.2682 -6.1553 -6.1553 1.3823 1.3823 1.5411 1.5411 2.6837 2.6837 2.8835 2.8835 3.1790 3.1790 3.2531 3.2531 4.0418 4.0418 4.0836 4.0836 4.1924 4.1924 4.2289 4.2289 4.3266 4.3266 4.3724 4.3724 4.5495 4.5495 4.7074 4.7074 5.3176 5.3176 5.3887 5.3887 8.4444 8.4444 9.1402 9.1402 9.8518 9.8518 10.1320 10.1320 11.4066 11.4066 k = 0.3910 0.4774-0.0000 ( 5122 PWs) bands (ev): -24.0164 -24.0164 -24.0150 -24.0150 -7.8463 -7.8463 -7.7851 -7.7851 -7.6103 -7.6103 -7.5425 -7.5425 -7.4873 -7.4873 -7.4517 -7.4517 -6.2597 -6.2597 -6.1584 -6.1584 1.4024 1.4024 1.5498 1.5498 2.6437 2.6437 2.8694 2.8694 3.1827 3.1827 3.2505 3.2505 4.0300 4.0300 4.0793 4.0793 4.1919 4.1919 4.2243 4.2243 4.3209 4.3209 4.3718 4.3718 4.5307 4.5307 4.6921 4.6921 5.3268 5.3268 5.3978 5.3978 8.4767 8.4767 9.0924 9.0924 9.9448 9.9448 10.1858 10.1858 11.5013 11.5013 k = 0.3846 0.4885-0.0000 ( 5118 PWs) bands (ev): -24.0163 -24.0163 -24.0149 -24.0149 -7.8436 -7.8436 -7.7847 -7.7847 -7.6137 -7.6137 -7.5427 -7.5427 -7.4880 -7.4880 -7.4525 -7.4525 -6.2512 -6.2512 -6.1617 -6.1617 1.4211 1.4211 1.5590 1.5590 2.6044 2.6044 2.8560 2.8560 3.1860 3.1860 3.2484 3.2484 4.0192 4.0192 4.0753 4.0753 4.1912 4.1912 4.2194 4.2194 4.3160 4.3160 4.3713 4.3713 4.5146 4.5146 4.6785 4.6785 5.3357 5.3357 5.4064 5.4064 8.5091 8.5091 9.0456 9.0456 10.0298 10.0298 10.2327 10.2327 11.6024 11.6024 k = 0.3782 0.4996-0.0000 ( 5124 PWs) bands (ev): -24.0162 -24.0162 -24.0148 -24.0148 -7.8411 -7.8411 -7.7844 -7.7844 -7.6169 -7.6169 -7.5430 -7.5430 -7.4884 -7.4884 -7.4532 -7.4532 -6.2429 -6.2429 -6.1652 -6.1652 1.4379 1.4379 1.5688 1.5688 2.5668 2.5668 2.8436 2.8436 3.1888 3.1888 3.2467 3.2467 4.0094 4.0094 4.0717 4.0717 4.1903 4.1903 4.2141 4.2141 4.3118 4.3118 4.3708 4.3708 4.5009 4.5009 4.6666 4.6666 5.3443 5.3443 5.4144 5.4144 8.5414 8.5414 9.0002 9.0002 10.1057 10.1057 10.2727 10.2727 11.7094 11.7094 k = 0.3718 0.5107-0.0000 ( 5124 PWs) bands (ev): -24.0161 -24.0161 -24.0147 -24.0147 -7.8388 -7.8388 -7.7841 -7.7841 -7.6199 -7.6199 -7.5433 -7.5433 -7.4887 -7.4887 -7.4538 -7.4538 -6.2348 -6.2348 -6.1689 -6.1689 1.4522 1.4522 1.5790 1.5790 2.5317 2.5317 2.8325 2.8325 3.1909 3.1909 3.2454 3.2454 4.0008 4.0008 4.0686 4.0686 4.1894 4.1894 4.2088 4.2088 4.3084 4.3084 4.3703 4.3703 4.4897 4.4897 4.6563 4.6563 5.3523 5.3523 5.4216 5.4216 8.5733 8.5733 8.9566 8.9566 10.1711 10.1711 10.3065 10.3065 11.8098 11.8098 k = 0.3654 0.5218-0.0000 ( 5124 PWs) bands (ev): -24.0161 -24.0161 -24.0147 -24.0147 -7.8368 -7.8368 -7.7839 -7.7839 -7.6225 -7.6225 -7.5437 -7.5437 -7.4888 -7.4888 -7.4543 -7.4543 -6.2270 -6.2270 -6.1728 -6.1728 1.4639 1.4639 1.5892 1.5892 2.5000 2.5000 2.8229 2.8229 3.1925 3.1925 3.2447 3.2447 3.9933 3.9933 4.0659 4.0659 4.1884 4.1884 4.2038 4.2038 4.3058 4.3058 4.3699 4.3699 4.4805 4.4805 4.6475 4.6475 5.3597 5.3597 5.4280 5.4280 8.6045 8.6045 8.9150 8.9150 10.2252 10.2252 10.3349 10.3349 11.7643 11.7643 k = 0.3590 0.5329-0.0000 ( 5132 PWs) bands (ev): -24.0160 -24.0160 -24.0146 -24.0146 -7.8352 -7.8352 -7.7837 -7.7837 -7.6247 -7.6247 -7.5440 -7.5440 -7.4887 -7.4887 -7.4547 -7.4547 -6.2197 -6.2197 -6.1768 -6.1768 1.4728 1.4728 1.5990 1.5990 2.4727 2.4727 2.8149 2.8149 3.1936 3.1936 3.2443 3.2443 3.9871 3.9871 4.0636 4.0636 4.1875 4.1875 4.1993 4.1993 4.3039 4.3039 4.3695 4.3695 4.4731 4.4731 4.6403 4.6403 5.3662 5.3662 5.4333 5.4333 8.6349 8.6349 8.8757 8.8757 10.2672 10.2672 10.3586 10.3586 11.7262 11.7262 k = 0.3526 0.5440-0.0000 ( 5140 PWs) bands (ev): -24.0160 -24.0160 -24.0146 -24.0146 -7.8340 -7.8340 -7.7835 -7.7835 -7.6265 -7.6265 -7.5443 -7.5443 -7.4886 -7.4886 -7.4550 -7.4550 -6.2129 -6.2129 -6.1809 -6.1809 1.4792 1.4792 1.6075 1.6075 2.4506 2.4506 2.8086 2.8086 3.1941 3.1941 3.2443 3.2443 3.9822 3.9822 4.0619 4.0619 4.1866 4.1866 4.1955 4.1955 4.3025 4.3025 4.3692 4.3692 4.4676 4.4676 4.6347 4.6347 5.3716 5.3716 5.4376 5.4376 8.6643 8.6643 8.8390 8.8390 10.2974 10.2974 10.3782 10.3782 11.6964 11.6964 k = 0.3462 0.5551-0.0000 ( 5132 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8331 -7.8331 -7.7834 -7.7834 -7.6278 -7.6278 -7.5446 -7.5446 -7.4885 -7.4885 -7.4552 -7.4552 -6.2067 -6.2067 -6.1850 -6.1850 1.4834 1.4834 1.6141 1.6141 2.4345 2.4345 2.8042 2.8042 3.1944 3.1944 3.2444 3.2444 3.9787 3.9787 4.0607 4.0607 4.1858 4.1858 4.1928 4.1928 4.3016 4.3016 4.3690 4.3690 4.4637 4.4637 4.6308 4.6308 5.3758 5.3758 5.4407 5.4407 8.6927 8.6927 8.8052 8.8052 10.3167 10.3167 10.3931 10.3931 11.6749 11.6749 k = 0.3397 0.5662-0.0000 ( 5116 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8326 -7.8326 -7.7833 -7.7833 -7.6286 -7.6286 -7.5447 -7.5447 -7.4883 -7.4883 -7.4554 -7.4554 -6.2016 -6.2016 -6.1889 -6.1889 1.4857 1.4857 1.6182 1.6182 2.4247 2.4247 2.8015 2.8015 3.1946 3.1946 3.2445 3.2445 3.9766 3.9766 4.0600 4.0600 4.1852 4.1852 4.1912 4.1912 4.3011 4.3011 4.3689 4.3689 4.4615 4.4615 4.6284 4.6284 5.3785 5.3785 5.4426 5.4426 8.7199 8.7199 8.7745 8.7745 10.3271 10.3271 10.4026 10.4026 11.6621 11.6621 k = 0.3333 0.5774-0.0000 ( 5124 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8325 -7.8325 -7.7833 -7.7833 -7.6288 -7.6288 -7.5448 -7.5448 -7.4883 -7.4883 -7.4554 -7.4554 -6.1991 -6.1991 -6.1910 -6.1910 1.4864 1.4864 1.6195 1.6195 2.4214 2.4214 2.8007 2.8007 3.1946 3.1946 3.2446 3.2446 3.9758 3.9758 4.0598 4.0598 4.1849 4.1849 4.1907 4.1907 4.3009 4.3009 4.3688 4.3688 4.4606 4.4606 4.6275 4.6275 5.3794 5.3794 5.4432 5.4432 8.7425 8.7425 8.7506 8.7506 10.3303 10.3303 10.4057 10.4057 11.6578 11.6578 k = 0.3333 0.5774-0.0000 ( 5124 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8325 -7.8325 -7.7833 -7.7833 -7.6288 -7.6288 -7.5448 -7.5448 -7.4883 -7.4883 -7.4554 -7.4554 -6.1991 -6.1991 -6.1910 -6.1910 1.4864 1.4864 1.6195 1.6195 2.4214 2.4214 2.8007 2.8007 3.1946 3.1946 3.2446 3.2446 3.9758 3.9758 4.0598 4.0598 4.1849 4.1849 4.1907 4.1907 4.3009 4.3009 4.3688 4.3688 4.4606 4.4606 4.6275 4.6275 5.3794 5.3794 5.4432 5.4432 8.7425 8.7425 8.7506 8.7506 10.3303 10.3303 10.4057 10.4057 11.6578 11.6578 k = 0.3268 0.5660-0.0000 ( 5120 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8326 -7.8326 -7.7833 -7.7833 -7.6286 -7.6286 -7.5447 -7.5447 -7.4884 -7.4884 -7.4554 -7.4554 -6.2014 -6.2014 -6.1891 -6.1891 1.4857 1.4857 1.6182 1.6182 2.4247 2.4247 2.8015 2.8015 3.1946 3.1946 3.2445 3.2445 3.9766 3.9766 4.0600 4.0600 4.1853 4.1853 4.1913 4.1913 4.3011 4.3011 4.3689 4.3689 4.4615 4.4615 4.6284 4.6284 5.3784 5.3784 5.4426 5.4426 8.7216 8.7216 8.7729 8.7729 10.3272 10.3272 10.4026 10.4026 11.6622 11.6622 k = 0.3203 0.5547-0.0000 ( 5138 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8331 -7.8331 -7.7834 -7.7834 -7.6278 -7.6278 -7.5445 -7.5445 -7.4886 -7.4886 -7.4552 -7.4552 -6.2058 -6.2058 -6.1862 -6.1862 1.4840 1.4840 1.6147 1.6147 2.4340 2.4340 2.8039 2.8039 3.1946 3.1946 3.2442 3.2442 3.9790 3.9790 4.0607 4.0607 4.1860 4.1860 4.1930 4.1930 4.3015 4.3015 4.3690 4.3690 4.4639 4.4639 4.6309 4.6309 5.3750 5.3750 5.4406 5.4406 8.7009 8.7009 8.7981 8.7981 10.3178 10.3178 10.3940 10.3940 11.6752 11.6752 k = 0.3137 0.5434-0.0000 ( 5150 PWs) bands (ev): -24.0160 -24.0160 -24.0146 -24.0146 -7.8337 -7.8337 -7.7835 -7.7835 -7.6266 -7.6266 -7.5442 -7.5442 -7.4890 -7.4890 -7.4550 -7.4550 -6.2105 -6.2105 -6.1838 -6.1838 1.4814 1.4814 1.6096 1.6096 2.4487 2.4487 2.8077 2.8077 3.1947 3.1947 3.2438 3.2438 3.9831 3.9831 4.0617 4.0617 4.1870 4.1870 4.1963 4.1963 4.3023 4.3023 4.3692 4.3692 4.4680 4.4680 4.6354 4.6354 5.3691 5.3691 5.4372 5.4372 8.6841 8.6841 8.8231 8.8231 10.3017 10.3017 10.3816 10.3816 11.6965 11.6965 k = 0.3072 0.5321-0.0000 ( 5154 PWs) bands (ev): -24.0161 -24.0161 -24.0147 -24.0147 -7.8344 -7.8344 -7.7837 -7.7837 -7.6250 -7.6250 -7.5438 -7.5438 -7.4897 -7.4897 -7.4547 -7.4547 -6.2155 -6.2155 -6.1823 -6.1823 1.4781 1.4781 1.6040 1.6040 2.4678 2.4678 2.8126 2.8126 3.1947 3.1947 3.2434 3.2434 3.9890 3.9890 4.0633 4.0633 4.1883 4.1883 4.2012 4.2012 4.3033 4.3033 4.3696 4.3696 4.4741 4.4741 4.6417 4.6417 5.3607 5.3607 5.4326 5.4326 8.6713 8.6713 8.8480 8.8480 10.2783 10.2783 10.3671 10.3671 11.7256 11.7256 k = 0.3007 0.5207-0.0000 ( 5150 PWs) bands (ev): -24.0162 -24.0162 -24.0147 -24.0147 -7.8352 -7.8352 -7.7839 -7.7839 -7.6229 -7.6229 -7.5432 -7.5432 -7.4905 -7.4905 -7.4543 -7.4543 -6.2204 -6.2204 -6.1818 -6.1818 1.4743 1.4743 1.5985 1.5985 2.4903 2.4903 2.8184 2.8184 3.1946 3.1946 3.2430 3.2430 3.9970 3.9970 4.0651 4.0651 4.1897 4.1897 4.2078 4.2078 4.3048 4.3048 4.3700 4.3700 4.4821 4.4821 4.6500 4.6500 5.3495 5.3495 5.4266 5.4266 8.6626 8.6626 8.8733 8.8733 10.2475 10.2475 10.3516 10.3516 11.7620 11.7620 k = 0.2941 0.5094-0.0000 ( 5142 PWs) bands (ev): -24.0163 -24.0163 -24.0148 -24.0148 -7.8360 -7.8360 -7.7841 -7.7841 -7.6206 -7.6206 -7.5426 -7.5426 -7.4915 -7.4915 -7.4538 -7.4538 -6.2254 -6.2254 -6.1823 -6.1823 1.4704 1.4704 1.5940 1.5940 2.5151 2.5151 2.8248 2.8248 3.1942 3.1942 3.2429 3.2429 4.0070 4.0070 4.0673 4.0673 4.1912 4.1912 4.2162 4.2162 4.3068 4.3068 4.3706 4.3706 4.4922 4.4922 4.6603 4.6603 5.3356 5.3356 5.4192 5.4192 8.6583 8.6583 8.8993 8.8993 10.2098 10.2098 10.3356 10.3356 11.8052 11.8052 k = 0.2876 0.4981-0.0000 ( 5142 PWs) bands (ev): -24.0164 -24.0164 -24.0150 -24.0150 -7.8368 -7.8368 -7.7844 -7.7844 -7.6180 -7.6180 -7.5419 -7.5419 -7.4927 -7.4927 -7.4533 -7.4533 -6.2304 -6.2304 -6.1839 -6.1839 1.4666 1.4666 1.5910 1.5910 2.5414 2.5414 2.8314 2.8314 3.1933 3.1933 3.2434 3.2434 4.0191 4.0191 4.0697 4.0697 4.1928 4.1928 4.2261 4.2261 4.3094 4.3094 4.3712 4.3712 4.5046 4.5046 4.6728 4.6728 5.3190 5.3190 5.4103 5.4103 8.6584 8.6584 8.9264 8.9264 10.1660 10.1660 10.3189 10.3189 11.8543 11.8543 k = 0.2810 0.4868-0.0000 ( 5140 PWs) bands (ev): -24.0166 -24.0166 -24.0151 -24.0151 -7.8374 -7.8374 -7.7846 -7.7846 -7.6153 -7.6153 -7.5412 -7.5412 -7.4941 -7.4941 -7.4527 -7.4527 -6.2353 -6.2353 -6.1867 -6.1867 1.4634 1.4634 1.5900 1.5900 2.5683 2.5683 2.8380 2.8380 3.1917 3.1917 3.2446 3.2446 4.0334 4.0334 4.0724 4.0724 4.1943 4.1943 4.2374 4.2374 4.3129 4.3129 4.3721 4.3721 4.5195 4.5195 4.6875 4.6875 5.2997 5.2997 5.3999 5.3999 8.6629 8.6629 8.9549 8.9549 10.1172 10.1172 10.3013 10.3013 11.9086 11.9086 k = 0.2745 0.4755-0.0000 ( 5136 PWs) bands (ev): -24.0168 -24.0168 -24.0153 -24.0153 -7.8378 -7.8378 -7.7849 -7.7849 -7.6123 -7.6123 -7.5406 -7.5406 -7.4955 -7.4955 -7.4521 -7.4521 -6.2401 -6.2401 -6.1906 -6.1906 1.4611 1.4611 1.5913 1.5913 2.5951 2.5951 2.8444 2.8444 3.1891 3.1891 3.2468 3.2468 4.0498 4.0498 4.0756 4.0756 4.1958 4.1958 4.2496 4.2496 4.3179 4.3179 4.3731 4.3731 4.5370 4.5370 4.7045 4.7045 5.2779 5.2779 5.3879 5.3879 8.6719 8.6719 8.9852 8.9852 10.0642 10.0642 10.2827 10.2827 11.9566 11.9566 k = 0.2680 0.4641-0.0000 ( 5132 PWs) bands (ev): -24.0170 -24.0170 -24.0155 -24.0155 -7.8379 -7.8379 -7.7852 -7.7852 -7.6093 -7.6093 -7.5402 -7.5402 -7.4968 -7.4968 -7.4515 -7.4515 -6.2448 -6.2448 -6.1958 -6.1958 1.4602 1.4602 1.5948 1.5948 2.6209 2.6209 2.8503 2.8503 3.1855 3.1855 3.2501 3.2501 4.0668 4.0668 4.0807 4.0807 4.1971 4.1971 4.2620 4.2620 4.3251 4.3251 4.3745 4.3745 4.5574 4.5574 4.7239 4.7239 5.2538 5.2538 5.3743 5.3743 8.6853 8.6853 9.0175 9.0175 10.0077 10.0077 10.2628 10.2628 11.8783 11.8783 k = 0.2614 0.4528-0.0000 ( 5125 PWs) bands (ev): -24.0172 -24.0172 -24.0157 -24.0157 -7.8379 -7.8379 -7.7855 -7.7855 -7.6063 -7.6063 -7.5401 -7.5401 -7.4980 -7.4980 -7.4509 -7.4509 -6.2493 -6.2493 -6.2021 -6.2021 1.4612 1.4612 1.6008 1.6008 2.6454 2.6454 2.8554 2.8554 3.1809 3.1809 3.2545 3.2545 4.0768 4.0768 4.0951 4.0951 4.1982 4.1982 4.2735 4.2735 4.3355 4.3355 4.3762 4.3762 4.5808 4.5808 4.7459 4.7459 5.2274 5.2274 5.3591 5.3591 8.7033 8.7033 9.0521 9.0521 9.9481 9.9481 10.2415 10.2415 11.7784 11.7784 k = 0.2549 0.4415-0.0000 ( 5119 PWs) bands (ev): -24.0175 -24.0175 -24.0160 -24.0160 -7.8374 -7.8374 -7.7859 -7.7859 -7.6033 -7.6033 -7.5403 -7.5403 -7.4989 -7.4989 -7.4502 -7.4502 -6.2536 -6.2536 -6.2097 -6.2097 1.4643 1.4643 1.6091 1.6091 2.6679 2.6679 2.8596 2.8596 3.1753 3.1753 3.2601 3.2601 4.0809 4.0809 4.1175 4.1175 4.1992 4.1992 4.2833 4.2833 4.3499 4.3499 4.3787 4.3787 4.6075 4.6075 4.7705 4.7705 5.1991 5.1991 5.3424 5.3424 8.7257 8.7257 9.0890 9.0890 9.8859 9.8859 10.2187 10.2187 11.6772 11.6772 k = 0.2484 0.4302-0.0000 ( 5113 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8367 -7.8367 -7.7864 -7.7864 -7.6005 -7.6005 -7.5408 -7.5408 -7.4995 -7.4995 -7.4496 -7.4496 -6.2578 -6.2578 -6.2184 -6.2184 1.4698 1.4698 1.6197 1.6197 2.6882 2.6882 2.8628 2.8628 3.1687 3.1687 3.2666 3.2666 4.0840 4.0840 4.1426 4.1426 4.1999 4.1999 4.2914 4.2914 4.3674 4.3674 4.3830 4.3830 4.6375 4.6375 4.7978 4.7978 5.1690 5.1690 5.3241 5.3241 8.7525 8.7525 9.1283 9.1283 9.8216 9.8216 10.1942 10.1942 11.5757 11.5757 k = 0.2418 0.4189-0.0000 ( 5123 PWs) bands (ev): -24.0181 -24.0181 -24.0166 -24.0166 -7.8356 -7.8356 -7.7870 -7.7870 -7.5977 -7.5977 -7.5419 -7.5419 -7.4995 -7.4995 -7.4490 -7.4490 -6.2617 -6.2617 -6.2283 -6.2283 1.4779 1.4779 1.6327 1.6327 2.7060 2.7060 2.8647 2.8647 3.1614 3.1614 3.2742 3.2742 4.0867 4.0867 4.1688 4.1688 4.2005 4.2005 4.2983 4.2983 4.3811 4.3811 4.3961 4.3961 4.6710 4.6710 4.8280 4.8280 5.1373 5.1373 5.3043 5.3043 8.7837 8.7837 9.1702 9.1702 9.7553 9.7553 10.1681 10.1681 11.4746 11.4746 k = 0.2353 0.4075-0.0000 ( 5125 PWs) bands (ev): -24.0184 -24.0184 -24.0169 -24.0169 -7.8341 -7.8341 -7.7877 -7.7877 -7.5953 -7.5953 -7.5433 -7.5433 -7.4990 -7.4990 -7.4484 -7.4484 -6.2654 -6.2654 -6.2393 -6.2393 1.4889 1.4889 1.6479 1.6479 2.7211 2.7211 2.8654 2.8654 3.1532 3.1532 3.2827 3.2827 4.0893 4.0893 4.1929 4.1929 4.2030 4.2030 4.3050 4.3050 4.3886 4.3886 4.4203 4.4203 4.7080 4.7080 4.8610 4.8610 5.1045 5.1045 5.2831 5.2831 8.8192 8.8192 9.2145 9.2145 9.6873 9.6873 10.1402 10.1402 11.3744 11.3744 k = 0.2288 0.3962-0.0000 ( 5125 PWs) bands (ev): -24.0187 -24.0187 -24.0172 -24.0172 -7.8322 -7.8322 -7.7885 -7.7885 -7.5931 -7.5931 -7.5448 -7.5448 -7.4980 -7.4980 -7.4477 -7.4477 -6.2690 -6.2690 -6.2514 -6.2514 1.5028 1.5028 1.6653 1.6653 2.7335 2.7335 2.8648 2.8648 3.1443 3.1443 3.2921 3.2921 4.0917 4.0917 4.1985 4.1985 4.2220 4.2220 4.3122 4.3122 4.3976 4.3976 4.4484 4.4484 4.7485 4.7485 4.8969 4.8969 5.0709 5.0709 5.2608 5.2608 8.8589 8.8589 9.2613 9.2613 9.6179 9.6179 10.1104 10.1104 11.2755 11.2755 k = 0.2222 0.3849-0.0000 ( 5131 PWs) bands (ev): -24.0191 -24.0191 -24.0176 -24.0176 -7.8301 -7.8301 -7.7896 -7.7896 -7.5914 -7.5914 -7.5464 -7.5464 -7.4966 -7.4966 -7.4472 -7.4472 -6.2728 -6.2728 -6.2641 -6.2641 1.5196 1.5196 1.6848 1.6848 2.7431 2.7431 2.8628 2.8628 3.1347 3.1347 3.3024 3.3024 4.0938 4.0938 4.1984 4.1984 4.2426 4.2426 4.3203 4.3203 4.4109 4.4109 4.4791 4.4791 4.7922 4.7922 4.9356 4.9356 5.0370 5.0370 5.2372 5.2372 8.9027 8.9027 9.3102 9.3102 9.5473 9.5473 10.0787 10.0787 11.1781 11.1781 k = 0.2157 0.3736-0.0000 ( 5137 PWs) bands (ev): -24.0195 -24.0195 -24.0180 -24.0180 -7.8275 -7.8275 -7.7910 -7.7910 -7.5902 -7.5902 -7.5477 -7.5477 -7.4947 -7.4947 -7.4466 -7.4466 -6.2809 -6.2809 -6.2733 -6.2733 1.5394 1.5394 1.7063 1.7063 2.7501 2.7501 2.8596 2.8596 3.1244 3.1244 3.3136 3.3136 4.0957 4.0957 4.1978 4.1978 4.2584 4.2584 4.3290 4.3290 4.4306 4.4306 4.5119 4.5119 4.8382 4.8382 4.9768 4.9768 5.0044 5.0044 5.2128 5.2128 8.9506 8.9506 9.3609 9.3609 9.4757 9.4757 10.0450 10.0450 11.0825 11.0825 k = 0.2092 0.3623-0.0000 ( 5139 PWs) bands (ev): -24.0200 -24.0200 -24.0184 -24.0184 -7.8247 -7.8247 -7.7926 -7.7926 -7.5896 -7.5896 -7.5486 -7.5486 -7.4926 -7.4926 -7.4460 -7.4460 -6.2954 -6.2954 -6.2767 -6.2767 1.5620 1.5620 1.7298 1.7298 2.7546 2.7546 2.8551 2.8551 3.1134 3.1134 3.3256 3.3256 4.0974 4.0974 4.1968 4.1968 4.2691 4.2691 4.3370 4.3370 4.4576 4.4576 4.5467 4.5467 4.8822 4.8822 4.9757 4.9757 5.0216 5.0216 5.1881 5.1881 9.0025 9.0025 9.3989 9.3989 9.4177 9.4177 10.0093 10.0093 10.9889 10.9889 k = 0.2026 0.3509-0.0000 ( 5143 PWs) bands (ev): -24.0204 -24.0204 -24.0188 -24.0188 -7.8216 -7.8216 -7.7945 -7.7945 -7.5896 -7.5896 -7.5488 -7.5488 -7.4901 -7.4901 -7.4455 -7.4455 -6.3115 -6.3115 -6.2793 -6.2793 1.5875 1.5875 1.7551 1.7551 2.7567 2.7567 2.8494 2.8494 3.1017 3.1017 3.3384 3.3384 4.0989 4.0989 4.1955 4.1955 4.2762 4.2762 4.3434 4.3434 4.4911 4.4911 4.5832 4.5832 4.9004 4.9004 4.9770 4.9770 5.0664 5.0664 5.1649 5.1649 9.0582 9.0582 9.3282 9.3282 9.4688 9.4688 9.9717 9.9717 10.8975 10.8975 k = 0.1961 0.3396-0.0000 ( 5147 PWs) bands (ev): -24.0209 -24.0209 -24.0193 -24.0193 -7.8186 -7.8186 -7.7965 -7.7965 -7.5902 -7.5902 -7.5484 -7.5484 -7.4875 -7.4875 -7.4449 -7.4449 -6.3286 -6.3286 -6.2814 -6.2814 1.6157 1.6157 1.7821 1.7821 2.7567 2.7567 2.8426 2.8426 3.0895 3.0895 3.3520 3.3520 4.1000 4.1000 4.1941 4.1941 4.2808 4.2808 4.3485 4.3485 4.5298 4.5298 4.6215 4.6215 4.8789 4.8789 5.0204 5.0204 5.1018 5.1018 5.1543 5.1543 9.1176 9.1176 9.2539 9.2539 9.5239 9.5239 9.9321 9.9321 10.8084 10.8084 k = 0.1895 0.3283-0.0000 ( 5147 PWs) bands (ev): -24.0213 -24.0213 -24.0197 -24.0197 -7.8162 -7.8162 -7.7981 -7.7981 -7.5911 -7.5911 -7.5473 -7.5473 -7.4846 -7.4846 -7.4443 -7.4443 -6.3465 -6.3465 -6.2833 -6.2833 1.6465 1.6465 1.8107 1.8107 2.7547 2.7547 2.8348 2.8348 3.0766 3.0766 3.3664 3.3664 4.1008 4.1008 4.1925 4.1925 4.2840 4.2840 4.3524 4.3524 4.5720 4.5720 4.6613 4.6613 4.8481 4.8481 5.0661 5.0661 5.1065 5.1065 5.1873 5.1873 9.1757 9.1757 9.1837 9.1837 9.5793 9.5793 9.8909 9.8909 10.7217 10.7217 k = 0.1830 0.3170-0.0000 ( 5143 PWs) bands (ev): -24.0218 -24.0218 -24.0202 -24.0202 -7.8155 -7.8155 -7.7984 -7.7984 -7.5922 -7.5922 -7.5456 -7.5456 -7.4816 -7.4816 -7.4438 -7.4438 -6.3652 -6.3652 -6.2849 -6.2849 1.6797 1.6797 1.8407 1.8407 2.7510 2.7510 2.8261 2.8261 3.0631 3.0631 3.3816 3.3816 4.1012 4.1012 4.1908 4.1908 4.2862 4.2862 4.3556 4.3556 4.6164 4.6164 4.7023 4.7023 4.8170 4.8170 5.0593 5.0593 5.1511 5.1511 5.2396 5.2396 9.1026 9.1026 9.2477 9.2477 9.6338 9.6338 9.8488 9.8488 10.6374 10.6374 k = 0.1765 0.3057-0.0000 ( 5143 PWs) bands (ev): -24.0223 -24.0223 -24.0207 -24.0207 -7.8174 -7.8174 -7.7964 -7.7964 -7.5933 -7.5933 -7.5435 -7.5435 -7.4785 -7.4785 -7.4432 -7.4432 -6.3845 -6.3845 -6.2862 -6.2862 1.7152 1.7152 1.8720 1.8720 2.7458 2.7458 2.8166 2.8166 3.0490 3.0490 3.3975 3.3975 4.1012 4.1012 4.1890 4.1890 4.2877 4.2877 4.3583 4.3583 4.6607 4.6607 4.7418 4.7418 4.7917 4.7917 5.0333 5.0333 5.2149 5.2149 5.2969 5.2969 9.0263 9.0263 9.3179 9.3179 9.6827 9.6827 9.8100 9.8100 10.5555 10.5555 k = 0.1699 0.2943-0.0000 ( 5159 PWs) bands (ev): -24.0228 -24.0228 -24.0212 -24.0212 -7.8214 -7.8214 -7.7927 -7.7927 -7.5942 -7.5942 -7.5410 -7.5410 -7.4753 -7.4753 -7.4427 -7.4427 -6.4045 -6.4045 -6.2873 -6.2873 1.7527 1.7527 1.9044 1.9044 2.7391 2.7391 2.8064 2.8064 3.0343 3.0343 3.4142 3.4142 4.1008 4.1008 4.1871 4.1871 4.2887 4.2887 4.3605 4.3605 4.6954 4.6954 4.7590 4.7590 4.8024 4.8024 5.0051 5.0051 5.2824 5.2824 5.3570 5.3570 8.9494 8.9494 9.3914 9.3914 9.7033 9.7033 9.7966 9.7966 10.4762 10.4762 k = 0.1634 0.2830-0.0000 ( 5155 PWs) bands (ev): -24.0233 -24.0233 -24.0217 -24.0217 -7.8268 -7.8268 -7.7880 -7.7880 -7.5948 -7.5948 -7.5381 -7.5381 -7.4721 -7.4721 -7.4422 -7.4422 -6.4249 -6.4249 -6.2882 -6.2882 1.7921 1.7921 1.9377 1.9377 2.7313 2.7313 2.7958 2.7958 3.0192 3.0192 3.4315 3.4315 4.0999 4.0999 4.1852 4.1852 4.2894 4.2894 4.3625 4.3625 4.6932 4.6932 4.7845 4.7845 4.8454 4.8454 4.9771 4.9771 5.3521 5.3521 5.4193 5.4193 8.8722 8.8722 9.4683 9.4683 9.6723 9.6723 9.8311 9.8311 10.3995 10.3995 k = 0.1569 0.2717-0.0000 ( 5151 PWs) bands (ev): -24.0238 -24.0238 -24.0222 -24.0222 -7.8332 -7.8332 -7.7828 -7.7828 -7.5950 -7.5950 -7.5349 -7.5349 -7.4687 -7.4687 -7.4416 -7.4416 -6.4458 -6.4458 -6.2889 -6.2889 1.8331 1.8331 1.9718 1.9718 2.7226 2.7226 2.7847 2.7847 3.0037 3.0037 3.4496 3.4496 4.0987 4.0987 4.1833 4.1833 4.2898 4.2898 4.3642 4.3642 4.6695 4.6695 4.8277 4.8277 4.8931 4.8931 4.9529 4.9529 5.4230 5.4230 5.4832 5.4832 8.7947 8.7947 9.5482 9.5482 9.6222 9.6222 9.8809 9.8809 10.3252 10.3252 k = 0.1503 0.2604-0.0000 ( 5139 PWs) bands (ev): -24.0243 -24.0243 -24.0227 -24.0227 -7.8403 -7.8403 -7.7773 -7.7773 -7.5949 -7.5949 -7.5315 -7.5315 -7.4653 -7.4653 -7.4410 -7.4410 -6.4670 -6.4670 -6.2894 -6.2894 1.8754 1.8754 2.0063 2.0063 2.7130 2.7130 2.7733 2.7733 2.9878 2.9878 3.4683 3.4683 4.0970 4.0970 4.1814 4.1814 4.2900 4.2900 4.3658 4.3658 4.6426 4.6426 4.8600 4.8600 4.9345 4.9345 4.9542 4.9542 5.4947 5.4947 5.5484 5.5484 8.7169 8.7169 9.5648 9.5648 9.6319 9.6319 9.9325 9.9325 10.2534 10.2534 k = 0.1438 0.2491-0.0000 ( 5139 PWs) bands (ev): -24.0249 -24.0249 -24.0231 -24.0231 -7.8480 -7.8480 -7.7716 -7.7716 -7.5943 -7.5943 -7.5278 -7.5278 -7.4619 -7.4619 -7.4405 -7.4405 -6.4884 -6.4884 -6.2897 -6.2897 1.9188 1.9188 2.0412 2.0412 2.7027 2.7027 2.7617 2.7617 2.9715 2.9715 3.4877 3.4877 4.0948 4.0948 4.1795 4.1795 4.2900 4.2900 4.3671 4.3671 4.6158 4.6158 4.8542 4.8542 4.9724 4.9724 5.0024 5.0024 5.5667 5.5667 5.6146 5.6146 8.6389 8.6389 9.5036 9.5036 9.7179 9.7179 9.9832 9.9832 10.1842 10.1842 k = 0.1373 0.2377-0.0000 ( 5139 PWs) bands (ev): -24.0254 -24.0254 -24.0237 -24.0237 -7.8562 -7.8562 -7.7658 -7.7658 -7.5934 -7.5934 -7.5238 -7.5238 -7.4584 -7.4584 -7.4399 -7.4399 -6.5100 -6.5100 -6.2899 -6.2899 1.9631 1.9631 2.0762 2.0762 2.6920 2.6920 2.7501 2.7501 2.9550 2.9550 3.5076 3.5076 4.0922 4.0922 4.1775 4.1775 4.2899 4.2899 4.3682 4.3682 4.5901 4.5901 4.8289 4.8289 5.0274 5.0274 5.0579 5.0579 5.6385 5.6385 5.6814 5.6814 8.5607 8.5607 9.4384 9.4384 9.8068 9.8068 10.0313 10.0313 10.1180 10.1180 k = 0.1307 0.2264-0.0000 ( 5153 PWs) bands (ev): -24.0259 -24.0259 -24.0241 -24.0241 -7.8648 -7.8648 -7.7600 -7.7600 -7.5922 -7.5922 -7.5196 -7.5196 -7.4549 -7.4549 -7.4394 -7.4394 -6.5317 -6.5317 -6.2900 -6.2900 2.0078 2.0078 2.1111 2.1111 2.6808 2.6808 2.7385 2.7385 2.9383 2.9383 3.5282 3.5282 4.0893 4.0893 4.1754 4.1754 4.2896 4.2896 4.3691 4.3691 4.5658 4.5658 4.7988 4.7988 5.0886 5.0886 5.1164 5.1164 5.7098 5.7098 5.7484 5.7484 8.4823 8.4823 9.3695 9.3695 9.8981 9.8981 10.0494 10.0494 10.0820 10.0820 k = 0.1242 0.2151-0.0000 ( 5145 PWs) bands (ev): -24.0264 -24.0264 -24.0246 -24.0246 -7.8736 -7.8736 -7.7541 -7.7541 -7.5907 -7.5907 -7.5151 -7.5151 -7.4514 -7.4514 -7.4388 -7.4388 -6.5534 -6.5534 -6.2899 -6.2899 2.0528 2.0528 2.1457 2.1457 2.6694 2.6694 2.7269 2.7269 2.9216 2.9216 3.5494 3.5494 4.0860 4.0860 4.1733 4.1733 4.2893 4.2893 4.3698 4.3698 4.5433 4.5433 4.7674 4.7674 5.1534 5.1534 5.1778 5.1778 5.7800 5.7800 5.8153 5.8153 8.4037 8.4037 9.2969 9.2969 9.9748 9.9748 10.0075 10.0075 10.1224 10.1224 k = 0.1176 0.2038-0.0000 ( 5149 PWs) bands (ev): -24.0269 -24.0269 -24.0251 -24.0251 -7.8826 -7.8826 -7.7484 -7.7484 -7.5890 -7.5890 -7.5103 -7.5103 -7.4480 -7.4480 -7.4382 -7.4382 -6.5749 -6.5749 -6.2898 -6.2898 2.0977 2.0977 2.1798 2.1798 2.6579 2.6579 2.7156 2.7156 2.9049 2.9049 3.5710 3.5710 4.0824 4.0824 4.1711 4.1711 4.2889 4.2889 4.3702 4.3702 4.5225 4.5225 4.7352 4.7352 5.2208 5.2208 5.2421 5.2421 5.8487 5.8487 5.8818 5.8818 8.3249 8.3249 9.2206 9.2206 9.9259 9.9259 10.0938 10.0938 10.1616 10.1616 k = 0.1111 0.1925-0.0000 ( 5143 PWs) bands (ev): -24.0274 -24.0274 -24.0256 -24.0256 -7.8916 -7.8916 -7.7428 -7.7428 -7.5871 -7.5871 -7.5052 -7.5052 -7.4445 -7.4445 -7.4377 -7.4377 -6.5963 -6.5963 -6.2895 -6.2895 2.1422 2.1422 2.2132 2.2132 2.6464 2.6464 2.7045 2.7045 2.8883 2.8883 3.5932 3.5932 4.0786 4.0786 4.1689 4.1689 4.2884 4.2884 4.3704 4.3704 4.5037 4.5037 4.7028 4.7028 5.2901 5.2901 5.3098 5.3098 5.9155 5.9155 5.9478 5.9478 8.2458 8.2458 9.1406 9.1406 9.8683 9.8683 10.1926 10.1926 10.1980 10.1980 k = 0.1046 0.1811-0.0000 ( 5151 PWs) bands (ev): -24.0279 -24.0279 -24.0260 -24.0260 -7.9006 -7.9006 -7.7375 -7.7375 -7.5851 -7.5851 -7.4999 -7.4999 -7.4411 -7.4411 -7.4371 -7.4371 -6.6174 -6.6174 -6.2892 -6.2892 2.1860 2.1860 2.2457 2.2457 2.6350 2.6350 2.6938 2.6938 2.8720 2.8720 3.6158 3.6158 4.0745 4.0745 4.1665 4.1665 4.2878 4.2878 4.3701 4.3701 4.4868 4.4868 4.6704 4.6704 5.3611 5.3611 5.3809 5.3809 5.9798 5.9798 6.0127 6.0127 8.1665 8.1665 9.0572 9.0572 9.8122 9.8122 10.2294 10.2294 10.2957 10.2957 k = 0.0980 0.1698-0.0000 ( 5151 PWs) bands (ev): -24.0283 -24.0283 -24.0265 -24.0265 -7.9095 -7.9095 -7.7324 -7.7324 -7.5830 -7.5830 -7.4944 -7.4944 -7.4377 -7.4377 -7.4364 -7.4364 -6.6380 -6.6380 -6.2889 -6.2889 2.2288 2.2288 2.2771 2.2771 2.6239 2.6239 2.6834 2.6834 2.8560 2.8560 3.6389 3.6389 4.0702 4.0702 4.1640 4.1640 4.2873 4.2873 4.3695 4.3695 4.4720 4.4720 4.6380 4.6380 5.4335 5.4335 5.4556 5.4556 6.0415 6.0415 6.0764 6.0764 8.0867 8.0867 8.9704 8.9704 9.7580 9.7580 10.2577 10.2577 10.4006 10.4006 k = 0.0915 0.1585-0.0000 ( 5155 PWs) bands (ev): -24.0287 -24.0287 -24.0269 -24.0269 -7.9181 -7.9181 -7.7275 -7.7275 -7.5809 -7.5809 -7.4887 -7.4887 -7.4358 -7.4358 -7.4345 -7.4345 -6.6582 -6.6582 -6.2885 -6.2885 2.2701 2.2701 2.3074 2.3074 2.6131 2.6131 2.6735 2.6735 2.8406 2.8406 3.6623 3.6623 4.0659 4.0659 4.1614 4.1614 4.2867 4.2867 4.3684 4.3684 4.4591 4.4591 4.6059 4.6059 5.5078 5.5078 5.5334 5.5334 6.1001 6.1001 6.1384 6.1384 8.0064 8.0064 8.8804 8.8804 9.7057 9.7057 10.2823 10.2823 10.5079 10.5079 k = 0.0850 0.1472-0.0000 ( 5155 PWs) bands (ev): -24.0292 -24.0292 -24.0273 -24.0273 -7.9265 -7.9265 -7.7230 -7.7230 -7.5788 -7.5788 -7.4828 -7.4828 -7.4351 -7.4351 -7.4313 -7.4313 -6.6778 -6.6778 -6.2880 -6.2880 2.3096 2.3096 2.3365 2.3365 2.6028 2.6028 2.6641 2.6641 2.8257 2.8257 3.6860 3.6860 4.0614 4.0614 4.1587 4.1587 4.2861 4.2861 4.3668 4.3668 4.4483 4.4483 4.5741 4.5741 5.5840 5.5840 5.6139 5.6139 6.1554 6.1554 6.1984 6.1984 7.9254 7.9254 8.7876 8.7876 9.6555 9.6555 10.3034 10.3034 10.6173 10.6173 k = 0.0784 0.1358-0.0000 ( 5159 PWs) bands (ev): -24.0296 -24.0296 -24.0277 -24.0277 -7.9345 -7.9345 -7.7188 -7.7188 -7.5767 -7.5767 -7.4770 -7.4770 -7.4342 -7.4342 -7.4282 -7.4282 -6.6967 -6.6967 -6.2876 -6.2876 2.3463 2.3463 2.3648 2.3648 2.5930 2.5930 2.6552 2.6552 2.8116 2.8116 3.7100 3.7100 4.0569 4.0569 4.1559 4.1559 4.2856 4.2856 4.3646 4.3646 4.4394 4.4394 4.5428 4.5428 5.6624 5.6624 5.6966 5.6966 6.2073 6.2073 6.2559 6.2559 7.8438 7.8438 8.6925 8.6925 9.6074 9.6074 10.3211 10.3211 10.7287 10.7287 k = 0.0719 0.1245-0.0000 ( 5163 PWs) bands (ev): -24.0299 -24.0299 -24.0281 -24.0281 -7.9422 -7.9422 -7.7149 -7.7149 -7.5747 -7.5747 -7.4712 -7.4712 -7.4333 -7.4333 -7.4253 -7.4253 -6.7147 -6.7147 -6.2872 -6.2872 2.3781 2.3781 2.3940 2.3940 2.5839 2.5839 2.6469 2.6469 2.7982 2.7982 3.7342 3.7342 4.0524 4.0524 4.1531 4.1531 4.2850 4.2850 4.3620 4.3620 4.4323 4.4323 4.5120 4.5120 5.7429 5.7429 5.7812 5.7812 6.2554 6.2554 6.3105 6.3105 7.7612 7.7612 8.5954 8.5954 9.5616 9.5616 10.3359 10.3359 10.8419 10.8419 k = 0.0654 0.1132-0.0000 ( 5167 PWs) bands (ev): -24.0303 -24.0303 -24.0284 -24.0284 -7.9493 -7.9493 -7.7114 -7.7114 -7.5728 -7.5728 -7.4656 -7.4656 -7.4322 -7.4322 -7.4226 -7.4226 -6.7318 -6.7318 -6.2867 -6.2867 2.4040 2.4040 2.4246 2.4246 2.5757 2.5757 2.6392 2.6392 2.7859 2.7859 3.7584 3.7584 4.0479 4.0479 4.1503 4.1503 4.2844 4.2844 4.3591 4.3591 4.4267 4.4267 4.4820 4.4820 5.8256 5.8256 5.8670 5.8670 6.2998 6.2998 6.3619 6.3619 7.6777 7.6777 8.4971 8.4971 9.5183 9.5183 10.3479 10.3479 10.9554 10.9554 k = 0.0588 0.1019-0.0000 ( 5163 PWs) bands (ev): -24.0306 -24.0306 -24.0287 -24.0287 -7.9559 -7.9559 -7.7083 -7.7083 -7.5710 -7.5710 -7.4604 -7.4604 -7.4308 -7.4308 -7.4200 -7.4200 -6.7479 -6.7479 -6.2863 -6.2863 2.4255 2.4255 2.4548 2.4548 2.5685 2.5685 2.6322 2.6322 2.7745 2.7745 3.7826 3.7826 4.0433 4.0433 4.1476 4.1476 4.2838 4.2838 4.3560 4.3560 4.4225 4.4225 4.4530 4.4530 5.9103 5.9103 5.9537 5.9537 6.3403 6.3403 6.4097 6.4097 7.5931 7.5931 8.3983 8.3983 9.4776 9.4776 10.3576 10.3576 10.9623 10.9623 k = 0.0523 0.0906-0.0000 ( 5165 PWs) bands (ev): -24.0309 -24.0309 -24.0290 -24.0290 -7.9619 -7.9619 -7.7055 -7.7055 -7.5694 -7.5694 -7.4557 -7.4557 -7.4290 -7.4290 -7.4176 -7.4176 -6.7627 -6.7627 -6.2859 -6.2859 2.4437 2.4437 2.4828 2.4828 2.5623 2.5623 2.6260 2.6260 2.7643 2.7643 3.8067 3.8067 4.0387 4.0387 4.1450 4.1450 4.2832 4.2832 4.3529 4.3529 4.4186 4.4186 4.4257 4.4257 5.9967 5.9967 6.0403 6.0403 6.3766 6.3766 6.4535 6.4535 7.5074 7.5074 8.3000 8.3000 9.4399 9.4399 10.3652 10.3652 10.9468 10.9468 k = 0.0458 0.0792-0.0000 ( 5165 PWs) bands (ev): -24.0312 -24.0312 -24.0292 -24.0292 -7.9674 -7.9674 -7.7031 -7.7031 -7.5679 -7.5679 -7.4518 -7.4518 -7.4269 -7.4269 -7.4154 -7.4154 -6.7763 -6.7763 -6.2856 -6.2856 2.4589 2.4589 2.5081 2.5081 2.5576 2.5576 2.6206 2.6206 2.7552 2.7552 3.8305 3.8305 4.0340 4.0340 4.1426 4.1426 4.2825 4.2825 4.3499 4.3499 4.3981 4.3981 4.4175 4.4175 6.0848 6.0848 6.1259 6.1259 6.4089 6.4089 6.4930 6.4930 7.4207 7.4207 8.2035 8.2035 9.4056 9.4056 10.3711 10.3711 10.9332 10.9332 k = 0.0392 0.0679-0.0000 ( 5153 PWs) bands (ev): -24.0314 -24.0314 -24.0294 -24.0294 -7.9721 -7.9721 -7.7010 -7.7010 -7.5666 -7.5666 -7.4487 -7.4487 -7.4244 -7.4244 -7.4135 -7.4135 -6.7883 -6.7883 -6.2852 -6.2852 2.4710 2.4710 2.5301 2.5301 2.5545 2.5545 2.6160 2.6160 2.7474 2.7474 3.8537 3.8537 4.0291 4.0291 4.1404 4.1404 4.2817 4.2817 4.3472 4.3472 4.3739 4.3739 4.4157 4.4157 6.1740 6.1740 6.2091 6.2091 6.4369 6.4369 6.5279 6.5279 7.3331 7.3331 8.1102 8.1102 9.3749 9.3749 10.3755 10.3755 10.9216 10.9216 k = 0.0327 0.0566-0.0000 ( 5159 PWs) bands (ev): -24.0316 -24.0316 -24.0296 -24.0296 -7.9762 -7.9762 -7.6993 -7.6993 -7.5655 -7.5655 -7.4465 -7.4465 -7.4217 -7.4217 -7.4118 -7.4118 -6.7988 -6.7988 -6.2849 -6.2849 2.4800 2.4800 2.5475 2.5475 2.5540 2.5540 2.6125 2.6125 2.7409 2.7409 3.8760 3.8760 4.0239 4.0239 4.1385 4.1385 4.2805 4.2805 4.3439 4.3439 4.3527 4.3527 4.4144 4.4144 6.2639 6.2639 6.2881 6.2881 6.4608 6.4608 6.5580 6.5580 7.2448 7.2448 8.0223 8.0223 9.3481 9.3481 10.3788 10.3788 10.9115 10.9115 k = 0.0261 0.0453-0.0000 ( 5155 PWs) bands (ev): -24.0318 -24.0318 -24.0297 -24.0297 -7.9796 -7.9796 -7.6979 -7.6979 -7.5645 -7.5645 -7.4448 -7.4448 -7.4191 -7.4191 -7.4104 -7.4104 -6.8076 -6.8076 -6.2847 -6.2847 2.4862 2.4862 2.5516 2.5516 2.5645 2.5645 2.6102 2.6102 2.7356 2.7356 3.8972 3.8972 4.0182 4.0182 4.1369 4.1369 4.2789 4.2789 4.3318 4.3318 4.3441 4.3441 4.4135 4.4135 6.3537 6.3537 6.3605 6.3605 6.4804 6.4804 6.5830 6.5830 7.1565 7.1565 7.9423 7.9423 9.3258 9.3258 10.3811 10.3811 10.9027 10.9027 k = 0.0196 0.0340-0.0000 ( 5157 PWs) bands (ev): -24.0319 -24.0319 -24.0299 -24.0299 -7.9822 -7.9822 -7.6968 -7.6968 -7.5638 -7.5638 -7.4437 -7.4437 -7.4167 -7.4167 -7.4093 -7.4093 -6.8146 -6.8146 -6.2845 -6.2845 2.4899 2.4899 2.5525 2.5525 2.5748 2.5748 2.6095 2.6095 2.7316 2.7316 3.9166 3.9166 4.0120 4.0120 4.1356 4.1356 4.2765 4.2765 4.3175 4.3175 4.3421 4.3421 4.4129 4.4129 6.4228 6.4228 6.4421 6.4421 6.4959 6.4959 6.6028 6.6028 7.0694 7.0694 7.8735 7.8735 9.3080 9.3080 10.3827 10.3827 10.8943 10.8943 k = 0.0131 0.0226-0.0000 ( 5165 PWs) bands (ev): -24.0320 -24.0320 -24.0299 -24.0299 -7.9841 -7.9841 -7.6960 -7.6960 -7.5633 -7.5633 -7.4431 -7.4431 -7.4149 -7.4149 -7.4086 -7.4086 -6.8196 -6.8196 -6.2844 -6.2844 2.4920 2.4920 2.5537 2.5537 2.5811 2.5811 2.6102 2.6102 2.7287 2.7287 3.9334 3.9334 4.0053 4.0053 4.1346 4.1346 4.2733 4.2733 4.3078 4.3078 4.3409 4.3409 4.4125 4.4125 6.4710 6.4710 6.5077 6.5077 6.5253 6.5253 6.6177 6.6177 6.9865 6.9865 7.8199 7.8199 9.2951 9.2951 10.3838 10.3838 10.8862 10.8862 k = 0.0065 0.0113-0.0000 ( 5169 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9853 -7.9853 -7.6956 -7.6956 -7.5630 -7.5630 -7.4427 -7.4427 -7.4138 -7.4138 -7.4081 -7.4081 -6.8227 -6.8227 -6.2843 -6.2843 2.4929 2.4929 2.5545 2.5545 2.5840 2.5840 2.6114 2.6114 2.7270 2.7270 3.9460 3.9460 3.9992 3.9992 4.1340 4.1340 4.2704 4.2704 4.3027 4.3027 4.3402 4.3402 4.4123 4.4123 6.4993 6.4993 6.5178 6.5178 6.5925 6.5925 6.6299 6.6299 6.9163 6.9163 7.7854 7.7854 9.2873 9.2873 10.3844 10.3844 10.8798 10.8798 k = 0.0000 0.0000 0.0000 ( 5169 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9856 -7.9856 -7.6954 -7.6954 -7.5629 -7.5629 -7.4425 -7.4425 -7.4134 -7.4134 -7.4079 -7.4079 -6.8237 -6.8237 -6.2842 -6.2842 2.4932 2.4932 2.5549 2.5549 2.5848 2.5848 2.6120 2.6120 2.7265 2.7265 3.9510 3.9510 3.9963 3.9963 4.1338 4.1338 4.2692 4.2692 4.3012 4.3012 4.3399 4.3399 4.4122 4.4122 6.5066 6.5066 6.5237 6.5237 6.6150 6.6150 6.6424 6.6424 6.8844 6.8844 7.7735 7.7735 9.2847 9.2847 10.3846 10.3846 10.8773 10.8773 k = 0.0000 0.0000 0.0000 ( 5169 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9856 -7.9856 -7.6954 -7.6954 -7.5629 -7.5629 -7.4425 -7.4425 -7.4134 -7.4134 -7.4079 -7.4079 -6.8237 -6.8237 -6.2842 -6.2842 2.4932 2.4932 2.5549 2.5549 2.5848 2.5848 2.6120 2.6120 2.7265 2.7265 3.9510 3.9510 3.9963 3.9963 4.1338 4.1338 4.2692 4.2692 4.3012 4.3012 4.3399 4.3399 4.4122 4.4122 6.5066 6.5066 6.5237 6.5237 6.6150 6.6150 6.6424 6.6424 6.8844 6.8844 7.7735 7.7735 9.2847 9.2847 10.3846 10.3846 10.8773 10.8773 k = 0.0000 0.0000 0.0129 ( 5181 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9851 -7.9851 -7.6959 -7.6959 -7.5629 -7.5629 -7.4436 -7.4436 -7.4134 -7.4134 -7.4080 -7.4080 -6.8219 -6.8219 -6.2852 -6.2852 2.4936 2.4936 2.5550 2.5550 2.5847 2.5847 2.6119 2.6119 2.7280 2.7280 3.9352 3.9352 4.0080 4.0080 4.1338 4.1338 4.2704 4.2704 4.3012 4.3012 4.3398 4.3398 4.4121 4.4121 6.5068 6.5068 6.5239 6.5239 6.6147 6.6147 6.6421 6.6421 6.8876 6.8876 7.7727 7.7727 9.2857 9.2857 10.3803 10.3803 10.8788 10.8788 k = 0.0000 0.0000 0.0258 ( 5181 PWs) bands (ev): -24.0321 -24.0321 -24.0300 -24.0300 -7.9834 -7.9834 -7.6974 -7.6974 -7.5627 -7.5627 -7.4466 -7.4466 -7.4134 -7.4134 -7.4080 -7.4080 -6.8166 -6.8166 -6.2878 -6.2878 2.4947 2.4947 2.5553 2.5553 2.5842 2.5842 2.6115 2.6115 2.7325 2.7325 3.9043 3.9043 4.0269 4.0269 4.1336 4.1336 4.2743 4.2743 4.3014 4.3014 4.3396 4.3396 4.4119 4.4119 6.5075 6.5075 6.5246 6.5246 6.6138 6.6138 6.6413 6.6413 6.8974 6.8974 7.7701 7.7701 9.2885 9.2885 10.3677 10.3677 10.8832 10.8832 k = 0.0000 0.0000 0.0387 ( 5187 PWs) bands (ev): -24.0321 -24.0321 -24.0301 -24.0301 -7.9806 -7.9806 -7.6999 -7.6999 -7.5626 -7.5626 -7.4515 -7.4515 -7.4133 -7.4133 -7.4081 -7.4081 -6.8079 -6.8079 -6.2922 -6.2922 2.4966 2.4966 2.5559 2.5559 2.5835 2.5835 2.6109 2.6109 2.7402 2.7402 3.8675 3.8675 4.0441 4.0441 4.1333 4.1333 4.2803 4.2803 4.3018 4.3018 4.3391 4.3391 4.4115 4.4115 6.5085 6.5085 6.5258 6.5258 6.6123 6.6123 6.6400 6.6400 6.9134 6.9134 7.7659 7.7659 9.2934 9.2934 10.3471 10.3471 10.8906 10.8906 k = 0.0000 0.0000 0.0515 ( 5187 PWs) bands (ev): -24.0320 -24.0320 -24.0301 -24.0301 -7.9767 -7.9767 -7.7034 -7.7034 -7.5623 -7.5623 -7.4579 -7.4579 -7.4132 -7.4132 -7.4081 -7.4081 -6.7962 -6.7962 -6.2984 -6.2984 2.4990 2.4990 2.5568 2.5568 2.5825 2.5825 2.6100 2.6100 2.7509 2.7509 3.8268 3.8268 4.0585 4.0585 4.1330 4.1330 4.2882 4.2882 4.3024 4.3024 4.3385 4.3385 4.4111 4.4111 6.5100 6.5100 6.5274 6.5274 6.6104 6.6104 6.6381 6.6381 6.9353 6.9353 7.7598 7.7598 9.3003 9.3003 10.3189 10.3189 10.9010 10.9010 k = 0.0000 0.0000 0.0644 ( 5187 PWs) bands (ev): -24.0320 -24.0320 -24.0301 -24.0301 -7.9718 -7.9718 -7.7081 -7.7081 -7.5619 -7.5619 -7.4654 -7.4654 -7.4131 -7.4131 -7.4082 -7.4082 -6.7817 -6.7817 -6.3062 -6.3062 2.5020 2.5020 2.5578 2.5578 2.5812 2.5812 2.6090 2.6090 2.7649 2.7649 3.7829 3.7829 4.0702 4.0702 4.1326 4.1326 4.2972 4.2972 4.3031 4.3031 4.3378 4.3378 4.4105 4.4105 6.5118 6.5118 6.5295 6.5295 6.6080 6.6080 6.6358 6.6358 6.9625 6.9625 7.7518 7.7518 9.3094 9.3094 10.2838 10.2838 10.9143 10.9143 k = 0.0000 0.0000 0.0773 ( 5181 PWs) bands (ev): -24.0319 -24.0319 -24.0302 -24.0302 -7.9657 -7.9657 -7.7138 -7.7138 -7.5615 -7.5615 -7.4737 -7.4737 -7.4130 -7.4130 -7.4083 -7.4083 -6.7648 -6.7648 -6.3157 -6.3157 2.5054 2.5054 2.5591 2.5591 2.5797 2.5797 2.6077 2.6077 2.7820 2.7820 3.7364 3.7364 4.0796 4.0796 4.1322 4.1322 4.3039 4.3039 4.3069 4.3069 4.3369 4.3369 4.4100 4.4100 6.5141 6.5141 6.5320 6.5320 6.6051 6.6051 6.6329 6.6329 6.9946 6.9946 7.7419 7.7419 9.3208 9.3208 10.2426 10.2426 10.9305 10.9305 k = 0.0000 0.0000 0.0902 ( 5145 PWs) bands (ev): -24.0318 -24.0318 -24.0302 -24.0302 -7.9586 -7.9586 -7.7208 -7.7208 -7.5609 -7.5609 -7.4824 -7.4824 -7.4128 -7.4128 -7.4085 -7.4085 -6.7459 -6.7459 -6.3269 -6.3269 2.5091 2.5091 2.5606 2.5606 2.5780 2.5780 2.6063 2.6063 2.8024 2.8024 3.6876 3.6876 4.0872 4.0872 4.1317 4.1317 4.3049 4.3049 4.3169 4.3169 4.3360 4.3360 4.4093 4.4093 6.5167 6.5167 6.5350 6.5350 6.6020 6.6020 6.6297 6.6297 7.0308 7.0308 7.7299 7.7299 9.3347 9.3347 10.1962 10.1962 10.9496 10.9496 k = 0.0000 0.0000 0.1031 ( 5163 PWs) bands (ev): -24.0318 -24.0318 -24.0303 -24.0303 -7.9505 -7.9505 -7.7289 -7.7289 -7.5602 -7.5602 -7.4911 -7.4911 -7.4126 -7.4126 -7.4087 -7.4087 -6.7253 -6.7253 -6.3396 -6.3396 2.5129 2.5129 2.5623 2.5623 2.5759 2.5759 2.6046 2.6046 2.8260 2.8260 3.6371 3.6371 4.0932 4.0932 4.1310 4.1310 4.3059 4.3059 4.3265 4.3265 4.3348 4.3348 4.4082 4.4082 6.5197 6.5197 6.5383 6.5383 6.5985 6.5985 6.6260 6.6260 7.0705 7.0705 7.7157 7.7157 9.3512 9.3512 10.1454 10.1454 10.9716 10.9716 k = 0.0000 0.0000 0.1160 ( 5151 PWs) bands (ev): -24.0317 -24.0317 -24.0304 -24.0304 -7.9414 -7.9414 -7.7383 -7.7383 -7.5594 -7.5594 -7.4996 -7.4996 -7.4124 -7.4124 -7.4088 -7.4088 -6.7034 -6.7034 -6.3538 -6.3538 2.5169 2.5169 2.5641 2.5641 2.5736 2.5736 2.6027 2.6027 2.8529 2.8529 3.5853 3.5853 4.0982 4.0982 4.1303 4.1303 4.3072 4.3072 4.3336 4.3336 4.3359 4.3359 4.4071 4.4071 6.5230 6.5230 6.5421 6.5421 6.5947 6.5947 6.6220 6.6220 7.1130 7.1130 7.6992 7.6992 9.3706 9.3706 10.0914 10.0914 10.9965 10.9965 k = 0.0000 0.0000 0.1289 ( 5169 PWs) bands (ev): -24.0317 -24.0317 -24.0304 -24.0304 -7.9315 -7.9315 -7.7488 -7.7488 -7.5585 -7.5585 -7.5076 -7.5076 -7.4123 -7.4123 -7.4090 -7.4090 -6.6805 -6.6805 -6.3694 -6.3694 2.5209 2.5209 2.5661 2.5661 2.5711 2.5711 2.6007 2.6007 2.8828 2.8828 3.5326 3.5326 4.1024 4.1024 4.1293 4.1293 4.3085 4.3085 4.3321 4.3321 4.3446 4.3446 4.4056 4.4056 6.5265 6.5265 6.5461 6.5461 6.5906 6.5906 6.6176 6.6176 7.1576 7.1576 7.6801 7.6801 9.3930 9.3930 10.0350 10.0350 11.0241 11.0241 k = 0.0000 0.0000 0.1418 ( 5163 PWs) bands (ev): -24.0316 -24.0316 -24.0305 -24.0305 -7.9207 -7.9207 -7.7603 -7.7603 -7.5573 -7.5573 -7.5150 -7.5150 -7.4120 -7.4120 -7.4092 -7.4092 -6.6568 -6.6568 -6.3864 -6.3864 2.5250 2.5250 2.5683 2.5683 2.5683 2.5683 2.5985 2.5985 2.9158 2.9158 3.4793 3.4793 4.1060 4.1060 4.1283 4.1283 4.3100 4.3100 4.3306 4.3306 4.3528 4.3528 4.4039 4.4039 6.5304 6.5304 6.5505 6.5505 6.5863 6.5863 6.6129 6.6129 7.2034 7.2034 7.6585 7.6585 9.4186 9.4186 9.9772 9.9772 11.0545 11.0545 k = 0.0000 0.0000 0.1546 ( 5157 PWs) bands (ev): -24.0315 -24.0315 -24.0306 -24.0306 -7.9090 -7.9090 -7.7727 -7.7727 -7.5559 -7.5559 -7.5217 -7.5217 -7.4118 -7.4118 -7.4094 -7.4094 -6.6326 -6.6326 -6.4046 -6.4046 2.5290 2.5290 2.5654 2.5654 2.5706 2.5706 2.5962 2.5962 2.9516 2.9516 3.4259 3.4259 4.1091 4.1091 4.1273 4.1273 4.3115 4.3115 4.3291 4.3291 4.3602 4.3602 4.4020 4.4020 6.5345 6.5345 6.5551 6.5551 6.5818 6.5818 6.6080 6.6080 7.2499 7.2499 7.6341 7.6341 9.4477 9.4477 9.9189 9.9189 11.0875 11.0875 k = 0.0000 0.0000 0.1675 ( 5151 PWs) bands (ev): -24.0314 -24.0314 -24.0307 -24.0307 -7.8967 -7.8967 -7.7859 -7.7859 -7.5544 -7.5544 -7.5276 -7.5276 -7.4116 -7.4116 -7.4097 -7.4097 -6.6082 -6.6082 -6.4241 -6.4241 2.5330 2.5330 2.5624 2.5624 2.5730 2.5730 2.5937 2.5937 2.9902 2.9902 3.3727 3.3727 4.1118 4.1118 4.1261 4.1261 4.3132 4.3132 4.3275 4.3275 4.3669 4.3669 4.3998 4.3998 6.5389 6.5389 6.5600 6.5600 6.5771 6.5771 6.6028 6.6028 7.2963 7.2963 7.6070 7.6070 9.4802 9.4802 9.8609 9.8609 11.1232 11.1232 k = 0.0000 0.0000 0.1804 ( 5139 PWs) bands (ev): -24.0313 -24.0313 -24.0308 -24.0308 -7.8838 -7.8838 -7.7995 -7.7995 -7.5525 -7.5525 -7.5328 -7.5328 -7.4113 -7.4113 -7.4099 -7.4099 -6.5836 -6.5836 -6.4446 -6.4446 2.5371 2.5371 2.5591 2.5591 2.5756 2.5756 2.5912 2.5912 3.0313 3.0313 3.3200 3.3200 4.1142 4.1142 4.1248 4.1248 4.3150 4.3150 4.3257 4.3257 4.3729 4.3729 4.3973 4.3973 6.5434 6.5434 6.5651 6.5651 6.5724 6.5724 6.5976 6.5976 7.3420 7.3420 7.5769 7.5769 9.5164 9.5164 9.8040 9.8040 11.1614 11.1614 k = 0.0000 0.0000 0.1933 ( 5151 PWs) bands (ev): -24.0312 -24.0312 -24.0309 -24.0309 -7.8703 -7.8703 -7.8137 -7.8137 -7.5503 -7.5503 -7.5374 -7.5374 -7.4111 -7.4111 -7.4101 -7.4101 -6.5592 -6.5592 -6.4661 -6.4661 2.5410 2.5410 2.5557 2.5557 2.5781 2.5781 2.5886 2.5886 3.0749 3.0749 3.2681 3.2681 4.1164 4.1164 4.1233 4.1233 4.3167 4.3167 4.3239 4.3239 4.3783 4.3783 4.3944 4.3944 6.5481 6.5481 6.5675 6.5675 6.5704 6.5704 6.5921 6.5921 7.3865 7.3865 7.5441 7.5441 9.5561 9.5561 9.7490 9.7490 11.2020 11.2020 k = 0.0000 0.0000 0.2062 ( 5150 PWs) bands (ev): -24.0311 -24.0311 -24.0309 -24.0309 -7.8564 -7.8564 -7.8279 -7.8279 -7.5478 -7.5478 -7.5414 -7.5414 -7.4109 -7.4109 -7.4104 -7.4104 -6.5351 -6.5351 -6.4884 -6.4884 2.5448 2.5448 2.5522 2.5522 2.5807 2.5807 2.5860 2.5860 3.1205 3.1205 3.2174 3.2174 4.1184 4.1184 4.1218 4.1218 4.3185 4.3185 4.3221 4.3221 4.3831 4.3831 4.3911 4.3911 6.5529 6.5529 6.5626 6.5626 6.5757 6.5757 6.5867 6.5867 7.4294 7.4294 7.5084 7.5084 9.5995 9.5995 9.6962 9.6962 11.2449 11.2449 k = 0.0000 0.0000 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8422 -7.8422 -7.8422 -7.8422 -7.5448 -7.5448 -7.5448 -7.5448 -7.4106 -7.4106 -7.4106 -7.4106 -6.5115 -6.5115 -6.5115 -6.5115 2.5485 2.5485 2.5485 2.5485 2.5834 2.5834 2.5834 2.5834 3.1681 3.1681 3.1681 3.1681 4.1202 4.1202 4.1202 4.1202 4.3203 4.3203 4.3203 4.3203 4.3873 4.3873 4.3873 4.3873 6.5577 6.5577 6.5577 6.5577 6.5812 6.5812 6.5812 6.5812 7.4701 7.4701 7.4701 7.4701 9.6463 9.6463 9.6463 9.6463 11.2900 11.2900 k = 0.0000 0.0000 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8422 -7.8422 -7.8422 -7.8422 -7.5448 -7.5448 -7.5448 -7.5448 -7.4106 -7.4106 -7.4106 -7.4106 -6.5115 -6.5115 -6.5115 -6.5115 2.5485 2.5485 2.5485 2.5485 2.5834 2.5834 2.5834 2.5834 3.1681 3.1681 3.1681 3.1681 4.1202 4.1202 4.1202 4.1202 4.3203 4.3203 4.3203 4.3203 4.3873 4.3873 4.3873 4.3873 6.5577 6.5577 6.5577 6.5577 6.5812 6.5812 6.5812 6.5812 7.4701 7.4701 7.4701 7.4701 9.6463 9.6463 9.6463 9.6463 11.2900 11.2900 k = 0.0114 0.0066 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8421 -7.8421 -7.8421 -7.8421 -7.5449 -7.5449 -7.5449 -7.5449 -7.4108 -7.4108 -7.4108 -7.4108 -6.5111 -6.5111 -6.5111 -6.5111 2.5477 2.5477 2.5477 2.5477 2.5829 2.5829 2.5829 2.5829 3.1685 3.1685 3.1685 3.1685 4.1203 4.1203 4.1203 4.1203 4.3204 4.3204 4.3204 4.3204 4.3879 4.3879 4.3879 4.3879 6.5488 6.5488 6.5488 6.5488 6.5740 6.5740 6.5740 6.5740 7.4840 7.4840 7.4840 7.4840 9.6470 9.6470 9.6470 9.6470 11.2893 11.2893 k = 0.0227 0.0131 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8416 -7.8416 -7.8416 -7.8416 -7.5452 -7.5452 -7.5452 -7.5452 -7.4113 -7.4113 -7.4113 -7.4113 -6.5102 -6.5102 -6.5102 -6.5102 2.5450 2.5450 2.5450 2.5450 2.5817 2.5817 2.5817 2.5817 3.1697 3.1697 3.1697 3.1697 4.1207 4.1207 4.1207 4.1207 4.3208 4.3208 4.3208 4.3208 4.3896 4.3896 4.3896 4.3896 6.5153 6.5153 6.5153 6.5153 6.5618 6.5618 6.5618 6.5618 7.5232 7.5232 7.5232 7.5232 9.6491 9.6491 9.6491 9.6491 11.2834 11.2834 k = 0.0341 0.0197 0.2191 ( 5154 PWs) bands (ev): -24.0309 -24.0309 -24.0309 -24.0309 -7.8407 -7.8407 -7.8407 -7.8407 -7.5457 -7.5457 -7.5457 -7.5457 -7.4122 -7.4122 -7.4122 -7.4122 -6.5085 -6.5085 -6.5085 -6.5085 2.5394 2.5394 2.5394 2.5394 2.5809 2.5809 2.5809 2.5809 3.1716 3.1716 3.1716 3.1716 4.1213 4.1213 4.1213 4.1213 4.3215 4.3215 4.3215 4.3215 4.3925 4.3925 4.3925 4.3925 6.4593 6.4593 6.4593 6.4593 6.5479 6.5479 6.5479 6.5479 7.5823 7.5823 7.5823 7.5823 9.6526 9.6526 9.6526 9.6526 11.2670 11.2670 k = 0.0455 0.0262 0.2191 ( 5162 PWs) bands (ev): -24.0308 -24.0308 -24.0308 -24.0308 -7.8395 -7.8395 -7.8395 -7.8395 -7.5463 -7.5463 -7.5463 -7.5463 -7.4135 -7.4135 -7.4135 -7.4135 -6.5063 -6.5063 -6.5063 -6.5063 2.5300 2.5300 2.5300 2.5300 2.5813 2.5813 2.5813 2.5813 3.1742 3.1742 3.1742 3.1742 4.1222 4.1222 4.1222 4.1222 4.3223 4.3223 4.3223 4.3223 4.3967 4.3967 4.3967 4.3967 6.3890 6.3890 6.3890 6.3890 6.5302 6.5302 6.5302 6.5302 7.6550 7.6550 7.6550 7.6550 9.6573 9.6573 9.6573 9.6573 11.2405 11.2405 k = 0.0568 0.0328 0.2191 ( 5162 PWs) bands (ev): -24.0306 -24.0306 -24.0306 -24.0306 -7.8381 -7.8381 -7.8381 -7.8381 -7.5471 -7.5471 -7.5471 -7.5471 -7.4150 -7.4150 -7.4150 -7.4150 -6.5034 -6.5034 -6.5034 -6.5034 2.5167 2.5167 2.5167 2.5167 2.5833 2.5833 2.5833 2.5833 3.1773 3.1773 3.1773 3.1773 4.1233 4.1233 4.1233 4.1233 4.3232 4.3232 4.3232 4.3232 4.4022 4.4022 4.4022 4.4022 6.3098 6.3098 6.3098 6.3098 6.5083 6.5083 6.5083 6.5083 7.7366 7.7366 7.7366 7.7366 9.6629 9.6629 9.6629 9.6629 11.2065 11.2065 k = 0.0682 0.0394 0.2191 ( 5162 PWs) bands (ev): -24.0304 -24.0304 -24.0304 -24.0304 -7.8363 -7.8363 -7.8363 -7.8363 -7.5481 -7.5481 -7.5481 -7.5481 -7.4168 -7.4168 -7.4168 -7.4168 -6.4999 -6.4999 -6.4999 -6.4999 2.4997 2.4997 2.4997 2.4997 2.5868 2.5868 2.5868 2.5868 3.1809 3.1809 3.1809 3.1809 4.1247 4.1247 4.1247 4.1247 4.3242 4.3242 4.3242 4.3242 4.4091 4.4091 4.4091 4.4091 6.2251 6.2251 6.2251 6.2251 6.4822 6.4822 6.4822 6.4822 7.8234 7.8234 7.8234 7.8234 9.6692 9.6692 9.6692 9.6692 11.1669 11.1669 k = 0.0795 0.0459 0.2191 ( 5160 PWs) bands (ev): -24.0302 -24.0302 -24.0302 -24.0302 -7.8343 -7.8343 -7.8343 -7.8343 -7.5492 -7.5492 -7.5492 -7.5492 -7.4189 -7.4189 -7.4189 -7.4189 -6.4958 -6.4958 -6.4958 -6.4958 2.4794 2.4794 2.4794 2.4794 2.5917 2.5917 2.5917 2.5917 3.1848 3.1848 3.1848 3.1848 4.1261 4.1261 4.1261 4.1261 4.3252 4.3252 4.3252 4.3252 4.4176 4.4176 4.4176 4.4176 6.1374 6.1374 6.1374 6.1374 6.4522 6.4522 6.4522 6.4522 7.9127 7.9127 7.9127 7.9127 9.6757 9.6757 9.6757 9.6757 11.1241 11.1241 k = 0.0909 0.0525 0.2191 ( 5160 PWs) bands (ev): -24.0299 -24.0299 -24.0299 -24.0299 -7.8321 -7.8321 -7.8321 -7.8321 -7.5505 -7.5505 -7.5505 -7.5505 -7.4212 -7.4212 -7.4212 -7.4212 -6.4911 -6.4911 -6.4911 -6.4911 2.4561 2.4561 2.4561 2.4561 2.5975 2.5975 2.5975 2.5975 3.1889 3.1889 3.1889 3.1889 4.1278 4.1278 4.1278 4.1278 4.3262 4.3262 4.3262 4.3262 4.4276 4.4276 4.4276 4.4276 6.0482 6.0482 6.0482 6.0482 6.4183 6.4183 6.4183 6.4183 8.0027 8.0027 8.0027 8.0027 9.6817 9.6817 9.6817 9.6817 11.0800 11.0800 k = 0.1023 0.0590 0.2191 ( 5160 PWs) bands (ev): -24.0296 -24.0296 -24.0296 -24.0296 -7.8297 -7.8297 -7.8297 -7.8297 -7.5519 -7.5519 -7.5519 -7.5519 -7.4237 -7.4237 -7.4237 -7.4237 -6.4858 -6.4858 -6.4858 -6.4858 2.4300 2.4300 2.4300 2.4300 2.6044 2.6044 2.6044 2.6044 3.1931 3.1931 3.1931 3.1931 4.1295 4.1295 4.1295 4.1295 4.3271 4.3271 4.3271 4.3271 4.4393 4.4393 4.4393 4.4393 5.9586 5.9586 5.9586 5.9586 6.3811 6.3811 6.3811 6.3811 8.0918 8.0918 8.0918 8.0918 9.6865 9.6865 9.6865 9.6865 11.0370 11.0370 k = 0.1136 0.0656 0.2191 ( 5156 PWs) bands (ev): -24.0293 -24.0293 -24.0293 -24.0293 -7.8271 -7.8271 -7.8271 -7.8271 -7.5534 -7.5534 -7.5534 -7.5534 -7.4263 -7.4263 -7.4263 -7.4263 -6.4801 -6.4801 -6.4801 -6.4801 2.4014 2.4014 2.4014 2.4014 2.6123 2.6123 2.6123 2.6123 3.1973 3.1973 3.1973 3.1973 4.1314 4.1314 4.1314 4.1314 4.3279 4.3279 4.3279 4.3279 4.4526 4.4526 4.4526 4.4526 5.8694 5.8694 5.8694 5.8694 6.3408 6.3408 6.3408 6.3408 8.1789 8.1789 8.1789 8.1789 9.6892 9.6892 9.6892 9.6892 10.9975 10.9975 k = 0.1250 0.0722 0.2191 ( 5160 PWs) bands (ev): -24.0290 -24.0290 -24.0290 -24.0290 -7.8245 -7.8245 -7.8245 -7.8245 -7.5549 -7.5549 -7.5549 -7.5549 -7.4291 -7.4291 -7.4291 -7.4291 -6.4738 -6.4738 -6.4738 -6.4738 2.3704 2.3704 2.3704 2.3704 2.6210 2.6210 2.6210 2.6210 3.2014 3.2014 3.2014 3.2014 4.1332 4.1332 4.1332 4.1332 4.3286 4.3286 4.3286 4.3286 4.4674 4.4674 4.4674 4.4674 5.7812 5.7812 5.7812 5.7812 6.2977 6.2977 6.2977 6.2977 8.2630 8.2630 8.2630 8.2630 9.6886 9.6886 9.6886 9.6886 10.9635 10.9635 k = 0.1364 0.0787 0.2191 ( 5160 PWs) bands (ev): -24.0286 -24.0286 -24.0286 -24.0286 -7.8218 -7.8218 -7.8218 -7.8218 -7.5565 -7.5565 -7.5565 -7.5565 -7.4320 -7.4320 -7.4320 -7.4320 -6.4671 -6.4671 -6.4671 -6.4671 2.3373 2.3373 2.3373 2.3373 2.6305 2.6305 2.6305 2.6305 3.2053 3.2053 3.2053 3.2053 4.1352 4.1352 4.1352 4.1352 4.3293 4.3293 4.3293 4.3293 4.4840 4.4840 4.4840 4.4840 5.6945 5.6945 5.6945 5.6945 6.2521 6.2521 6.2521 6.2521 8.3432 8.3432 8.3432 8.3432 9.6836 9.6836 9.6836 9.6836 10.9374 10.9374 k = 0.1477 0.0853 0.2191 ( 5152 PWs) bands (ev): -24.0282 -24.0282 -24.0282 -24.0282 -7.8191 -7.8191 -7.8191 -7.8191 -7.5581 -7.5581 -7.5581 -7.5581 -7.4349 -7.4349 -7.4349 -7.4349 -6.4599 -6.4599 -6.4599 -6.4599 2.3022 2.3022 2.3022 2.3022 2.6409 2.6409 2.6409 2.6409 3.2090 3.2090 3.2090 3.2090 4.1371 4.1371 4.1371 4.1371 4.3299 4.3299 4.3299 4.3299 4.5021 4.5021 4.5021 4.5021 5.6096 5.6096 5.6096 5.6096 6.2044 6.2044 6.2044 6.2044 8.4189 8.4189 8.4189 8.4189 9.6729 9.6729 9.6729 9.6729 10.9208 10.9208 k = 0.1591 0.0919 0.2191 ( 5152 PWs) bands (ev): -24.0278 -24.0278 -24.0278 -24.0278 -7.8164 -7.8164 -7.8164 -7.8164 -7.5597 -7.5597 -7.5597 -7.5597 -7.4378 -7.4378 -7.4378 -7.4378 -6.4523 -6.4523 -6.4523 -6.4523 2.2654 2.2654 2.2654 2.2654 2.6520 2.6520 2.6520 2.6520 3.2124 3.2124 3.2124 3.2124 4.1390 4.1390 4.1390 4.1390 4.3304 4.3304 4.3304 4.3304 4.5218 4.5218 4.5218 4.5218 5.5268 5.5268 5.5268 5.5268 6.1549 6.1549 6.1549 6.1549 8.4896 8.4896 8.4896 8.4896 9.6559 9.6559 9.6559 9.6559 10.9150 10.9150 k = 0.1705 0.0984 0.2191 ( 5144 PWs) bands (ev): -24.0274 -24.0274 -24.0274 -24.0274 -7.8139 -7.8139 -7.8139 -7.8139 -7.5613 -7.5613 -7.5613 -7.5613 -7.4407 -7.4407 -7.4407 -7.4407 -6.4444 -6.4444 -6.4444 -6.4444 2.2269 2.2269 2.2269 2.2269 2.6639 2.6639 2.6639 2.6639 3.2155 3.2155 3.2155 3.2155 4.1409 4.1409 4.1409 4.1409 4.3309 4.3309 4.3309 4.3309 4.5430 4.5430 4.5430 4.5430 5.4463 5.4463 5.4463 5.4463 6.1039 6.1039 6.1039 6.1039 8.5549 8.5549 8.5549 8.5549 9.6320 9.6320 9.6320 9.6320 10.9206 10.9206 k = 0.1818 0.1050 0.2191 ( 5140 PWs) bands (ev): -24.0269 -24.0269 -24.0269 -24.0269 -7.8115 -7.8115 -7.8115 -7.8115 -7.5628 -7.5628 -7.5628 -7.5628 -7.4435 -7.4435 -7.4435 -7.4435 -6.4361 -6.4361 -6.4361 -6.4361 2.1871 2.1871 2.1871 2.1871 2.6765 2.6765 2.6765 2.6765 3.2182 3.2182 3.2182 3.2182 4.1428 4.1428 4.1428 4.1428 4.3313 4.3313 4.3313 4.3313 4.5655 4.5655 4.5655 4.5655 5.3683 5.3683 5.3683 5.3683 6.0517 6.0517 6.0517 6.0517 8.6146 8.6146 8.6146 8.6146 9.6012 9.6012 9.6012 9.6012 10.9374 10.9374 k = 0.1932 0.1115 0.2191 ( 5152 PWs) bands (ev): -24.0265 -24.0265 -24.0265 -24.0265 -7.8094 -7.8094 -7.8094 -7.8094 -7.5641 -7.5641 -7.5641 -7.5641 -7.4462 -7.4462 -7.4462 -7.4462 -6.4274 -6.4274 -6.4274 -6.4274 2.1460 2.1460 2.1460 2.1460 2.6898 2.6898 2.6898 2.6898 3.2205 3.2205 3.2205 3.2205 4.1445 4.1445 4.1445 4.1445 4.3316 4.3316 4.3316 4.3316 4.5894 4.5894 4.5894 4.5894 5.2930 5.2930 5.2930 5.2930 5.9984 5.9984 5.9984 5.9984 8.6685 8.6685 8.6685 8.6685 9.5642 9.5642 9.5642 9.5642 10.9647 10.9647 k = 0.2045 0.1181 0.2191 ( 5152 PWs) bands (ev): -24.0260 -24.0260 -24.0260 -24.0260 -7.8076 -7.8076 -7.8076 -7.8076 -7.5653 -7.5653 -7.5653 -7.5653 -7.4489 -7.4489 -7.4489 -7.4489 -6.4185 -6.4185 -6.4185 -6.4185 2.1038 2.1038 2.1038 2.1038 2.7036 2.7036 2.7036 2.7036 3.2225 3.2225 3.2225 3.2225 4.1462 4.1462 4.1462 4.1462 4.3319 4.3319 4.3319 4.3319 4.6144 4.6144 4.6144 4.6144 5.2206 5.2206 5.2206 5.2206 5.9445 5.9445 5.9445 5.9445 8.7168 8.7168 8.7168 8.7168 9.5218 9.5218 9.5218 9.5218 11.0012 11.0012 k = 0.2159 0.1247 0.2191 ( 5140 PWs) bands (ev): -24.0255 -24.0255 -24.0255 -24.0255 -7.8060 -7.8060 -7.8060 -7.8060 -7.5664 -7.5664 -7.5664 -7.5664 -7.4513 -7.4513 -7.4513 -7.4513 -6.4094 -6.4094 -6.4094 -6.4094 2.0609 2.0609 2.0609 2.0609 2.7182 2.7182 2.7182 2.7182 3.2241 3.2241 3.2241 3.2241 4.1478 4.1478 4.1478 4.1478 4.3322 4.3322 4.3322 4.3322 4.6403 4.6403 4.6403 4.6403 5.1513 5.1513 5.1513 5.1513 5.8903 5.8903 5.8903 5.8903 8.7596 8.7596 8.7596 8.7596 9.4750 9.4750 9.4750 9.4750 11.0453 11.0453 k = 0.2273 0.1312 0.2191 ( 5138 PWs) bands (ev): -24.0250 -24.0250 -24.0250 -24.0250 -7.8048 -7.8048 -7.8048 -7.8048 -7.5672 -7.5672 -7.5672 -7.5672 -7.4536 -7.4536 -7.4536 -7.4536 -6.4001 -6.4001 -6.4001 -6.4001 2.0173 2.0173 2.0173 2.0173 2.7332 2.7332 2.7332 2.7332 3.2253 3.2253 3.2253 3.2253 4.1493 4.1493 4.1493 4.1493 4.3324 4.3324 4.3324 4.3324 4.6668 4.6668 4.6668 4.6668 5.0854 5.0854 5.0854 5.0854 5.8358 5.8358 5.8358 5.8358 8.7969 8.7969 8.7969 8.7969 9.4248 9.4248 9.4248 9.4248 11.0954 11.0954 k = 0.2386 0.1378 0.2191 ( 5136 PWs) bands (ev): -24.0245 -24.0245 -24.0245 -24.0245 -7.8040 -7.8040 -7.8040 -7.8040 -7.5679 -7.5679 -7.5679 -7.5679 -7.4557 -7.4557 -7.4557 -7.4557 -6.3906 -6.3906 -6.3906 -6.3906 1.9733 1.9733 1.9733 1.9733 2.7487 2.7487 2.7487 2.7487 3.2262 3.2262 3.2262 3.2262 4.1507 4.1507 4.1507 4.1507 4.3325 4.3325 4.3325 4.3325 4.6933 4.6933 4.6933 4.6933 5.0233 5.0233 5.0233 5.0233 5.7813 5.7813 5.7813 5.7813 8.8290 8.8290 8.8290 8.8290 9.3724 9.3724 9.3724 9.3724 11.1499 11.1499 k = 0.2500 0.1443 0.2191 ( 5132 PWs) bands (ev): -24.0240 -24.0240 -24.0240 -24.0240 -7.8036 -7.8036 -7.8036 -7.8036 -7.5683 -7.5683 -7.5683 -7.5683 -7.4576 -7.4576 -7.4576 -7.4576 -6.3811 -6.3811 -6.3811 -6.3811 1.9291 1.9291 1.9291 1.9291 2.7647 2.7647 2.7647 2.7647 3.2268 3.2268 3.2268 3.2268 4.1520 4.1520 4.1520 4.1520 4.3326 4.3326 4.3326 4.3326 4.7187 4.7187 4.7187 4.7187 4.9663 4.9663 4.9663 4.9663 5.7271 5.7271 5.7271 5.7271 8.8560 8.8560 8.8560 8.8560 9.3187 9.3187 9.3187 9.3187 11.2075 11.2075 k = 0.2614 0.1509 0.2191 ( 5136 PWs) bands (ev): -24.0235 -24.0235 -24.0235 -24.0235 -7.8036 -7.8036 -7.8036 -7.8036 -7.5685 -7.5685 -7.5685 -7.5685 -7.4593 -7.4593 -7.4593 -7.4593 -6.3714 -6.3714 -6.3714 -6.3714 1.8849 1.8849 1.8849 1.8849 2.7811 2.7811 2.7811 2.7811 3.2270 3.2270 3.2270 3.2270 4.1532 4.1532 4.1532 4.1532 4.3325 4.3325 4.3325 4.3325 4.7400 4.7400 4.7400 4.7400 4.9170 4.9170 4.9170 4.9170 5.6734 5.6734 5.6734 5.6734 8.8781 8.8781 8.8781 8.8781 9.2649 9.2649 9.2649 9.2649 11.2669 11.2669 k = 0.2727 0.1575 0.2191 ( 5134 PWs) bands (ev): -24.0230 -24.0230 -24.0230 -24.0230 -7.8039 -7.8039 -7.8039 -7.8039 -7.5685 -7.5685 -7.5685 -7.5685 -7.4607 -7.4607 -7.4607 -7.4607 -6.3618 -6.3618 -6.3618 -6.3618 1.8410 1.8410 1.8410 1.8410 2.7978 2.7978 2.7978 2.7978 3.2270 3.2270 3.2270 3.2270 4.1543 4.1543 4.1543 4.1543 4.3322 4.3322 4.3322 4.3322 4.7496 4.7496 4.7496 4.7496 4.8831 4.8831 4.8831 4.8831 5.6204 5.6204 5.6204 5.6204 8.8950 8.8950 8.8950 8.8950 9.2118 9.2118 9.2118 9.2118 11.3274 11.3274 k = 0.2841 0.1640 0.2191 ( 5130 PWs) bands (ev): -24.0225 -24.0225 -24.0225 -24.0225 -7.8046 -7.8046 -7.8046 -7.8046 -7.5684 -7.5684 -7.5684 -7.5684 -7.4619 -7.4619 -7.4619 -7.4619 -6.3521 -6.3521 -6.3521 -6.3521 1.7974 1.7974 1.7974 1.7974 2.8148 2.8148 2.8148 2.8148 3.2267 3.2267 3.2267 3.2267 4.1553 4.1553 4.1553 4.1553 4.3318 4.3318 4.3318 4.3318 4.7362 4.7362 4.7362 4.7362 4.8758 4.8758 4.8758 4.8758 5.5682 5.5682 5.5682 5.5682 8.9062 8.9062 8.9062 8.9062 9.1610 9.1610 9.1610 9.1610 11.3883 11.3883 k = 0.2955 0.1706 0.2191 ( 5132 PWs) bands (ev): -24.0220 -24.0220 -24.0220 -24.0220 -7.8057 -7.8057 -7.8057 -7.8057 -7.5681 -7.5681 -7.5681 -7.5681 -7.4628 -7.4628 -7.4628 -7.4628 -6.3425 -6.3425 -6.3425 -6.3425 1.7545 1.7545 1.7545 1.7545 2.8320 2.8320 2.8320 2.8320 3.2263 3.2263 3.2263 3.2263 4.1562 4.1562 4.1562 4.1562 4.3311 4.3311 4.3311 4.3311 4.7038 4.7038 4.7038 4.7038 4.8907 4.8907 4.8907 4.8907 5.5172 5.5172 5.5172 5.5172 8.9107 8.9107 8.9107 8.9107 9.1144 9.1144 9.1144 9.1144 11.4490 11.4490 k = 0.3068 0.1771 0.2191 ( 5136 PWs) bands (ev): -24.0215 -24.0215 -24.0215 -24.0215 -7.8071 -7.8071 -7.8071 -7.8071 -7.5677 -7.5677 -7.5677 -7.5677 -7.4634 -7.4634 -7.4634 -7.4634 -6.3331 -6.3331 -6.3331 -6.3331 1.7125 1.7125 1.7125 1.7125 2.8492 2.8492 2.8492 2.8492 3.2256 3.2256 3.2256 3.2256 4.1570 4.1570 4.1570 4.1570 4.3302 4.3302 4.3302 4.3302 4.6650 4.6650 4.6650 4.6650 4.9153 4.9153 4.9153 4.9153 5.4674 5.4674 5.4674 5.4674 8.9060 8.9060 8.9060 8.9060 9.0751 9.0751 9.0751 9.0751 11.5095 11.5095 k = 0.3182 0.1837 0.2191 ( 5140 PWs) bands (ev): -24.0211 -24.0211 -24.0211 -24.0211 -7.8087 -7.8087 -7.8087 -7.8087 -7.5673 -7.5673 -7.5673 -7.5673 -7.4639 -7.4639 -7.4639 -7.4639 -6.3238 -6.3238 -6.3238 -6.3238 1.6716 1.6716 1.6716 1.6716 2.8665 2.8665 2.8665 2.8665 3.2248 3.2248 3.2248 3.2248 4.1577 4.1577 4.1577 4.1577 4.3289 4.3289 4.3289 4.3289 4.6256 4.6256 4.6256 4.6256 4.9435 4.9435 4.9435 4.9435 5.4191 5.4191 5.4191 5.4191 8.8895 8.8895 8.8895 8.8895 9.0462 9.0462 9.0462 9.0462 11.5695 11.5695 k = 0.3295 0.1903 0.2191 ( 5140 PWs) bands (ev): -24.0206 -24.0206 -24.0206 -24.0206 -7.8105 -7.8105 -7.8105 -7.8105 -7.5667 -7.5667 -7.5667 -7.5667 -7.4640 -7.4640 -7.4640 -7.4640 -6.3148 -6.3148 -6.3148 -6.3148 1.6319 1.6319 1.6319 1.6319 2.8836 2.8836 2.8836 2.8836 3.2239 3.2239 3.2239 3.2239 4.1584 4.1584 4.1584 4.1584 4.3270 4.3270 4.3270 4.3270 4.5879 4.5879 4.5879 4.5879 4.9731 4.9731 4.9731 4.9731 5.3724 5.3724 5.3724 5.3724 8.8613 8.8613 8.8613 8.8613 9.0284 9.0284 9.0284 9.0284 11.6289 11.6289 k = 0.3409 0.1968 0.2191 ( 5146 PWs) bands (ev): -24.0202 -24.0202 -24.0202 -24.0202 -7.8125 -7.8125 -7.8125 -7.8125 -7.5662 -7.5662 -7.5662 -7.5662 -7.4640 -7.4640 -7.4640 -7.4640 -6.3060 -6.3060 -6.3060 -6.3060 1.5938 1.5938 1.5938 1.5938 2.9006 2.9006 2.9006 2.9006 3.2229 3.2229 3.2229 3.2229 4.1589 4.1589 4.1589 4.1589 4.3245 4.3245 4.3245 4.3245 4.5527 4.5527 4.5527 4.5527 5.0029 5.0029 5.0029 5.0029 5.3277 5.3277 5.3277 5.3277 8.8252 8.8252 8.8252 8.8252 9.0184 9.0184 9.0184 9.0184 11.6878 11.6878 k = 0.3523 0.2034 0.2191 ( 5142 PWs) bands (ev): -24.0198 -24.0198 -24.0198 -24.0198 -7.8146 -7.8146 -7.8146 -7.8146 -7.5657 -7.5657 -7.5657 -7.5657 -7.4637 -7.4637 -7.4637 -7.4637 -6.2976 -6.2976 -6.2976 -6.2976 1.5573 1.5573 1.5573 1.5573 2.9172 2.9172 2.9172 2.9172 3.2219 3.2219 3.2219 3.2219 4.1594 4.1594 4.1594 4.1594 4.3212 4.3212 4.3212 4.3212 4.5207 4.5207 4.5207 4.5207 5.0324 5.0324 5.0324 5.0324 5.2851 5.2851 5.2851 5.2851 8.7855 8.7855 8.7855 8.7855 9.0125 9.0125 9.0125 9.0125 11.7460 11.7460 k = 0.3636 0.2099 0.2191 ( 5138 PWs) bands (ev): -24.0194 -24.0194 -24.0194 -24.0194 -7.8168 -7.8168 -7.8168 -7.8168 -7.5652 -7.5652 -7.5652 -7.5652 -7.4632 -7.4632 -7.4632 -7.4632 -6.2895 -6.2895 -6.2895 -6.2895 1.5227 1.5227 1.5227 1.5227 2.9334 2.9334 2.9334 2.9334 3.2209 3.2209 3.2209 3.2209 4.1598 4.1598 4.1598 4.1598 4.3167 4.3167 4.3167 4.3167 4.4923 4.4923 4.4923 4.4923 5.0609 5.0609 5.0609 5.0609 5.2449 5.2449 5.2449 5.2449 8.7450 8.7450 8.7450 8.7450 9.0083 9.0083 9.0083 9.0083 11.8034 11.8034 k = 0.3750 0.2165 0.2191 ( 5142 PWs) bands (ev): -24.0190 -24.0190 -24.0190 -24.0190 -7.8190 -7.8190 -7.8190 -7.8190 -7.5648 -7.5648 -7.5648 -7.5648 -7.4626 -7.4626 -7.4626 -7.4626 -6.2819 -6.2819 -6.2819 -6.2819 1.4902 1.4902 1.4902 1.4902 2.9491 2.9491 2.9491 2.9491 3.2199 3.2199 3.2199 3.2199 4.1602 4.1602 4.1602 4.1602 4.3109 4.3109 4.3109 4.3109 4.4677 4.4677 4.4677 4.4677 5.0877 5.0877 5.0877 5.0877 5.2078 5.2078 5.2078 5.2078 8.7054 8.7054 8.7054 8.7054 9.0047 9.0047 9.0047 9.0047 11.8600 11.8600 k = 0.3864 0.2231 0.2191 ( 5140 PWs) bands (ev): -24.0187 -24.0187 -24.0187 -24.0187 -7.8212 -7.8212 -7.8212 -7.8212 -7.5644 -7.5644 -7.5644 -7.5644 -7.4619 -7.4619 -7.4619 -7.4619 -6.2747 -6.2747 -6.2747 -6.2747 1.4599 1.4599 1.4599 1.4599 2.9640 2.9640 2.9640 2.9640 3.2189 3.2189 3.2189 3.2189 4.1605 4.1605 4.1605 4.1605 4.3037 4.3037 4.3037 4.3037 4.4471 4.4471 4.4471 4.4471 5.1105 5.1105 5.1105 5.1105 5.1760 5.1760 5.1760 5.1760 8.6675 8.6675 8.6675 8.6675 9.0013 9.0013 9.0013 9.0013 11.9153 11.9153 k = 0.3977 0.2296 0.2191 ( 5144 PWs) bands (ev): -24.0184 -24.0184 -24.0184 -24.0184 -7.8233 -7.8233 -7.8233 -7.8233 -7.5641 -7.5641 -7.5641 -7.5641 -7.4611 -7.4611 -7.4611 -7.4611 -6.2681 -6.2681 -6.2681 -6.2681 1.4320 1.4320 1.4320 1.4320 2.9781 2.9781 2.9781 2.9781 3.2180 3.2180 3.2180 3.2180 4.1608 4.1608 4.1608 4.1608 4.2949 4.2949 4.2949 4.2949 4.4306 4.4306 4.4306 4.4306 5.1174 5.1174 5.1174 5.1174 5.1612 5.1612 5.1612 5.1612 8.6319 8.6319 8.6319 8.6319 8.9979 8.9979 8.9979 8.9979 11.9692 11.9692 k = 0.4091 0.2362 0.2191 ( 5132 PWs) bands (ev): -24.0181 -24.0181 -24.0181 -24.0181 -7.8252 -7.8252 -7.8252 -7.8252 -7.5638 -7.5638 -7.5638 -7.5638 -7.4603 -7.4603 -7.4603 -7.4603 -6.2620 -6.2620 -6.2620 -6.2620 1.4066 1.4066 1.4066 1.4066 2.9912 2.9912 2.9912 2.9912 3.2172 3.2172 3.2172 3.2172 4.1610 4.1610 4.1610 4.1610 4.2851 4.2851 4.2851 4.2851 4.4179 4.4179 4.4179 4.4179 5.0979 5.0979 5.0979 5.0979 5.1740 5.1740 5.1740 5.1740 8.5992 8.5992 8.5992 8.5992 8.9945 8.9945 8.9945 8.9945 12.0211 12.0211 k = 0.4205 0.2427 0.2191 ( 5132 PWs) bands (ev): -24.0178 -24.0178 -24.0178 -24.0178 -7.8270 -7.8270 -7.8270 -7.8270 -7.5636 -7.5636 -7.5636 -7.5636 -7.4595 -7.4595 -7.4595 -7.4595 -6.2565 -6.2565 -6.2565 -6.2565 1.3839 1.3839 1.3839 1.3839 3.0031 3.0031 3.0031 3.0031 3.2164 3.2164 3.2164 3.2164 4.1612 4.1612 4.1612 4.1612 4.2747 4.2747 4.2747 4.2747 4.4084 4.4084 4.4084 4.4084 5.0733 5.0733 5.0733 5.0733 5.1928 5.1928 5.1928 5.1928 8.5695 8.5695 8.5695 8.5695 8.9912 8.9912 8.9912 8.9912 12.0704 12.0704 k = 0.4318 0.2493 0.2191 ( 5128 PWs) bands (ev): -24.0176 -24.0176 -24.0176 -24.0176 -7.8287 -7.8287 -7.8287 -7.8287 -7.5635 -7.5635 -7.5635 -7.5635 -7.4587 -7.4587 -7.4587 -7.4587 -6.2517 -6.2517 -6.2517 -6.2517 1.3639 1.3639 1.3639 1.3639 3.0138 3.0138 3.0138 3.0138 3.2158 3.2158 3.2158 3.2158 4.1614 4.1614 4.1614 4.1614 4.2643 4.2643 4.2643 4.2643 4.4014 4.4014 4.4014 4.4014 5.0504 5.0504 5.0504 5.0504 5.2109 5.2109 5.2109 5.2109 8.5433 8.5433 8.5433 8.5433 8.9881 8.9881 8.9881 8.9881 12.1165 12.1165 k = 0.4432 0.2559 0.2191 ( 5124 PWs) bands (ev): -24.0174 -24.0174 -24.0174 -24.0174 -7.8301 -7.8301 -7.8301 -7.8301 -7.5633 -7.5633 -7.5633 -7.5633 -7.4580 -7.4580 -7.4580 -7.4580 -6.2476 -6.2476 -6.2476 -6.2476 1.3469 1.3469 1.3469 1.3469 3.0231 3.0231 3.0231 3.0231 3.2152 3.2152 3.2152 3.2152 4.1616 4.1616 4.1616 4.1616 4.2547 4.2547 4.2547 4.2547 4.3964 4.3964 4.3964 4.3964 5.0303 5.0303 5.0303 5.0303 5.2269 5.2269 5.2269 5.2269 8.5207 8.5207 8.5207 8.5207 8.9852 8.9852 8.9852 8.9852 12.1584 12.1584 k = 0.4545 0.2624 0.2191 ( 5118 PWs) bands (ev): -24.0172 -24.0172 -24.0172 -24.0172 -7.8313 -7.8313 -7.8313 -7.8313 -7.5632 -7.5632 -7.5632 -7.5632 -7.4574 -7.4574 -7.4574 -7.4574 -6.2442 -6.2442 -6.2442 -6.2442 1.3328 1.3328 1.3328 1.3328 3.0309 3.0309 3.0309 3.0309 3.2148 3.2148 3.2148 3.2148 4.1618 4.1618 4.1618 4.1618 4.2462 4.2462 4.2462 4.2462 4.3928 4.3928 4.3928 4.3928 5.0137 5.0137 5.0137 5.0137 5.2404 5.2404 5.2404 5.2404 8.5019 8.5019 8.5019 8.5019 8.9827 8.9827 8.9827 8.9827 12.1953 12.1953 k = 0.4659 0.2690 0.2191 ( 5120 PWs) bands (ev): -24.0171 -24.0171 -24.0171 -24.0171 -7.8322 -7.8322 -7.8322 -7.8322 -7.5632 -7.5632 -7.5632 -7.5632 -7.4568 -7.4568 -7.4568 -7.4568 -6.2415 -6.2415 -6.2415 -6.2415 1.3218 1.3218 1.3218 1.3218 3.0370 3.0370 3.0370 3.0370 3.2144 3.2144 3.2144 3.2144 4.1619 4.1619 4.1619 4.1619 4.2393 4.2393 4.2393 4.2393 4.3903 4.3903 4.3903 4.3903 5.0004 5.0004 5.0004 5.0004 5.2511 5.2511 5.2511 5.2511 8.4872 8.4872 8.4872 8.4872 8.9807 8.9807 8.9807 8.9807 12.2258 12.2258 k = 0.4773 0.2756 0.2191 ( 5120 PWs) bands (ev): -24.0170 -24.0170 -24.0170 -24.0170 -7.8329 -7.8329 -7.8329 -7.8329 -7.5631 -7.5631 -7.5631 -7.5631 -7.4565 -7.4565 -7.4565 -7.4565 -6.2395 -6.2395 -6.2395 -6.2395 1.3138 1.3138 1.3138 1.3138 3.0415 3.0415 3.0415 3.0415 3.2142 3.2142 3.2142 3.2142 4.1620 4.1620 4.1620 4.1620 4.2342 4.2342 4.2342 4.2342 4.3887 4.3887 4.3887 4.3887 4.9909 4.9909 4.9909 4.9909 5.2589 5.2589 5.2589 5.2589 8.4765 8.4765 8.4765 8.4765 8.9792 8.9792 8.9792 8.9792 12.2488 12.2488 k = 0.4886 0.2821 0.2191 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8334 -7.8334 -7.8334 -7.8334 -7.5631 -7.5631 -7.5631 -7.5631 -7.4562 -7.4562 -7.4562 -7.4562 -6.2383 -6.2383 -6.2383 -6.2383 1.3091 1.3091 1.3091 1.3091 3.0442 3.0442 3.0442 3.0442 3.2140 3.2140 3.2140 3.2140 4.1621 4.1621 4.1621 4.1621 4.2310 4.2310 4.2310 4.2310 4.3878 4.3878 4.3878 4.3878 4.9852 4.9852 4.9852 4.9852 5.2636 5.2636 5.2636 5.2636 8.4701 8.4701 8.4701 8.4701 8.9783 8.9783 8.9783 8.9783 12.2632 12.2632 k = 0.5000 0.2887 0.2191 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8335 -7.8335 -7.8335 -7.8335 -7.5631 -7.5631 -7.5631 -7.5631 -7.4561 -7.4561 -7.4561 -7.4561 -6.2380 -6.2380 -6.2380 -6.2380 1.3075 1.3075 1.3075 1.3075 3.0451 3.0451 3.0451 3.0451 3.2140 3.2140 3.2140 3.2140 4.1621 4.1621 4.1621 4.1621 4.2300 4.2300 4.2300 4.2300 4.3875 4.3875 4.3875 4.3875 4.9833 4.9833 4.9833 4.9833 5.2652 5.2652 5.2652 5.2652 8.4679 8.4679 8.4679 8.4679 8.9780 8.9780 8.9780 8.9780 12.2681 12.2681 k = 0.5000 0.2887 0.2191 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8335 -7.8335 -7.8335 -7.8335 -7.5631 -7.5631 -7.5631 -7.5631 -7.4561 -7.4561 -7.4561 -7.4561 -6.2380 -6.2380 -6.2380 -6.2380 1.3075 1.3075 1.3075 1.3075 3.0451 3.0451 3.0451 3.0451 3.2140 3.2140 3.2140 3.2140 4.1621 4.1621 4.1621 4.1621 4.2300 4.2300 4.2300 4.2300 4.3875 4.3875 4.3875 4.3875 4.9833 4.9833 4.9833 4.9833 5.2652 5.2652 5.2652 5.2652 8.4679 8.4679 8.4679 8.4679 8.9780 8.9780 8.9780 8.9780 12.2681 12.2681 k = 0.4936 0.2998 0.2191 ( 5128 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8344 -7.8344 -7.8324 -7.8324 -7.5647 -7.5647 -7.5616 -7.5616 -7.4564 -7.4564 -7.4561 -7.4561 -6.2381 -6.2381 -6.2375 -6.2375 1.3060 1.3060 1.3104 1.3104 3.0416 3.0416 3.0460 3.0460 3.2130 3.2130 3.2153 3.2153 4.1576 4.1576 4.1663 4.1663 4.2251 4.2251 4.2340 4.2340 4.3873 4.3873 4.3873 4.3873 4.9750 4.9750 4.9857 4.9857 5.2633 5.2633 5.2682 5.2682 8.4682 8.4682 8.4692 8.4692 8.9836 8.9836 8.9861 8.9861 12.2660 12.2668 k = 0.4872 0.3109 0.2191 ( 5112 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8352 -7.8352 -7.8310 -7.8310 -7.5663 -7.5663 -7.5602 -7.5602 -7.4568 -7.4568 -7.4563 -7.4563 -6.2379 -6.2379 -6.2368 -6.2368 1.3061 1.3061 1.3149 1.3149 3.0355 3.0355 3.0445 3.0445 3.2123 3.2123 3.2169 3.2169 4.1528 4.1528 4.1703 4.1703 4.2193 4.2193 4.2372 4.2372 4.3868 4.3868 4.3869 4.3869 4.9612 4.9612 4.9826 4.9826 5.2626 5.2626 5.2722 5.2722 8.4699 8.4699 8.4719 8.4719 9.0028 9.0028 9.0079 9.0079 12.2609 12.2609 k = 0.4808 0.3220 0.2191 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8358 -7.8358 -7.8295 -7.8295 -7.5681 -7.5681 -7.5589 -7.5589 -7.4575 -7.4575 -7.4566 -7.4566 -6.2375 -6.2375 -6.2358 -6.2358 1.3075 1.3075 1.3208 1.3208 3.0269 3.0269 3.0406 3.0406 3.2117 3.2117 3.2186 3.2186 4.1478 4.1478 4.1739 4.1739 4.2125 4.2125 4.2396 4.2396 4.3859 4.3859 4.3862 4.3862 4.9419 4.9419 4.9743 4.9743 5.2630 5.2630 5.2773 5.2773 8.4729 8.4729 8.4759 8.4759 9.0354 9.0354 9.0431 9.0431 12.2524 12.2525 k = 0.4744 0.3331 0.2191 ( 5112 PWs) bands (ev): -24.0168 -24.0168 -24.0168 -24.0168 -7.8362 -7.8362 -7.8278 -7.8278 -7.5700 -7.5700 -7.5576 -7.5576 -7.4584 -7.4584 -7.4571 -7.4571 -6.2368 -6.2368 -6.2346 -6.2346 1.3104 1.3104 1.3283 1.3283 3.0158 3.0158 3.0343 3.0343 3.2114 3.2114 3.2206 3.2206 4.1425 4.1425 4.1771 4.1771 4.2047 4.2047 4.2415 4.2415 4.3845 4.3845 4.3853 4.3853 4.9179 4.9179 4.9614 4.9614 5.2645 5.2645 5.2833 5.2833 8.4771 8.4771 8.4808 8.4808 9.0807 9.0807 9.0914 9.0914 12.2410 12.2413 k = 0.4679 0.3442 0.2191 ( 5112 PWs) bands (ev): -24.0168 -24.0168 -24.0168 -24.0168 -7.8364 -7.8364 -7.8260 -7.8260 -7.5720 -7.5720 -7.5564 -7.5564 -7.4595 -7.4595 -7.4577 -7.4577 -6.2358 -6.2358 -6.2331 -6.2331 1.3147 1.3147 1.3372 1.3372 3.0021 3.0021 3.0259 3.0259 3.2111 3.2111 3.2227 3.2227 4.1370 4.1370 4.1800 4.1800 4.1960 4.1960 4.2427 4.2427 4.3825 4.3825 4.3843 4.3843 4.8898 4.8898 4.9446 4.9446 5.2671 5.2671 5.2902 5.2902 8.4821 8.4821 8.4866 8.4866 9.1382 9.1382 9.1520 9.1520 12.2265 12.2267 k = 0.4615 0.3553 0.2191 ( 5112 PWs) bands (ev): -24.0167 -24.0167 -24.0167 -24.0167 -7.8365 -7.8365 -7.8240 -7.8240 -7.5742 -7.5742 -7.5553 -7.5553 -7.4607 -7.4607 -7.4585 -7.4585 -6.2346 -6.2346 -6.2314 -6.2314 1.3202 1.3202 1.3475 1.3475 2.9860 2.9860 3.0153 3.0153 3.2108 3.2108 3.2248 3.2248 4.1312 4.1312 4.1825 4.1825 4.1863 4.1863 4.2433 4.2433 4.3800 4.3800 4.3832 4.3832 4.8585 4.8585 4.9247 4.9247 5.2707 5.2707 5.2979 5.2979 8.4878 8.4878 8.4930 8.4930 9.2070 9.2070 9.2242 9.2242 12.2090 12.2091 k = 0.4551 0.3664 0.2191 ( 5104 PWs) bands (ev): -24.0166 -24.0166 -24.0166 -24.0166 -7.8365 -7.8365 -7.8218 -7.8218 -7.5764 -7.5764 -7.5543 -7.5543 -7.4621 -7.4621 -7.4593 -7.4593 -6.2331 -6.2331 -6.2294 -6.2294 1.3270 1.3270 1.3591 1.3591 2.9676 2.9676 3.0027 3.0027 3.2105 3.2105 3.2269 3.2269 4.1251 4.1251 4.1759 4.1759 4.1846 4.1846 4.2436 4.2436 4.3770 4.3770 4.3820 4.3820 4.8248 4.8248 4.9026 4.9026 5.2752 5.2752 5.3064 5.3064 8.4940 8.4940 8.4999 8.4999 9.2860 9.2860 9.3068 9.3068 12.1889 12.1901 k = 0.4487 0.3775 0.2191 ( 5108 PWs) bands (ev): -24.0166 -24.0166 -24.0166 -24.0166 -7.8363 -7.8363 -7.8195 -7.8195 -7.5788 -7.5788 -7.5533 -7.5533 -7.4636 -7.4636 -7.4602 -7.4602 -6.2315 -6.2315 -6.2272 -6.2272 1.3348 1.3348 1.3721 1.3721 2.9468 2.9468 2.9882 2.9882 3.2101 3.2101 3.2289 3.2289 4.1184 4.1184 4.1650 4.1650 4.1862 4.1862 4.2434 4.2434 4.3733 4.3733 4.3808 4.3808 4.7897 4.7897 4.8790 4.8790 5.2806 5.2806 5.3155 5.3155 8.5005 8.5005 8.5070 8.5070 9.3740 9.3740 9.3988 9.3988 12.1661 12.1663 k = 0.4423 0.3886 0.2191 ( 5112 PWs) bands (ev): -24.0165 -24.0165 -24.0165 -24.0165 -7.8360 -7.8360 -7.8171 -7.8171 -7.5814 -7.5814 -7.5525 -7.5525 -7.4652 -7.4652 -7.4611 -7.4611 -6.2296 -6.2296 -6.2249 -6.2249 1.3437 1.3437 1.3862 1.3862 2.9237 2.9237 2.9719 2.9719 3.2095 3.2095 3.2308 3.2308 4.1112 4.1112 4.1540 4.1540 4.1873 4.1873 4.2429 4.2429 4.3691 4.3691 4.3796 4.3796 4.7541 4.7541 4.8547 4.8547 5.2868 5.2868 5.3251 5.3251 8.5072 8.5072 8.5142 8.5142 9.4698 9.4698 9.4989 9.4989 12.1410 12.1414 k = 0.4359 0.3997 0.2191 ( 5122 PWs) bands (ev): -24.0164 -24.0164 -24.0164 -24.0164 -7.8356 -7.8356 -7.8146 -7.8146 -7.5841 -7.5841 -7.5518 -7.5518 -7.4668 -7.4668 -7.4621 -7.4621 -6.2276 -6.2276 -6.2224 -6.2224 1.3535 1.3535 1.4015 1.4015 2.8986 2.8986 2.9540 2.9540 3.2088 3.2088 3.2326 3.2326 4.1030 4.1030 4.1432 4.1432 4.1879 4.1879 4.2420 4.2420 4.3642 4.3642 4.3785 4.3785 4.7189 4.7189 4.8304 4.8304 5.2936 5.2936 5.3353 5.3353 8.5139 8.5139 8.5214 8.5214 9.5720 9.5720 9.6058 9.6058 12.1125 12.1128 k = 0.4295 0.4108 0.2191 ( 5118 PWs) bands (ev): -24.0163 -24.0163 -24.0163 -24.0163 -7.8351 -7.8351 -7.8119 -7.8119 -7.5869 -7.5869 -7.5512 -7.5512 -7.4685 -7.4685 -7.4630 -7.4630 -6.2254 -6.2254 -6.2198 -6.2198 1.3640 1.3640 1.4177 1.4177 2.8716 2.8716 2.9346 2.9346 3.2079 3.2079 3.2342 3.2342 4.0936 4.0936 4.1334 4.1334 4.1880 4.1880 4.2409 4.2409 4.3588 4.3588 4.3774 4.3774 4.6848 4.6848 4.8066 4.8066 5.3011 5.3011 5.3458 5.3458 8.5205 8.5205 8.5285 8.5285 9.6793 9.6793 9.7182 9.7182 12.0839 12.0876 k = 0.4231 0.4219 0.2191 ( 5130 PWs) bands (ev): -24.0162 -24.0162 -24.0162 -24.0162 -7.8346 -7.8346 -7.8093 -7.8093 -7.5899 -7.5899 -7.5508 -7.5508 -7.4701 -7.4701 -7.4638 -7.4638 -6.2231 -6.2231 -6.2172 -6.2172 1.3752 1.3752 1.4348 1.4348 2.8430 2.8430 2.9140 2.9140 3.2068 3.2068 3.2356 3.2356 4.0828 4.0828 4.1247 4.1247 4.1875 4.1875 4.2395 4.2395 4.3528 4.3528 4.3763 4.3763 4.6525 4.6525 4.7837 4.7837 5.3091 5.3091 5.3565 5.3565 8.5269 8.5269 8.5354 8.5354 9.7901 9.7901 9.8346 9.8346 12.0549 12.0553 k = 0.4167 0.4330 0.2191 ( 5124 PWs) bands (ev): -24.0161 -24.0161 -24.0161 -24.0161 -7.8340 -7.8340 -7.8066 -7.8066 -7.5929 -7.5929 -7.5505 -7.5505 -7.4716 -7.4716 -7.4646 -7.4646 -6.2207 -6.2207 -6.2144 -6.2144 1.3867 1.3867 1.4526 1.4526 2.8129 2.8129 2.8925 2.8925 3.2056 3.2056 3.2368 3.2368 4.0711 4.0711 4.1174 4.1174 4.1865 4.1865 4.2379 4.2379 4.3465 4.3465 4.3753 4.3753 4.6225 4.6225 4.7622 4.7622 5.3175 5.3175 5.3674 5.3674 8.5329 8.5329 8.5418 8.5418 9.9029 9.9029 9.9535 9.9535 12.0268 12.0271 k = 0.4103 0.4441 0.2191 ( 5118 PWs) bands (ev): -24.0160 -24.0160 -24.0160 -24.0160 -7.8334 -7.8334 -7.8039 -7.8039 -7.5960 -7.5960 -7.5503 -7.5503 -7.4731 -7.4731 -7.4652 -7.4652 -6.2182 -6.2182 -6.2117 -6.2117 1.3985 1.3985 1.4708 1.4708 2.7819 2.7819 2.8702 2.8702 3.2044 3.2044 3.2379 3.2379 4.0587 4.0587 4.1112 4.1112 4.1849 4.1849 4.2359 4.2359 4.3400 4.3400 4.3744 4.3744 4.5952 4.5952 4.7421 4.7421 5.3261 5.3261 5.3783 5.3783 8.5384 8.5384 8.5478 8.5478 10.0162 10.0162 10.0733 10.0733 12.0003 12.0004 k = 0.4038 0.4552 0.2191 ( 5118 PWs) bands (ev): -24.0159 -24.0159 -24.0159 -24.0159 -7.8328 -7.8328 -7.8013 -7.8013 -7.5991 -7.5991 -7.5503 -7.5503 -7.4744 -7.4744 -7.4658 -7.4658 -6.2158 -6.2158 -6.2089 -6.2089 1.4104 1.4104 1.4892 1.4892 2.7503 2.7503 2.8475 2.8475 3.2030 3.2030 3.2388 3.2388 4.0461 4.0461 4.1059 4.1059 4.1828 4.1828 4.2337 4.2337 4.3335 4.3335 4.3736 4.3736 4.5707 4.5707 4.7235 4.7235 5.3349 5.3349 5.3891 5.3891 8.5434 8.5434 8.5531 8.5531 10.1281 10.1281 10.1923 10.1923 11.9759 11.9760 k = 0.3974 0.4663 0.2191 ( 5118 PWs) bands (ev): -24.0158 -24.0158 -24.0158 -24.0158 -7.8322 -7.8322 -7.7987 -7.7987 -7.6022 -7.6022 -7.5504 -7.5504 -7.4755 -7.4755 -7.4663 -7.4663 -6.2134 -6.2134 -6.2063 -6.2063 1.4220 1.4220 1.5076 1.5076 2.7186 2.7186 2.8249 2.8249 3.2016 3.2016 3.2395 3.2395 4.0338 4.0338 4.1013 4.1013 4.1802 4.1802 4.2312 4.2312 4.3272 4.3272 4.3729 4.3729 4.5492 4.5492 4.7067 4.7067 5.3436 5.3436 5.3997 5.3997 8.5477 8.5477 8.5578 8.5578 10.2369 10.2369 10.3087 10.3087 11.9544 11.9544 k = 0.3910 0.4774 0.2191 ( 5114 PWs) bands (ev): -24.0157 -24.0157 -24.0157 -24.0157 -7.8316 -7.8316 -7.7963 -7.7963 -7.6052 -7.6052 -7.5506 -7.5506 -7.4765 -7.4765 -7.4667 -7.4667 -6.2110 -6.2110 -6.2036 -6.2036 1.4333 1.4333 1.5257 1.5257 2.6874 2.6874 2.8028 2.8028 3.2001 3.2001 3.2400 3.2400 4.0220 4.0220 4.0974 4.0974 4.1772 4.1772 4.2284 4.2284 4.3214 4.3214 4.3722 4.3722 4.5306 4.5306 4.6915 4.6915 5.3523 5.3523 5.4100 5.4100 8.5513 8.5513 8.5617 8.5617 10.3408 10.3408 10.4205 10.4205 11.9359 11.9359 k = 0.3846 0.4885 0.2191 ( 5122 PWs) bands (ev): -24.0156 -24.0156 -24.0156 -24.0156 -7.8310 -7.8310 -7.7940 -7.7940 -7.6081 -7.6081 -7.5510 -7.5510 -7.4774 -7.4774 -7.4670 -7.4670 -6.2087 -6.2087 -6.2012 -6.2012 1.4439 1.4439 1.5432 1.5432 2.6572 2.6572 2.7815 2.7815 3.1987 3.1987 3.2404 3.2404 4.0110 4.0110 4.0939 4.0939 4.1738 4.1738 4.2254 4.2254 4.3163 4.3163 4.3716 4.3716 4.5147 4.5147 4.6779 4.6779 5.3606 5.3606 5.4197 5.4197 8.5541 8.5541 8.5648 8.5648 10.4378 10.4378 10.5257 10.5257 11.9208 11.9214 k = 0.3782 0.4996 0.2191 ( 5118 PWs) bands (ev): -24.0155 -24.0155 -24.0155 -24.0155 -7.8305 -7.8305 -7.7918 -7.7918 -7.6108 -7.6108 -7.5514 -7.5514 -7.4780 -7.4780 -7.4673 -7.4673 -6.2066 -6.2066 -6.1988 -6.1988 1.4537 1.4537 1.5596 1.5596 2.6287 2.6287 2.7617 2.7617 3.1973 3.1973 3.2407 3.2407 4.0011 4.0011 4.0909 4.0909 4.1702 4.1702 4.2224 4.2224 4.3120 4.3120 4.3711 4.3711 4.5013 4.5013 4.6661 4.6661 5.3684 5.3684 5.4288 5.4288 8.5562 8.5562 8.5672 8.5672 10.5262 10.5262 10.6222 10.6222 11.9094 11.9096 k = 0.3718 0.5107 0.2191 ( 5114 PWs) bands (ev): -24.0154 -24.0154 -24.0154 -24.0154 -7.8301 -7.8301 -7.7899 -7.7899 -7.6132 -7.6132 -7.5518 -7.5518 -7.4785 -7.4785 -7.4674 -7.4674 -6.2046 -6.2046 -6.1967 -6.1967 1.4624 1.4624 1.5747 1.5747 2.6026 2.6026 2.7436 2.7436 3.1961 3.1961 3.2409 3.2409 3.9922 3.9922 4.0884 4.0884 4.1665 4.1665 4.2195 4.2195 4.3085 4.3085 4.3707 4.3707 4.4901 4.4901 4.6558 4.6558 5.3757 5.3757 5.4371 5.4371 8.5576 8.5576 8.5688 8.5688 10.6043 10.6043 10.7082 10.7082 11.9014 11.9017 k = 0.3654 0.5218 0.2191 ( 5114 PWs) bands (ev): -24.0154 -24.0154 -24.0154 -24.0154 -7.8297 -7.8297 -7.7883 -7.7883 -7.6154 -7.6154 -7.5523 -7.5523 -7.4788 -7.4788 -7.4675 -7.4675 -6.2029 -6.2029 -6.1948 -6.1948 1.4699 1.4699 1.5881 1.5881 2.5794 2.5794 2.7278 2.7278 3.1949 3.1949 3.2410 3.2410 3.9845 3.9845 4.0863 4.0863 4.1629 4.1629 4.2167 4.2167 4.3057 4.3057 4.3703 4.3703 4.4810 4.4810 4.6472 4.6472 5.3823 5.3823 5.4445 5.4445 8.5583 8.5583 8.5697 8.5697 10.6709 10.6709 10.7820 10.7820 11.8966 11.8969 k = 0.3590 0.5329 0.2191 ( 5106 PWs) bands (ev): -24.0153 -24.0153 -24.0153 -24.0153 -7.8294 -7.8294 -7.7869 -7.7869 -7.6173 -7.6173 -7.5527 -7.5527 -7.4791 -7.4791 -7.4675 -7.4675 -6.2013 -6.2013 -6.1932 -6.1932 1.4760 1.4760 1.5993 1.5993 2.5597 2.5597 2.7145 2.7145 3.1939 3.1939 3.2410 3.2410 3.9782 3.9782 4.0847 4.0847 4.1597 4.1597 4.2143 4.2143 4.3037 4.3037 4.3701 4.3701 4.4737 4.4737 4.6401 4.6401 5.3880 5.3880 5.4509 5.4509 8.5586 8.5586 8.5701 8.5701 10.7252 10.7252 10.8424 10.8424 11.8946 11.8958 k = 0.3526 0.5440 0.2191 ( 5106 PWs) bands (ev): -24.0152 -24.0152 -24.0152 -24.0152 -7.8292 -7.8292 -7.7858 -7.7858 -7.6188 -7.6188 -7.5531 -7.5531 -7.4792 -7.4792 -7.4675 -7.4675 -6.2001 -6.2001 -6.1919 -6.1919 1.4807 1.4807 1.6082 1.6082 2.5440 2.5440 2.7040 2.7040 3.1930 3.1930 3.2410 3.2410 3.9731 3.9731 4.0834 4.0834 4.1569 4.1569 4.2123 4.2123 4.3023 4.3023 4.3699 4.3699 4.4681 4.4681 4.6345 4.6345 5.3927 5.3927 5.4561 5.4561 8.5584 8.5584 8.5700 8.5700 10.7667 10.7667 10.8887 10.8887 11.8949 11.8954 k = 0.3462 0.5551 0.2191 ( 5102 PWs) bands (ev): -24.0152 -24.0152 -24.0152 -24.0152 -7.8291 -7.8291 -7.7851 -7.7851 -7.6198 -7.6198 -7.5534 -7.5534 -7.4792 -7.4792 -7.4675 -7.4675 -6.1992 -6.1992 -6.1909 -6.1909 1.4839 1.4839 1.6146 1.6146 2.5326 2.5326 2.6964 2.6964 3.1924 3.1924 3.2410 3.2410 3.9695 3.9695 4.0825 4.0825 4.1548 4.1548 4.2108 4.2108 4.3014 4.3014 4.3697 4.3697 4.4642 4.4642 4.6306 4.6306 5.3962 5.3962 5.4600 5.4600 8.5580 8.5580 8.5697 8.5697 10.7956 10.7956 10.9210 10.9210 11.8953 11.8953 k = 0.3397 0.5662 0.2191 ( 5094 PWs) bands (ev): -24.0152 -24.0152 -24.0152 -24.0152 -7.8290 -7.8290 -7.7846 -7.7846 -7.6205 -7.6205 -7.5536 -7.5536 -7.4793 -7.4793 -7.4675 -7.4675 -6.1986 -6.1986 -6.1903 -6.1903 1.4857 1.4857 1.6183 1.6183 2.5258 2.5258 2.6920 2.6920 3.1920 3.1920 3.2410 3.2410 3.9672 3.9672 4.0820 4.0820 4.1535 4.1535 4.2099 4.2099 4.3009 4.3009 4.3696 4.3696 4.4619 4.4619 4.6282 4.6282 5.3984 5.3984 5.4624 5.4624 8.5576 8.5576 8.5693 8.5693 10.8123 10.8123 10.9397 10.9397 11.8963 11.8964 k = 0.3333 0.5774 0.2191 ( 5094 PWs) bands (ev): -24.0151 -24.0151 -24.0151 -24.0151 -7.8290 -7.8290 -7.7845 -7.7845 -7.6207 -7.6207 -7.5537 -7.5537 -7.4793 -7.4793 -7.4675 -7.4675 -6.1984 -6.1984 -6.1901 -6.1901 1.4863 1.4863 1.6195 1.6195 2.5236 2.5236 2.6905 2.6905 3.1919 3.1919 3.2410 3.2410 3.9665 3.9665 4.0818 4.0818 4.1531 4.1531 4.2096 4.2096 4.3007 4.3007 4.3696 4.3696 4.4611 4.4611 4.6274 4.6274 5.3992 5.3992 5.4632 5.4632 8.5574 8.5574 8.5691 8.5691 10.8177 10.8177 10.9457 10.9457 11.8967 11.8992 k = 0.3333 0.5774 0.2191 ( 5094 PWs) bands (ev): -24.0151 -24.0151 -24.0151 -24.0151 -7.8290 -7.8290 -7.7845 -7.7845 -7.6207 -7.6207 -7.5537 -7.5537 -7.4793 -7.4793 -7.4675 -7.4675 -6.1984 -6.1984 -6.1901 -6.1901 1.4863 1.4863 1.6195 1.6195 2.5236 2.5236 2.6905 2.6905 3.1919 3.1919 3.2410 3.2410 3.9665 3.9665 4.0818 4.0818 4.1531 4.1531 4.2096 4.2096 4.3007 4.3007 4.3696 4.3696 4.4611 4.4611 4.6274 4.6274 5.3992 5.3992 5.4632 5.4632 8.5574 8.5574 8.5691 8.5691 10.8177 10.8177 10.9457 10.9457 11.8967 11.8992 k = 0.3268 0.5660 0.2191 ( 5090 PWs) bands (ev): -24.0151 -24.0151 -24.0151 -24.0151 -7.8290 -7.8290 -7.7846 -7.7846 -7.6204 -7.6204 -7.5536 -7.5536 -7.4793 -7.4793 -7.4675 -7.4675 -6.1986 -6.1986 -6.1903 -6.1903 1.4858 1.4858 1.6184 1.6184 2.5258 2.5258 2.6920 2.6920 3.1920 3.1920 3.2410 3.2410 3.9673 3.9673 4.0820 4.0820 4.1536 4.1536 4.2100 4.2100 4.3009 4.3009 4.3696 4.3696 4.4620 4.4620 4.6283 4.6283 5.3983 5.3983 5.4623 5.4623 8.5577 8.5577 8.5694 8.5694 10.8125 10.8125 10.9399 10.9399 11.8962 11.8973 k = 0.3203 0.5547 0.2191 ( 5104 PWs) bands (ev): -24.0152 -24.0152 -24.0152 -24.0152 -7.8291 -7.8291 -7.7850 -7.7850 -7.6198 -7.6198 -7.5534 -7.5534 -7.4793 -7.4793 -7.4676 -7.4676 -6.1993 -6.1993 -6.1910 -6.1910 1.4844 1.4844 1.6152 1.6152 2.5323 2.5323 2.6961 2.6961 3.1925 3.1925 3.2410 3.2410 3.9697 3.9697 4.0825 4.0825 4.1550 4.1550 4.2111 4.2111 4.3013 4.3013 4.3697 4.3697 4.4644 4.4644 4.6308 4.6308 5.3957 5.3957 5.4595 5.4595 8.5587 8.5587 8.5704 8.5704 10.7975 10.7975 10.9234 10.9234 11.8949 11.8982 k = 0.3137 0.5434 0.2191 ( 5096 PWs) bands (ev): -24.0152 -24.0152 -24.0152 -24.0152 -7.8291 -7.8291 -7.7856 -7.7856 -7.6188 -7.6188 -7.5530 -7.5530 -7.4794 -7.4794 -7.4677 -7.4677 -6.2004 -6.2004 -6.1922 -6.1922 1.4825 1.4825 1.6105 1.6105 2.5424 2.5424 2.7027 2.7027 3.1933 3.1933 3.2412 3.2412 3.9740 3.9740 4.0835 4.0835 4.1574 4.1574 4.2131 4.2131 4.3021 4.3021 4.3699 4.3699 4.4687 4.4687 4.6352 4.6352 5.3914 5.3914 5.4548 5.4548 8.5607 8.5607 8.5723 8.5723 10.7738 10.7738 10.8974 10.8974 11.8926 11.8945 k = 0.3072 0.5321 0.2191 ( 5096 PWs) bands (ev): -24.0153 -24.0153 -24.0153 -24.0153 -7.8291 -7.8291 -7.7864 -7.7864 -7.6174 -7.6174 -7.5525 -7.5525 -7.4795 -7.4795 -7.4678 -7.4678 -6.2021 -6.2021 -6.1939 -6.1939 1.4804 1.4804 1.6048 1.6048 2.5556 2.5556 2.7113 2.7113 3.1944 3.1944 3.2414 3.2414 3.9800 3.9800 4.0848 4.0848 4.1607 4.1607 4.2161 4.2161 4.3033 4.3033 4.3701 4.3701 4.4748 4.4748 4.6414 4.6414 5.3850 5.3850 5.4481 5.4481 8.5640 8.5640 8.5755 8.5755 10.7427 10.7427 10.8633 10.8633 11.8908 11.8919 k = 0.3007 0.5207 0.2191 ( 5100 PWs) bands (ev): -24.0154 -24.0154 -24.0154 -24.0154 -7.8292 -7.8292 -7.7873 -7.7873 -7.6157 -7.6157 -7.5518 -7.5518 -7.4797 -7.4797 -7.4680 -7.4680 -6.2042 -6.2042 -6.1961 -6.1961 1.4785 1.4785 1.5987 1.5987 2.5712 2.5712 2.7214 2.7214 3.1957 3.1957 3.2416 3.2416 3.9879 3.9879 4.0865 4.0865 4.1647 4.1647 4.2203 4.2203 4.3049 4.3049 4.3704 4.3704 4.4828 4.4828 4.6496 4.6496 5.3767 5.3767 5.4392 5.4392 8.5688 8.5688 8.5802 8.5802 10.7050 10.7050 10.8222 10.8222 11.8884 11.8884 k = 0.2941 0.5094 0.2191 ( 5096 PWs) bands (ev): -24.0155 -24.0155 -24.0155 -24.0155 -7.8291 -7.8291 -7.7883 -7.7883 -7.6137 -7.6137 -7.5510 -7.5510 -7.4800 -7.4800 -7.4683 -7.4683 -6.2068 -6.2068 -6.1989 -6.1989 1.4771 1.4771 1.5927 1.5927 2.5885 2.5885 2.7325 2.7325 3.1974 3.1974 3.2419 3.2419 3.9977 3.9977 4.0886 4.0886 4.1692 4.1692 4.2259 4.2259 4.3069 4.3069 4.3709 4.3709 4.4930 4.4930 4.6598 4.6598 5.3664 5.3664 5.4282 5.4282 8.5753 8.5753 8.5866 8.5866 10.6617 10.6617 10.7754 10.7754 11.8850 11.8850 k = 0.2876 0.4981 0.2191 ( 5112 PWs) bands (ev): -24.0157 -24.0157 -24.0157 -24.0157 -7.8290 -7.8290 -7.7894 -7.7894 -7.6116 -7.6116 -7.5502 -7.5502 -7.4803 -7.4803 -7.4686 -7.4686 -6.2100 -6.2100 -6.2022 -6.2022 1.4765 1.4765 1.5872 1.5872 2.6070 2.6070 2.7443 2.7443 3.1993 3.1993 3.2423 3.2423 4.0093 4.0093 4.0914 4.0914 4.1736 4.1736 4.2331 4.2331 4.3096 4.3096 4.3714 4.3714 4.5053 4.5053 4.6720 4.6720 5.3540 5.3540 5.4151 5.4151 8.5838 8.5838 8.5949 8.5949 10.6139 10.6139 10.7239 10.7239 11.8814 11.8814 k = 0.2810 0.4868 0.2191 ( 5116 PWs) bands (ev): -24.0158 -24.0158 -24.0158 -24.0158 -7.8288 -7.8288 -7.7904 -7.7904 -7.6092 -7.6092 -7.5493 -7.5493 -7.4807 -7.4807 -7.4690 -7.4690 -6.2137 -6.2137 -6.2060 -6.2060 1.4770 1.4770 1.5828 1.5828 2.6260 2.6260 2.7563 2.7563 3.2015 3.2015 3.2427 3.2427 4.0227 4.0227 4.0950 4.0950 4.1778 4.1778 4.2421 4.2421 4.3131 4.3131 4.3721 4.3721 4.5201 4.5201 4.6864 4.6864 5.3396 5.3396 5.3998 5.3998 8.5944 8.5944 8.6054 8.6054 10.5622 10.5622 10.6685 10.6685 11.8768 11.8768 k = 0.2745 0.4755 0.2191 ( 5114 PWs) bands (ev): -24.0160 -24.0160 -24.0160 -24.0160 -7.8285 -7.8285 -7.7913 -7.7913 -7.6068 -7.6068 -7.5483 -7.5483 -7.4812 -7.4812 -7.4695 -7.4695 -6.2180 -6.2180 -6.2104 -6.2104 1.4790 1.4790 1.5798 1.5798 2.6449 2.6449 2.7681 2.7681 3.2038 3.2038 3.2431 3.2431 4.0373 4.0373 4.1000 4.1000 4.1815 4.1815 4.2528 4.2528 4.3179 4.3179 4.3729 4.3729 4.5376 4.5376 4.7030 4.7030 5.3231 5.3231 5.3824 5.3824 8.6073 8.6073 8.6181 8.6181 10.5075 10.5075 10.6101 10.6101 11.8701 11.8701 k = 0.2680 0.4641 0.2191 ( 5118 PWs) bands (ev): -24.0162 -24.0162 -24.0162 -24.0162 -7.8280 -7.8280 -7.7922 -7.7922 -7.6042 -7.6042 -7.5473 -7.5473 -7.4817 -7.4817 -7.4700 -7.4700 -6.2228 -6.2228 -6.2154 -6.2154 1.4826 1.4826 1.5785 1.5785 2.6633 2.6633 2.7793 2.7793 3.2063 3.2063 3.2435 3.2435 4.0521 4.0521 4.1075 4.1075 4.1846 4.1846 4.2644 4.2644 4.3248 4.3248 4.3741 4.3741 4.5579 4.5579 4.7220 4.7220 5.3047 5.3047 5.3630 5.3630 8.6225 8.6225 8.6332 8.6332 10.4504 10.4504 10.5494 10.5494 11.8593 11.8593 k = 0.2614 0.4528 0.2191 ( 5122 PWs) bands (ev): -24.0165 -24.0165 -24.0165 -24.0165 -7.8274 -7.8274 -7.7930 -7.7930 -7.6017 -7.6017 -7.5464 -7.5464 -7.4822 -7.4822 -7.4705 -7.4705 -6.2281 -6.2281 -6.2208 -6.2208 1.4881 1.4881 1.5792 1.5792 2.6808 2.6808 2.7896 2.7896 3.2087 3.2087 3.2438 3.2438 4.0653 4.0653 4.1191 4.1191 4.1870 4.1870 4.2758 4.2758 4.3347 4.3347 4.3756 4.3756 4.5812 4.5812 4.7435 4.7435 5.2845 5.2845 5.3416 5.3416 8.6403 8.6403 8.6508 8.6508 10.3914 10.3914 10.4869 10.4869 11.8419 11.8419 k = 0.2549 0.4415 0.2191 ( 5120 PWs) bands (ev): -24.0167 -24.0167 -24.0167 -24.0167 -7.8267 -7.8267 -7.7936 -7.7936 -7.5992 -7.5992 -7.5456 -7.5456 -7.4826 -7.4826 -7.4710 -7.4710 -6.2338 -6.2338 -6.2268 -6.2268 1.4956 1.4956 1.5821 1.5821 2.6969 2.6969 2.7987 2.7987 3.2112 3.2112 3.2441 3.2441 4.0756 4.0756 4.1361 4.1361 4.1887 4.1887 4.2856 4.2856 4.3490 4.3490 4.3777 4.3777 4.6078 4.6078 4.7675 4.7675 5.2624 5.2624 5.3185 5.3185 8.6606 8.6606 8.6709 8.6709 10.3311 10.3311 10.4232 10.4232 11.8153 11.8153 k = 0.2484 0.4302 0.2191 ( 5126 PWs) bands (ev): -24.0170 -24.0170 -24.0170 -24.0170 -7.8258 -7.8258 -7.7941 -7.7941 -7.5967 -7.5967 -7.5450 -7.5450 -7.4830 -7.4830 -7.4716 -7.4716 -6.2401 -6.2401 -6.2333 -6.2333 1.5053 1.5053 1.5873 1.5873 2.7115 2.7115 2.8065 2.8065 3.2136 3.2136 3.2444 3.2444 4.0829 4.0829 4.1580 4.1580 4.1900 4.1900 4.2934 4.2934 4.3678 4.3678 4.3805 4.3805 4.6377 4.6377 4.7940 4.7940 5.2388 5.2388 5.2936 5.2936 8.6835 8.6835 8.6935 8.6935 10.2697 10.2697 10.3586 10.3586 11.7778 11.7778 k = 0.2418 0.4189 0.2191 ( 5118 PWs) bands (ev): -24.0173 -24.0173 -24.0173 -24.0173 -7.8248 -7.8248 -7.7945 -7.7945 -7.5943 -7.5943 -7.5445 -7.5445 -7.4833 -7.4833 -7.4721 -7.4721 -6.2469 -6.2469 -6.2403 -6.2403 1.5173 1.5173 1.5950 1.5950 2.7243 2.7243 2.8129 2.8129 3.2159 3.2159 3.2445 3.2445 4.0883 4.0883 4.1835 4.1835 4.1907 4.1907 4.2993 4.2993 4.3846 4.3846 4.3908 4.3908 4.6711 4.6711 4.8232 4.8232 5.2137 5.2137 5.2673 5.2673 8.7088 8.7088 8.7186 8.7186 10.2078 10.2078 10.2935 10.2935 11.7292 11.7292 k = 0.2353 0.4075 0.2191 ( 5130 PWs) bands (ev): -24.0176 -24.0176 -24.0176 -24.0176 -7.8236 -7.8236 -7.7947 -7.7947 -7.5920 -7.5920 -7.5443 -7.5443 -7.4834 -7.4834 -7.4725 -7.4725 -6.2541 -6.2541 -6.2477 -6.2477 1.5316 1.5316 1.6052 1.6052 2.7352 2.7352 2.8177 2.8177 3.2179 3.2179 3.2445 3.2445 4.0926 4.0926 4.1910 4.1910 4.2107 4.2107 4.3040 4.3040 4.3905 4.3905 4.4171 4.4171 4.7080 4.7080 4.8550 4.8550 5.1874 5.1874 5.2396 5.2396 8.7366 8.7366 8.7461 8.7461 10.1456 10.1456 10.2282 10.2282 11.6712 11.6712 k = 0.2288 0.3962 0.2191 ( 5122 PWs) bands (ev): -24.0180 -24.0180 -24.0180 -24.0180 -7.8223 -7.8223 -7.7948 -7.7948 -7.5899 -7.5899 -7.5443 -7.5443 -7.4834 -7.4834 -7.4729 -7.4729 -6.2617 -6.2617 -6.2555 -6.2555 1.5483 1.5483 1.6179 1.6179 2.7442 2.7442 2.8210 2.8210 3.2197 3.2197 3.2445 3.2445 4.0964 4.0964 4.1909 4.1909 4.2381 4.2381 4.3078 4.3078 4.3995 4.3995 4.4462 4.4462 4.7484 4.7484 4.8894 4.8894 5.1602 5.1602 5.2111 5.2111 8.7667 8.7667 8.7759 8.7759 10.0833 10.0833 10.1629 10.1629 11.6062 11.6062 k = 0.2222 0.3849 0.2191 ( 5124 PWs) bands (ev): -24.0184 -24.0184 -24.0184 -24.0184 -7.8209 -7.8209 -7.7947 -7.7947 -7.5879 -7.5879 -7.5446 -7.5446 -7.4831 -7.4831 -7.4732 -7.4732 -6.2697 -6.2697 -6.2638 -6.2638 1.5673 1.5673 1.6332 1.6332 2.7512 2.7512 2.8227 2.8227 3.2214 3.2214 3.2443 3.2443 4.0999 4.0999 4.1906 4.1906 4.2635 4.2635 4.3111 4.3111 4.4130 4.4130 4.4775 4.4775 4.7917 4.7917 4.9260 4.9260 5.1327 5.1327 5.1823 5.1823 8.7989 8.7989 8.8078 8.8078 10.0212 10.0212 10.0979 10.0979 11.5368 11.5368 k = 0.2157 0.3736 0.2191 ( 5124 PWs) bands (ev): -24.0188 -24.0188 -24.0188 -24.0188 -7.8193 -7.8193 -7.7946 -7.7946 -7.5862 -7.5862 -7.5453 -7.5453 -7.4825 -7.4825 -7.4733 -7.4733 -6.2780 -6.2780 -6.2724 -6.2724 1.5887 1.5887 1.6510 1.6510 2.7562 2.7562 2.8228 2.8228 3.2228 3.2228 3.2441 3.2441 4.1030 4.1030 4.1899 4.1899 4.2848 4.2848 4.3139 4.3139 4.4329 4.4329 4.5108 4.5108 4.8374 4.8374 4.9638 4.9638 5.1057 5.1057 5.1544 5.1544 8.8330 8.8330 8.8416 8.8416 9.9595 9.9595 10.0333 10.0333 11.4648 11.4648 k = 0.2092 0.3623 0.2191 ( 5132 PWs) bands (ev): -24.0192 -24.0192 -24.0192 -24.0192 -7.8178 -7.8178 -7.7944 -7.7944 -7.5845 -7.5845 -7.5462 -7.5462 -7.4817 -7.4817 -7.4732 -7.4732 -6.2867 -6.2867 -6.2813 -6.2813 1.6123 1.6123 1.6713 1.6713 2.7594 2.7594 2.8214 2.8214 3.2240 3.2240 3.2437 3.2437 4.1060 4.1060 4.1889 4.1889 4.3009 4.3009 4.3164 4.3164 4.4600 4.4600 4.5458 4.5458 4.8832 4.8832 4.9996 4.9996 5.0813 5.0813 5.1308 5.1308 8.8687 8.8687 8.8770 8.8770 9.8985 9.8985 9.9695 9.9695 11.3920 11.3920 k = 0.2026 0.3509 0.2191 ( 5124 PWs) bands (ev): -24.0196 -24.0196 -24.0196 -24.0196 -7.8162 -7.8162 -7.7942 -7.7942 -7.5831 -7.5831 -7.5473 -7.5473 -7.4806 -7.4806 -7.4730 -7.4730 -6.2956 -6.2956 -6.2905 -6.2905 1.6382 1.6382 1.6939 1.6939 2.7607 2.7607 2.8186 2.8186 3.2250 3.2250 3.2432 3.2432 4.1089 4.1089 4.1878 4.1878 4.3120 4.3120 4.3187 4.3187 4.4937 4.4937 4.5825 4.5825 4.9232 4.9232 5.0222 5.0222 5.0657 5.0657 5.1229 5.1229 8.9056 8.9056 8.9134 8.9134 9.8386 9.8386 9.9066 9.9066 11.3195 11.3195 k = 0.1961 0.3396 0.2191 ( 5124 PWs) bands (ev): -24.0201 -24.0201 -24.0201 -24.0201 -7.8145 -7.8145 -7.7940 -7.7940 -7.5818 -7.5818 -7.5487 -7.5487 -7.4792 -7.4792 -7.4725 -7.4725 -6.3048 -6.3048 -6.3000 -6.3000 1.6662 1.6662 1.7188 1.7188 2.7604 2.7604 2.8144 2.8144 3.2258 3.2258 3.2427 3.2427 4.1116 4.1116 4.1864 4.1864 4.3194 4.3194 4.3207 4.3207 4.5327 4.5327 4.6207 4.6207 4.9426 4.9426 5.0166 5.0166 5.0735 5.0735 5.1460 5.1460 8.9429 8.9429 8.9504 8.9504 9.7801 9.7801 9.8452 9.8452 11.2482 11.2482 k = 0.1895 0.3283 0.2191 ( 5130 PWs) bands (ev): -24.0205 -24.0205 -24.0205 -24.0205 -7.8130 -7.8130 -7.7938 -7.7938 -7.5807 -7.5807 -7.5502 -7.5502 -7.4776 -7.4776 -7.4718 -7.4718 -6.3142 -6.3142 -6.3096 -6.3096 1.6962 1.6962 1.7459 1.7459 2.7585 2.7585 2.8090 2.8090 3.2265 3.2265 3.2421 3.2421 4.1142 4.1142 4.1848 4.1848 4.3225 4.3225 4.3242 4.3242 4.5753 4.5753 4.6602 4.6602 4.9345 4.9345 4.9934 4.9934 5.1117 5.1117 5.1896 5.1896 8.9798 8.9798 8.9872 8.9872 9.7236 9.7236 9.7856 9.7856 11.1789 11.1789 k = 0.1830 0.3170 0.2191 ( 5138 PWs) bands (ev): -24.0210 -24.0210 -24.0210 -24.0210 -7.8115 -7.8115 -7.7937 -7.7937 -7.5797 -7.5797 -7.5519 -7.5519 -7.4758 -7.4758 -7.4709 -7.4709 -6.3238 -6.3238 -6.3195 -6.3195 1.7281 1.7281 1.7749 1.7749 2.7552 2.7552 2.8024 2.8024 3.2270 3.2270 3.2414 3.2414 4.1167 4.1167 4.1830 4.1830 4.3241 4.3241 4.3273 4.3273 4.6202 4.6202 4.7005 4.7005 4.9132 4.9132 4.9651 4.9651 5.1664 5.1664 5.2416 5.2416 9.0152 9.0152 9.0224 9.0224 9.6701 9.6701 9.7289 9.7289 11.1123 11.1123 k = 0.1765 0.3057 0.2191 ( 5126 PWs) bands (ev): -24.0215 -24.0215 -24.0215 -24.0215 -7.8101 -7.8101 -7.7938 -7.7938 -7.5788 -7.5788 -7.5535 -7.5535 -7.4738 -7.4738 -7.4697 -7.4697 -6.3334 -6.3334 -6.3294 -6.3294 1.7617 1.7617 1.8058 1.8058 2.7506 2.7506 2.7948 2.7948 3.2273 3.2273 3.2406 3.2406 4.1191 4.1191 4.1811 4.1811 4.3256 4.3256 4.3294 4.3294 4.6662 4.6662 4.7402 4.7402 4.8895 4.8895 4.9366 4.9366 5.2284 5.2284 5.2980 5.2980 9.0471 9.0471 9.0545 9.0545 9.6211 9.6211 9.6762 9.6762 11.0488 11.0488 k = 0.1699 0.2943 0.2191 ( 5134 PWs) bands (ev): -24.0220 -24.0220 -24.0220 -24.0220 -7.8090 -7.8090 -7.7940 -7.7940 -7.5779 -7.5779 -7.5552 -7.5552 -7.4716 -7.4716 -7.4684 -7.4684 -6.3432 -6.3432 -6.3394 -6.3394 1.7968 1.7968 1.8384 1.8384 2.7449 2.7449 2.7863 2.7863 3.2275 3.2275 3.2397 3.2397 4.1212 4.1212 4.1790 4.1790 4.3269 4.3269 4.3307 4.3307 4.7106 4.7106 4.7736 4.7736 4.8723 4.8723 4.9110 4.9110 5.2941 5.2941 5.3575 5.3575 9.0727 9.0727 9.0810 9.0810 9.5788 9.5788 9.6296 9.6296 10.9892 10.9892 k = 0.1634 0.2830 0.2191 ( 5136 PWs) bands (ev): -24.0225 -24.0225 -24.0225 -24.0225 -7.8080 -7.8080 -7.7944 -7.7944 -7.5770 -7.5770 -7.5567 -7.5567 -7.4693 -7.4693 -7.4667 -7.4667 -6.3530 -6.3530 -6.3495 -6.3495 1.8333 1.8333 1.8724 1.8724 2.7382 2.7382 2.7770 2.7770 3.2275 3.2275 3.2387 3.2387 4.1232 4.1232 4.1767 4.1767 4.3280 4.3280 4.3315 4.3315 4.7475 4.7475 4.7834 4.7834 4.8801 4.8801 4.8950 4.8950 5.3622 5.3622 5.4194 5.4194 9.0884 9.0884 9.0984 9.0984 9.5465 9.5465 9.5919 9.5919 10.9338 10.9338 k = 0.1569 0.2717 0.2191 ( 5140 PWs) bands (ev): -24.0230 -24.0230 -24.0230 -24.0230 -7.8073 -7.8073 -7.7950 -7.7950 -7.5760 -7.5760 -7.5581 -7.5581 -7.4668 -7.4668 -7.4649 -7.4649 -6.3628 -6.3628 -6.3596 -6.3596 1.8709 1.8709 1.9078 1.9078 2.7306 2.7306 2.7671 2.7671 3.2274 3.2274 3.2375 3.2375 4.1250 4.1250 4.1743 4.1743 4.3291 4.3291 4.3319 4.3319 4.7637 4.7637 4.7668 4.7668 4.9018 4.9018 4.9164 4.9164 5.4319 5.4319 5.4830 5.4830 9.0901 9.0901 9.1028 9.1028 9.5276 9.5276 9.5665 9.5665 10.8834 10.8834 k = 0.1503 0.2604 0.2191 ( 5138 PWs) bands (ev): -24.0235 -24.0235 -24.0235 -24.0235 -7.8069 -7.8069 -7.7959 -7.7959 -7.5750 -7.5750 -7.5592 -7.5592 -7.4642 -7.4642 -7.4629 -7.4629 -6.3726 -6.3726 -6.3697 -6.3697 1.9096 1.9096 1.9442 1.9442 2.7224 2.7224 2.7565 2.7565 3.2270 3.2270 3.2363 3.2363 4.1267 4.1267 4.1718 4.1718 4.3299 4.3299 4.3321 4.3321 4.7413 4.7413 4.7546 4.7546 4.9365 4.9365 4.9644 4.9644 5.5026 5.5026 5.5480 5.5480 9.0753 9.0753 9.0911 9.0911 9.5237 9.5237 9.5556 9.5556 10.8385 10.8385 k = 0.1438 0.2491 0.2191 ( 5148 PWs) bands (ev): -24.0240 -24.0240 -24.0240 -24.0240 -7.8068 -7.8068 -7.7971 -7.7971 -7.5739 -7.5739 -7.5602 -7.5602 -7.4615 -7.4615 -7.4606 -7.4606 -6.3823 -6.3823 -6.3797 -6.3797 1.9489 1.9489 1.9814 1.9814 2.7135 2.7135 2.7455 2.7455 3.2264 3.2264 3.2348 3.2348 4.1281 4.1281 4.1691 4.1691 4.3306 4.3306 4.3320 4.3320 4.7135 4.7135 4.7326 4.7326 4.9868 4.9868 5.0176 5.0176 5.5738 5.5738 5.6138 5.6138 9.0447 9.0447 9.0632 9.0632 9.5335 9.5335 9.5588 9.5588 10.7998 10.7998 k = 0.1373 0.2377 0.2191 ( 5144 PWs) bands (ev): -24.0245 -24.0245 -24.0245 -24.0245 -7.8071 -7.8071 -7.7985 -7.7985 -7.5727 -7.5727 -7.5609 -7.5609 -7.4587 -7.4587 -7.4582 -7.4582 -6.3919 -6.3919 -6.3895 -6.3895 1.9889 1.9889 2.0193 2.0193 2.7043 2.7043 2.7343 2.7343 3.2256 3.2256 3.2331 3.2331 4.1293 4.1293 4.1664 4.1664 4.3312 4.3312 4.3318 4.3318 4.6854 4.6854 4.7063 4.7063 5.0444 5.0444 5.0745 5.0745 5.6450 5.6450 5.6802 5.6802 9.0014 9.0014 9.0213 9.0213 9.5528 9.5528 9.5726 9.5726 10.7679 10.7679 k = 0.1307 0.2264 0.2191 ( 5146 PWs) bands (ev): -24.0250 -24.0250 -24.0250 -24.0250 -7.8077 -7.8077 -7.8002 -7.8002 -7.5713 -7.5713 -7.5612 -7.5612 -7.4559 -7.4559 -7.4557 -7.4557 -6.4014 -6.4014 -6.3992 -6.3992 2.0291 2.0291 2.0575 2.0575 2.6947 2.6947 2.7228 2.7228 3.2245 3.2245 3.2312 3.2312 4.1304 4.1304 4.1635 4.1635 4.3315 4.3315 4.3317 4.3317 4.6577 4.6577 4.6787 4.6787 5.1065 5.1065 5.1344 5.1344 5.7159 5.7159 5.7467 5.7467 8.9486 8.9486 8.9688 8.9688 9.5776 9.5776 9.5928 9.5928 10.7436 10.7436 k = 0.1242 0.2151 0.2191 ( 5142 PWs) bands (ev): -24.0255 -24.0255 -24.0255 -24.0255 -7.8086 -7.8086 -7.8022 -7.8022 -7.5698 -7.5698 -7.5613 -7.5613 -7.4530 -7.4530 -7.4529 -7.4529 -6.4106 -6.4106 -6.4087 -6.4087 2.0694 2.0694 2.0959 2.0959 2.6849 2.6849 2.7111 2.7111 3.2232 3.2232 3.2290 3.2290 4.1312 4.1312 4.1606 4.1606 4.3311 4.3311 4.3321 4.3321 4.6308 4.6308 4.6511 4.6511 5.1718 5.1718 5.1973 5.1973 5.7861 5.7861 5.8129 5.8129 8.8888 8.8888 8.9085 8.9085 9.6040 9.6040 9.6157 9.6157 10.7277 10.7277 k = 0.1176 0.2038 0.2191 ( 5150 PWs) bands (ev): -24.0260 -24.0260 -24.0260 -24.0260 -7.8099 -7.8099 -7.8045 -7.8045 -7.5682 -7.5682 -7.5611 -7.5611 -7.4502 -7.4502 -7.4499 -7.4499 -6.4197 -6.4197 -6.4180 -6.4180 2.1096 2.1096 2.1343 2.1343 2.6750 2.6750 2.6995 2.6995 3.2215 3.2215 3.2266 3.2266 4.1317 4.1317 4.1576 4.1576 4.3307 4.3307 4.3322 4.3322 4.6049 4.6049 4.6241 4.6241 5.2401 5.2401 5.2630 5.2630 5.8552 5.8552 5.8784 5.8784 8.8237 8.8237 8.8423 8.8423 9.6296 9.6296 9.6382 9.6382 10.7207 10.7207 k = 0.1111 0.1925 0.2191 ( 5150 PWs) bands (ev): -24.0265 -24.0265 -24.0265 -24.0265 -7.8115 -7.8115 -7.8069 -7.8069 -7.5665 -7.5665 -7.5607 -7.5607 -7.4473 -7.4473 -7.4469 -7.4469 -6.4285 -6.4285 -6.4271 -6.4271 2.1493 2.1493 2.1723 2.1723 2.6651 2.6651 2.6879 2.6879 3.2195 3.2195 3.2239 3.2239 4.1320 4.1320 4.1545 4.1545 4.3303 4.3303 4.3323 4.3323 4.5802 4.5802 4.5981 4.5981 5.3112 5.3112 5.3315 5.3315 5.9228 5.9228 5.9428 5.9428 8.7544 8.7544 8.7714 8.7714 9.6525 9.6525 9.6586 9.6586 10.7230 10.7230 k = 0.1046 0.1811 0.2191 ( 5146 PWs) bands (ev): -24.0269 -24.0269 -24.0269 -24.0269 -7.8133 -7.8133 -7.8096 -7.8096 -7.5647 -7.5647 -7.5599 -7.5599 -7.4443 -7.4443 -7.4439 -7.4439 -6.4370 -6.4370 -6.4358 -6.4358 2.1885 2.1885 2.2098 2.2098 2.6554 2.6554 2.6766 2.6766 3.2171 3.2171 3.2209 3.2209 4.1321 4.1321 4.1515 4.1515 4.3298 4.3298 4.3323 4.3323 4.5569 4.5569 4.5733 4.5733 5.3849 5.3849 5.4027 5.4027 5.9886 5.9886 6.0058 6.0058 8.6813 8.6813 8.6966 8.6966 9.6714 9.6714 9.6753 9.6753 10.7347 10.7347 k = 0.0980 0.1698 0.2191 ( 5150 PWs) bands (ev): -24.0274 -24.0274 -24.0274 -24.0274 -7.8154 -7.8154 -7.8124 -7.8124 -7.5629 -7.5629 -7.5590 -7.5590 -7.4412 -7.4412 -7.4408 -7.4408 -6.4453 -6.4453 -6.4442 -6.4442 2.2269 2.2269 2.2465 2.2465 2.6459 2.6459 2.6654 2.6654 3.2144 3.2144 3.2176 3.2176 4.1320 4.1320 4.1484 4.1484 4.3293 4.3293 4.3321 4.3321 4.5350 4.5350 4.5498 4.5498 5.4611 5.4611 5.4767 5.4767 6.0523 6.0523 6.0669 6.0669 8.6050 8.6050 8.6185 8.6185 9.6858 9.6858 9.6880 9.6880 10.7556 10.7556 k = 0.0915 0.1585 0.2191 ( 5150 PWs) bands (ev): -24.0278 -24.0278 -24.0278 -24.0278 -7.8177 -7.8177 -7.8152 -7.8152 -7.5610 -7.5610 -7.5580 -7.5580 -7.4382 -7.4382 -7.4378 -7.4378 -6.4531 -6.4531 -6.4522 -6.4522 2.2641 2.2641 2.2822 2.2822 2.6366 2.6366 2.6547 2.6547 3.2114 3.2114 3.2141 3.2141 4.1316 4.1316 4.1453 4.1453 4.3288 4.3288 4.3318 4.3318 4.5146 4.5146 4.5278 4.5278 5.5397 5.5397 5.5532 5.5532 6.1135 6.1135 6.1258 6.1258 8.5257 8.5257 8.5373 8.5373 9.6954 9.6954 9.6963 9.6963 10.7849 10.7849 k = 0.0850 0.1472 0.2191 ( 5156 PWs) bands (ev): -24.0282 -24.0282 -24.0282 -24.0282 -7.8201 -7.8201 -7.8182 -7.8182 -7.5591 -7.5591 -7.5568 -7.5568 -7.4352 -7.4352 -7.4348 -7.4348 -6.4606 -6.4606 -6.4599 -6.4599 2.3001 2.3001 2.3166 2.3166 2.6277 2.6277 2.6443 2.6443 3.2081 3.2081 3.2103 3.2103 4.1311 4.1311 4.1424 4.1424 4.3283 4.3283 4.3313 4.3313 4.4957 4.4957 4.5072 4.5072 5.6206 5.6206 5.6323 5.6323 6.1719 6.1719 6.1822 6.1822 8.4436 8.4436 8.4535 8.4535 9.7005 9.7005 9.7006 9.7006 10.8217 10.8217 k = 0.0784 0.1358 0.2191 ( 5152 PWs) bands (ev): -24.0286 -24.0286 -24.0286 -24.0286 -7.8226 -7.8226 -7.8211 -7.8211 -7.5572 -7.5572 -7.5555 -7.5555 -7.4322 -7.4322 -7.4318 -7.4318 -6.4677 -6.4677 -6.4671 -6.4671 2.3345 2.3345 2.3496 2.3496 2.6193 2.6193 2.6344 2.6344 3.2045 3.2045 3.2062 3.2062 4.1303 4.1303 4.1394 4.1394 4.3278 4.3278 4.3307 4.3307 4.4785 4.4785 4.4883 4.4883 5.7037 5.7037 5.7137 5.7137 6.2272 6.2272 6.2358 6.2358 8.3589 8.3589 8.3672 8.3672 9.7013 9.7013 9.7020 9.7020 10.8647 10.8647 k = 0.0719 0.1245 0.2191 ( 5148 PWs) bands (ev): -24.0290 -24.0290 -24.0290 -24.0290 -7.8251 -7.8251 -7.8240 -7.8240 -7.5555 -7.5555 -7.5541 -7.5541 -7.4292 -7.4292 -7.4289 -7.4289 -6.4743 -6.4743 -6.4738 -6.4738 2.3673 2.3673 2.3809 2.3809 2.6115 2.6115 2.6252 2.6252 3.2007 3.2007 3.2021 3.2021 4.1295 4.1295 4.1367 4.1367 4.3272 4.3272 4.3300 4.3300 4.4628 4.4628 4.4711 4.4711 5.7887 5.7887 5.7971 5.7971 6.2791 6.2791 6.2863 6.2863 8.2720 8.2720 8.2787 8.2787 9.6993 9.6993 9.7002 9.7002 10.9125 10.9125 k = 0.0654 0.1132 0.2191 ( 5148 PWs) bands (ev): -24.0293 -24.0293 -24.0293 -24.0293 -7.8276 -7.8276 -7.8268 -7.8268 -7.5537 -7.5537 -7.5528 -7.5528 -7.4264 -7.4264 -7.4261 -7.4261 -6.4805 -6.4805 -6.4801 -6.4801 2.3980 2.3980 2.4102 2.4102 2.6043 2.6043 2.6165 2.6165 3.1967 3.1967 3.1978 3.1978 4.1285 4.1285 4.1340 4.1340 4.3266 4.3266 4.3291 4.3291 4.4487 4.4487 4.4555 4.4555 5.8753 5.8753 5.8824 5.8824 6.3274 6.3274 6.3333 6.3333 8.1832 8.1832 8.1885 8.1885 9.6951 9.6951 9.6961 9.6961 10.9626 10.9632 k = 0.0588 0.1019 0.2191 ( 5148 PWs) bands (ev): -24.0296 -24.0296 -24.0296 -24.0296 -7.8300 -7.8300 -7.8294 -7.8294 -7.5521 -7.5521 -7.5515 -7.5515 -7.4237 -7.4237 -7.4235 -7.4235 -6.4862 -6.4862 -6.4859 -6.4859 2.4267 2.4267 2.4375 2.4375 2.5977 2.5977 2.6086 2.6086 3.1926 3.1926 3.1934 3.1934 4.1274 4.1274 4.1315 4.1315 4.3260 4.3260 4.3282 4.3282 4.4362 4.4362 4.4416 4.4416 5.9631 5.9631 5.9690 5.9690 6.3719 6.3719 6.3766 6.3766 8.0929 8.0929 8.0971 8.0971 9.6894 9.6894 9.6904 9.6904 11.0137 11.0137 k = 0.0523 0.0906 0.2191 ( 5156 PWs) bands (ev): -24.0299 -24.0299 -24.0299 -24.0299 -7.8324 -7.8324 -7.8319 -7.8319 -7.5507 -7.5507 -7.5502 -7.5502 -7.4212 -7.4212 -7.4210 -7.4210 -6.4913 -6.4913 -6.4911 -6.4911 2.4529 2.4529 2.4623 2.4623 2.5919 2.5919 2.6014 2.6014 3.1885 3.1885 3.1891 3.1891 4.1263 4.1263 4.1292 4.1292 4.3253 4.3253 4.3271 4.3271 4.4253 4.4253 4.4293 4.4293 6.0516 6.0516 6.0563 6.0563 6.4122 6.4122 6.4160 6.4160 8.0019 8.0019 8.0050 8.0050 9.6829 9.6829 9.6837 9.6837 11.0650 11.0650 k = 0.0458 0.0792 0.2191 ( 5160 PWs) bands (ev): -24.0302 -24.0302 -24.0302 -24.0302 -7.8345 -7.8345 -7.8342 -7.8342 -7.5494 -7.5494 -7.5491 -7.5491 -7.4189 -7.4189 -7.4187 -7.4187 -6.4959 -6.4959 -6.4958 -6.4958 2.4765 2.4765 2.4845 2.4845 2.5870 2.5870 2.5951 2.5951 3.1845 3.1845 3.1849 3.1849 4.1251 4.1251 4.1271 4.1271 4.3245 4.3245 4.3259 4.3259 4.4159 4.4159 4.4188 4.4188 6.1398 6.1398 6.1436 6.1436 6.4483 6.4483 6.4513 6.4513 7.9110 7.9110 7.9132 7.9132 9.6759 9.6759 9.6766 9.6766 11.1147 11.1150 k = 0.0392 0.0679 0.2191 ( 5164 PWs) bands (ev): -24.0304 -24.0304 -24.0304 -24.0304 -7.8364 -7.8364 -7.8363 -7.8363 -7.5482 -7.5482 -7.5480 -7.5480 -7.4168 -7.4168 -7.4167 -7.4167 -6.5000 -6.5000 -6.4999 -6.4999 2.4972 2.4972 2.5037 2.5037 2.5832 2.5832 2.5898 2.5898 3.1807 3.1807 3.1809 3.1809 4.1240 4.1240 4.1252 4.1252 4.3237 4.3237 4.3247 4.3247 4.4080 4.4080 4.4099 4.4099 6.2268 6.2268 6.2297 6.2297 6.4799 6.4799 6.4822 6.4822 7.8214 7.8214 7.8229 7.8229 9.6691 9.6691 9.6696 9.6696 11.1613 11.1614 k = 0.0327 0.0566 0.2191 ( 5164 PWs) bands (ev): -24.0306 -24.0306 -24.0306 -24.0306 -7.8382 -7.8382 -7.8381 -7.8381 -7.5472 -7.5472 -7.5471 -7.5471 -7.4150 -7.4150 -7.4149 -7.4149 -6.5035 -6.5035 -6.5034 -6.5034 2.5147 2.5147 2.5196 2.5196 2.5807 2.5807 2.5856 2.5856 3.1772 3.1772 3.1773 3.1773 4.1229 4.1229 4.1237 4.1237 4.3229 4.3229 4.3235 4.3235 4.4015 4.4015 4.4027 4.4027 6.3109 6.3109 6.3131 6.3131 6.5070 6.5070 6.5088 6.5088 7.7349 7.7349 7.7358 7.7358 9.6628 9.6628 9.6630 9.6630 11.2031 11.2032 k = 0.0261 0.0453 0.2191 ( 5160 PWs) bands (ev): -24.0308 -24.0308 -24.0308 -24.0308 -7.8396 -7.8396 -7.8395 -7.8395 -7.5464 -7.5464 -7.5463 -7.5463 -7.4134 -7.4134 -7.4134 -7.4134 -6.5063 -6.5063 -6.5063 -6.5063 2.5286 2.5286 2.5319 2.5319 2.5795 2.5795 2.5828 2.5828 3.1741 3.1741 3.1742 3.1742 4.1220 4.1220 4.1224 4.1224 4.3221 4.3221 4.3225 4.3225 4.3963 4.3963 4.3969 4.3969 6.3897 6.3897 6.3912 6.3912 6.5295 6.5295 6.5308 6.5308 7.6537 7.6537 7.6542 7.6542 9.6572 9.6572 9.6573 9.6573 11.2385 11.2387 k = 0.0196 0.0340 0.2191 ( 5152 PWs) bands (ev): -24.0309 -24.0309 -24.0309 -24.0309 -7.8407 -7.8407 -7.8407 -7.8407 -7.5457 -7.5457 -7.5457 -7.5457 -7.4122 -7.4122 -7.4122 -7.4122 -6.5086 -6.5086 -6.5086 -6.5086 2.5386 2.5386 2.5403 2.5403 2.5800 2.5800 2.5817 2.5817 3.1716 3.1716 3.1716 3.1716 4.1213 4.1213 4.1214 4.1214 4.3214 4.3214 4.3215 4.3215 4.3923 4.3923 4.3926 4.3926 6.4596 6.4596 6.4607 6.4607 6.5475 6.5475 6.5484 6.5484 7.5814 7.5814 7.5817 7.5817 9.6525 9.6525 9.6526 9.6526 11.2658 11.2664 k = 0.0131 0.0226 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8416 -7.8416 -7.8416 -7.8416 -7.5452 -7.5452 -7.5452 -7.5452 -7.4113 -7.4113 -7.4113 -7.4113 -6.5102 -6.5102 -6.5102 -6.5102 2.5447 2.5447 2.5453 2.5453 2.5814 2.5814 2.5820 2.5820 3.1697 3.1697 3.1697 3.1697 4.1207 4.1207 4.1207 4.1207 4.3208 4.3208 4.3208 4.3208 4.3896 4.3896 4.3896 4.3896 6.5154 6.5154 6.5159 6.5159 6.5616 6.5616 6.5622 6.5622 7.5228 7.5228 7.5229 7.5229 9.6491 9.6491 9.6491 9.6491 11.2829 11.2832 k = 0.0065 0.0113 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8421 -7.8421 -7.8421 -7.8421 -7.5449 -7.5449 -7.5449 -7.5449 -7.4108 -7.4108 -7.4108 -7.4108 -6.5111 -6.5111 -6.5111 -6.5111 2.5477 2.5477 2.5478 2.5478 2.5828 2.5828 2.5829 2.5829 3.1685 3.1685 3.1685 3.1685 4.1203 4.1203 4.1203 4.1203 4.3204 4.3204 4.3204 4.3204 4.3879 4.3879 4.3879 4.3879 6.5488 6.5488 6.5490 6.5490 6.5740 6.5740 6.5741 6.5741 7.4839 7.4839 7.4839 7.4839 9.6470 9.6470 9.6470 9.6470 11.2893 11.2894 k = 0.0000 0.0000 0.2191 ( 5150 PWs) bands (ev): -24.0310 -24.0310 -24.0310 -24.0310 -7.8422 -7.8422 -7.8422 -7.8422 -7.5448 -7.5448 -7.5448 -7.5448 -7.4106 -7.4106 -7.4106 -7.4106 -6.5115 -6.5115 -6.5115 -6.5115 2.5485 2.5485 2.5485 2.5485 2.5834 2.5834 2.5834 2.5834 3.1681 3.1681 3.1681 3.1681 4.1202 4.1202 4.1202 4.1202 4.3203 4.3203 4.3203 4.3203 4.3873 4.3873 4.3873 4.3873 6.5577 6.5577 6.5577 6.5577 6.5812 6.5812 6.5812 6.5812 7.4701 7.4701 7.4701 7.4701 9.6463 9.6463 9.6463 9.6463 11.2900 11.2900 k = 0.5000 0.2887 0.2191 ( 5120 PWs) bands (ev): -24.0169 -24.0169 -24.0169 -24.0169 -7.8335 -7.8335 -7.8335 -7.8335 -7.5631 -7.5631 -7.5631 -7.5631 -7.4561 -7.4561 -7.4561 -7.4561 -6.2380 -6.2380 -6.2380 -6.2380 1.3075 1.3075 1.3075 1.3075 3.0451 3.0451 3.0451 3.0451 3.2140 3.2140 3.2140 3.2140 4.1621 4.1621 4.1621 4.1621 4.2300 4.2300 4.2300 4.2300 4.3875 4.3875 4.3875 4.3875 4.9833 4.9833 4.9833 4.9833 5.2652 5.2652 5.2652 5.2652 8.4679 8.4679 8.4679 8.4679 8.9780 8.9780 8.9780 8.9780 12.2681 12.2681 k = 0.5000 0.2887 0.2062 ( 5112 PWs) bands (ev): -24.0170 -24.0170 -24.0168 -24.0168 -7.8378 -7.8378 -7.8292 -7.8292 -7.5647 -7.5647 -7.5614 -7.5614 -7.4576 -7.4576 -7.4546 -7.4546 -6.2482 -6.2482 -6.2278 -6.2278 1.2938 1.2938 1.3212 1.3212 3.0426 3.0426 3.0476 3.0476 3.2067 3.2067 3.2213 3.2213 4.1610 4.1610 4.1632 4.1632 4.2276 4.2276 4.2324 4.2324 4.3864 4.3864 4.3886 4.3886 4.9787 4.9787 4.9879 4.9879 5.2628 5.2628 5.2674 5.2674 8.4283 8.4283 8.5077 8.5077 8.9653 8.9653 8.9949 8.9949 12.2388 12.2388 k = 0.5000 0.2887 0.1933 ( 5112 PWs) bands (ev): -24.0171 -24.0171 -24.0168 -24.0168 -7.8422 -7.8422 -7.8250 -7.8250 -7.5662 -7.5662 -7.5597 -7.5597 -7.4591 -7.4591 -7.4529 -7.4529 -6.2585 -6.2585 -6.2178 -6.2178 1.2804 1.2804 1.3350 1.3350 3.0401 3.0401 3.0500 3.0500 3.1994 3.1994 3.2284 3.2284 4.1599 4.1599 4.1643 4.1643 4.2253 4.2253 4.2347 4.2347 4.3853 4.3853 4.3896 4.3896 4.9742 4.9742 4.9924 4.9924 5.2601 5.2601 5.2694 5.2694 8.3900 8.3900 8.5455 8.5455 8.9590 8.9590 9.0146 9.0146 12.1746 12.1746 k = 0.5000 0.2887 0.1804 ( 5120 PWs) bands (ev): -24.0171 -24.0171 -24.0167 -24.0167 -7.8466 -7.8466 -7.8209 -7.8209 -7.5677 -7.5677 -7.5579 -7.5579 -7.4604 -7.4604 -7.4512 -7.4512 -6.2686 -6.2686 -6.2081 -6.2081 1.2673 1.2673 1.3486 1.3486 3.0376 3.0376 3.0523 3.0523 3.1923 3.1923 3.2355 3.2355 4.1587 4.1587 4.1653 4.1653 4.2229 4.2229 4.2370 4.2370 4.3842 4.3842 4.3905 4.3905 4.9698 4.9698 4.9969 4.9969 5.2573 5.2573 5.2711 5.2711 8.3539 8.3539 8.5789 8.5789 8.9619 8.9619 9.0359 9.0359 12.0840 12.0840 k = 0.5000 0.2887 0.1675 ( 5124 PWs) bands (ev): -24.0172 -24.0172 -24.0167 -24.0167 -7.8508 -7.8508 -7.8170 -7.8170 -7.5690 -7.5690 -7.5560 -7.5560 -7.4617 -7.4617 -7.4494 -7.4494 -6.2786 -6.2786 -6.1987 -6.1987 1.2546 1.2546 1.3619 1.3619 3.0351 3.0351 3.0546 3.0546 3.1852 3.1852 3.2423 3.2423 4.1576 4.1576 4.1662 4.1662 4.2206 4.2206 4.2391 4.2391 4.3831 4.3831 4.3915 4.3915 4.9654 4.9654 5.0012 5.0012 5.2543 5.2543 5.2725 5.2725 8.3205 8.3205 8.6050 8.6050 8.9768 8.9768 9.0579 9.0579 11.9773 11.9773 k = 0.5000 0.2887 0.1546 ( 5116 PWs) bands (ev): -24.0172 -24.0172 -24.0166 -24.0166 -7.8550 -7.8550 -7.8133 -7.8133 -7.5702 -7.5702 -7.5542 -7.5542 -7.4628 -7.4628 -7.4476 -7.4476 -6.2884 -6.2884 -6.1897 -6.1897 1.2425 1.2425 1.3749 1.3749 3.0327 3.0327 3.0567 3.0567 3.1785 3.1785 3.2489 3.2489 4.1565 4.1565 4.1672 4.1672 4.2184 4.2184 4.2412 4.2412 4.3820 4.3820 4.3923 4.3923 4.9613 4.9613 5.0055 5.0055 5.2513 5.2513 5.2737 5.2737 8.2900 8.2900 8.6219 8.6219 9.0057 9.0057 9.0801 9.0801 11.8617 11.8617 k = 0.5000 0.2887 0.1418 ( 5114 PWs) bands (ev): -24.0173 -24.0173 -24.0165 -24.0165 -7.8590 -7.8590 -7.8099 -7.8099 -7.5713 -7.5713 -7.5524 -7.5524 -7.4638 -7.4638 -7.4458 -7.4458 -6.2978 -6.2978 -6.1812 -6.1812 1.2309 1.2309 1.3875 1.3875 3.0304 3.0304 3.0588 3.0588 3.1719 3.1719 3.2552 3.2552 4.1554 4.1554 4.1680 4.1680 4.2163 4.2163 4.2432 4.2432 4.3810 4.3810 4.3931 4.3931 4.9573 4.9573 5.0095 5.0095 5.2483 5.2483 5.2746 5.2746 8.2625 8.2625 8.6298 8.6298 9.0481 9.0481 9.1019 9.1019 11.7413 11.7413 k = 0.5000 0.2887 0.1289 ( 5120 PWs) bands (ev): -24.0174 -24.0174 -24.0165 -24.0165 -7.8628 -7.8628 -7.8067 -7.8067 -7.5723 -7.5723 -7.5506 -7.5506 -7.4647 -7.4647 -7.4441 -7.4441 -6.3067 -6.3067 -6.1732 -6.1732 1.2201 1.2201 1.3994 1.3994 3.0282 3.0282 3.0607 3.0607 3.1657 3.1657 3.2611 3.2611 4.1544 4.1544 4.1688 4.1688 4.2142 4.2142 4.2451 4.2451 4.3799 4.3799 4.3939 4.3939 4.9536 4.9536 5.0133 5.0133 5.2453 5.2453 5.2752 5.2752 8.2380 8.2380 8.6306 8.6306 9.1015 9.1015 9.1235 9.1235 11.6189 11.6189 k = 0.5000 0.2887 0.1160 ( 5108 PWs) bands (ev): -24.0174 -24.0174 -24.0164 -24.0164 -7.8663 -7.8663 -7.8037 -7.8037 -7.5732 -7.5732 -7.5489 -7.5489 -7.4655 -7.4655 -7.4423 -7.4423 -6.3152 -6.3152 -6.1658 -6.1658 1.2101 1.2101 1.4105 1.4105 3.0260 3.0260 3.0626 3.0626 3.1599 3.1599 3.2666 3.2666 4.1534 4.1534 4.1696 4.1696 4.2124 4.2124 4.2469 4.2469 4.3789 4.3789 4.3946 4.3946 4.9501 4.9501 5.0169 5.0169 5.2425 5.2425 5.2757 5.2757 8.2166 8.2166 8.6268 8.6268 9.1408 9.1408 9.1667 9.1667 11.4964 11.4964 k = 0.5000 0.2887 0.1031 ( 5098 PWs) bands (ev): -24.0174 -24.0174 -24.0164 -24.0164 -7.8696 -7.8696 -7.8011 -7.8011 -7.5740 -7.5740 -7.5473 -7.5473 -7.4662 -7.4662 -7.4407 -7.4407 -6.3230 -6.3230 -6.1590 -6.1590 1.2009 1.2009 1.4209 1.4209 3.0240 3.0240 3.0642 3.0642 3.1546 3.1546 3.2718 3.2718 4.1525 4.1525 4.1703 4.1703 4.2106 4.2106 4.2486 4.2486 4.3780 4.3780 4.3953 4.3953 4.9469 4.9469 5.0202 5.0202 5.2398 5.2398 5.2759 5.2759 8.1980 8.1980 8.6202 8.6202 9.1596 9.1596 9.2353 9.2353 11.3751 11.3751 k = 0.5000 0.2887 0.0902 ( 5102 PWs) bands (ev): -24.0175 -24.0175 -24.0163 -24.0163 -7.8725 -7.8725 -7.7988 -7.7988 -7.5747 -7.5747 -7.5459 -7.5459 -7.4668 -7.4668 -7.4391 -7.4391 -6.3301 -6.3301 -6.1529 -6.1529 1.1926 1.1926 1.4303 1.4303 3.0222 3.0222 3.0657 3.0657 3.1497 3.1497 3.2763 3.2763 4.1516 4.1516 4.1709 4.1709 4.2090 4.2090 4.2500 4.2500 4.3771 4.3771 4.3959 4.3959 4.9440 4.9440 5.0232 5.0232 5.2372 5.2372 5.2759 5.2759 8.1821 8.1821 8.6125 8.6125 9.1760 9.1760 9.3084 9.3084 11.2567 11.2567 k = 0.5000 0.2887 0.0773 ( 5098 PWs) bands (ev): -24.0175 -24.0175 -24.0163 -24.0163 -7.8752 -7.8752 -7.7967 -7.7967 -7.5753 -7.5753 -7.5446 -7.5446 -7.4673 -7.4673 -7.4377 -7.4377 -6.3364 -6.3364 -6.1475 -6.1475 1.1853 1.1853 1.4387 1.4387 3.0205 3.0205 3.0670 3.0670 3.1454 3.1454 3.2804 3.2804 4.1508 4.1508 4.1714 4.1714 4.2076 4.2076 4.2513 4.2513 4.3764 4.3764 4.3964 4.3964 4.9415 4.9415 5.0258 5.0258 5.2349 5.2349 5.2759 5.2759 8.1689 8.1689 8.6045 8.6045 9.1903 9.1903 9.3837 9.3837 11.1428 11.1428 k = 0.5000 0.2887 0.0644 ( 5106 PWs) bands (ev): -24.0176 -24.0176 -24.0163 -24.0163 -7.8775 -7.8775 -7.7950 -7.7950 -7.5758 -7.5758 -7.5434 -7.5434 -7.4677 -7.4677 -7.4365 -7.4365 -6.3419 -6.3419 -6.1429 -6.1429 1.1790 1.1790 1.4459 1.4459 3.0190 3.0190 3.0682 3.0682 3.1417 3.1417 3.2839 3.2839 4.1501 4.1501 4.1718 4.1718 4.2064 4.2064 4.2524 4.2524 4.3757 4.3757 4.3968 4.3968 4.9393 4.9393 5.0281 5.0281 5.2328 5.2328 5.2758 5.2758 8.1580 8.1580 8.5970 8.5970 9.2026 9.2026 9.4586 9.4586 11.0354 11.0354 k = 0.5000 0.2887 0.0515 ( 5104 PWs) bands (ev): -24.0176 -24.0176 -24.0162 -24.0162 -7.8794 -7.8794 -7.7936 -7.7936 -7.5762 -7.5762 -7.5424 -7.5424 -7.4680 -7.4680 -7.4354 -7.4354 -6.3465 -6.3465 -6.1391 -6.1391 1.1739 1.1739 1.4520 1.4520 3.0178 3.0178 3.0691 3.0691 3.1386 3.1386 3.2867 3.2867 4.1496 4.1496 4.1722 4.1722 4.2054 4.2054 4.2533 4.2533 4.3751 4.3751 4.3971 4.3971 4.9375 4.9375 5.0300 5.0300 5.2311 5.2311 5.2757 5.2757 8.1494 8.1494 8.5904 8.5904 9.2127 9.2127 9.5304 9.5304 10.9371 10.9371 k = 0.5000 0.2887 0.0387 ( 5114 PWs) bands (ev): -24.0176 -24.0176 -24.0162 -24.0162 -7.8809 -7.8809 -7.7925 -7.7925 -7.5765 -7.5765 -7.5417 -7.5417 -7.4683 -7.4683 -7.4346 -7.4346 -6.3501 -6.3501 -6.1361 -6.1361 1.1698 1.1698 1.4568 1.4568 3.0169 3.0169 3.0698 3.0698 3.1361 3.1361 3.2890 3.2890 4.1491 4.1491 4.1724 4.1724 4.2046 4.2046 4.2540 4.2540 4.3746 4.3746 4.3974 4.3974 4.9361 4.9361 5.0315 5.0315 5.2297 5.2297 5.2755 5.2755 8.1429 8.1429 8.5850 8.5850 9.2205 9.2205 9.5952 9.5952 10.8517 10.8517 k = 0.5000 0.2887 0.0258 ( 5114 PWs) bands (ev): -24.0176 -24.0176 -24.0162 -24.0162 -7.8819 -7.8819 -7.7917 -7.7917 -7.5767 -7.5767 -7.5411 -7.5411 -7.4684 -7.4684 -7.4339 -7.4339 -6.3527 -6.3527 -6.1340 -6.1340 1.1669 1.1669 1.4602 1.4602 3.0161 3.0161 3.0704 3.0704 3.1344 3.1344 3.2906 3.2906 4.1488 4.1488 4.1726 4.1726 4.2040 4.2040 4.2545 4.2545 4.3743 4.3743 4.3976 4.3976 4.9351 4.9351 5.0325 5.0325 5.2287 5.2287 5.2754 5.2754 8.1384 8.1384 8.5810 8.5810 9.2261 9.2261 9.6483 9.6483 10.7840 10.7840 k = 0.5000 0.2887 0.0129 ( 5120 PWs) bands (ev): -24.0176 -24.0176 -24.0162 -24.0162 -7.8826 -7.8826 -7.7913 -7.7913 -7.5768 -7.5768 -7.5408 -7.5408 -7.4686 -7.4686 -7.4336 -7.4336 -6.3543 -6.3543 -6.1327 -6.1327 1.1651 1.1651 1.4623 1.4623 3.0157 3.0157 3.0707 3.0707 3.1333 3.1333 3.2916 3.2916 4.1485 4.1485 4.1727 4.1727 4.2037 4.2037 4.2548 4.2548 4.3741 4.3741 4.3977 4.3977 4.9344 4.9344 5.0332 5.0332 5.2280 5.2280 5.2753 5.2753 8.1357 8.1357 8.5786 8.5786 9.2295 9.2295 9.6837 9.6837 10.7398 10.7398 k = 0.5000 0.2887-0.0000 ( 5126 PWs) bands (ev): -24.0177 -24.0177 -24.0162 -24.0162 -7.8828 -7.8828 -7.7911 -7.7911 -7.5769 -7.5769 -7.5407 -7.5407 -7.4686 -7.4686 -7.4335 -7.4335 -6.3548 -6.3548 -6.1322 -6.1322 1.1645 1.1645 1.4630 1.4630 3.0156 3.0156 3.0708 3.0708 3.1329 3.1329 3.2919 3.2919 4.1485 4.1485 4.1727 4.1727 4.2035 4.2035 4.2548 4.2548 4.3740 4.3740 4.3977 4.3977 4.9342 4.9342 5.0334 5.0334 5.2278 5.2278 5.2753 5.2753 8.1348 8.1348 8.5777 8.5777 9.2306 9.2306 9.6962 9.6962 10.7244 10.7244 k = 0.3333 0.5774-0.0000 ( 5124 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8325 -7.8325 -7.7833 -7.7833 -7.6288 -7.6288 -7.5448 -7.5448 -7.4883 -7.4883 -7.4554 -7.4554 -6.1991 -6.1991 -6.1910 -6.1910 1.4864 1.4864 1.6195 1.6195 2.4214 2.4214 2.8007 2.8007 3.1946 3.1946 3.2446 3.2446 3.9758 3.9758 4.0598 4.0598 4.1849 4.1849 4.1907 4.1907 4.3009 4.3009 4.3688 4.3688 4.4606 4.4606 4.6275 4.6275 5.3794 5.3794 5.4432 5.4432 8.7425 8.7425 8.7506 8.7506 10.3303 10.3303 10.4057 10.4057 11.6578 11.6578 k = 0.3333 0.5774 0.0129 ( 5124 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8325 -7.8325 -7.7833 -7.7833 -7.6288 -7.6288 -7.5449 -7.5449 -7.4882 -7.4882 -7.4555 -7.4555 -6.1991 -6.1991 -6.1910 -6.1910 1.4864 1.4864 1.6195 1.6195 2.4220 2.4220 2.8000 2.8000 3.1946 3.1946 3.2446 3.2446 3.9757 3.9757 4.0600 4.0600 4.1841 4.1841 4.1915 4.1915 4.3009 4.3009 4.3688 4.3688 4.4607 4.4607 4.6275 4.6275 5.3796 5.3796 5.4434 5.4434 8.7407 8.7407 8.7488 8.7488 10.3340 10.3340 10.4097 10.4097 11.6606 11.6606 k = 0.3333 0.5774 0.0258 ( 5136 PWs) bands (ev): -24.0159 -24.0159 -24.0145 -24.0145 -7.8324 -7.8324 -7.7833 -7.7833 -7.6286 -7.6286 -7.5451 -7.5451 -7.4881 -7.4881 -7.4557 -7.4557 -6.1991 -6.1991 -6.1910 -6.1910 1.4864 1.4864 1.6195 1.6195 2.4239 2.4239 2.7979 2.7979 3.1945 3.1945 3.2444 3.2444 3.9754 3.9754 4.0604 4.0604 4.1821 4.1821 4.1931 4.1931 4.3010 4.3010 4.3689 4.3689 4.4606 4.4606 4.6275 4.6275 5.3800 5.3800 5.4438 5.4438 8.7353 8.7353 8.7435 8.7435 10.3450 10.3450 10.4213 10.4213 11.6690 11.6690 k = 0.3333 0.5774 0.0387 ( 5139 PWs) bands (ev): -24.0158 -24.0158 -24.0145 -24.0145 -7.8322 -7.8322 -7.7834 -7.7834 -7.6283 -7.6283 -7.5454 -7.5454 -7.4879 -7.4879 -7.4561 -7.4561 -6.1990 -6.1990 -6.1909 -6.1909 1.4864 1.4864 1.6195 1.6195 2.4269 2.4269 2.7945 2.7945 3.1943 3.1943 3.2443 3.2443 3.9749 3.9749 4.0613 4.0613 4.1797 4.1797 4.1950 4.1950 4.3010 4.3010 4.3689 4.3689 4.4606 4.4606 4.6274 4.6274 5.3808 5.3808 5.4446 5.4446 8.7266 8.7266 8.7349 8.7349 10.3629 10.3629 10.4403 10.4403 11.6831 11.6831 k = 0.3333 0.5774 0.0515 ( 5148 PWs) bands (ev): -24.0158 -24.0158 -24.0146 -24.0146 -7.8321 -7.8321 -7.7834 -7.7834 -7.6279 -7.6279 -7.5459 -7.5459 -7.4876 -7.4876 -7.4566 -7.4566 -6.1990 -6.1990 -6.1909 -6.1909 1.4864 1.4864 1.6195 1.6195 2.4312 2.4312 2.7899 2.7899 3.1942 3.1942 3.2440 3.2440 3.9743 3.9743 4.0625 4.0625 4.1772 4.1772 4.1968 4.1968 4.3009 4.3009 4.3689 4.3689 4.4606 4.4606 4.6274 4.6274 5.3819 5.3819 5.4457 5.4457 8.7151 8.7151 8.7236 8.7236 10.3872 10.3872 10.4662 10.4662 11.7026 11.7026 k = 0.3333 0.5774 0.0644 ( 5139 PWs) bands (ev): -24.0158 -24.0158 -24.0146 -24.0146 -7.8318 -7.8318 -7.7835 -7.7835 -7.6274 -7.6274 -7.5465 -7.5465 -7.4871 -7.4871 -7.4572 -7.4572 -6.1989 -6.1989 -6.1908 -6.1908 1.4864 1.4864 1.6195 1.6195 2.4365 2.4365 2.7840 2.7840 3.1940 3.1940 3.2438 3.2438 3.9736 3.9736 4.0640 4.0640 4.1747 4.1747 4.1986 4.1986 4.3009 4.3009 4.3690 4.3690 4.4607 4.4607 4.6274 4.6274 5.3832 5.3832 5.4471 5.4471 8.7012 8.7012 8.7100 8.7100 10.4172 10.4172 10.4983 10.4983 11.7277 11.7277 k = 0.3333 0.5774 0.0773 ( 5139 PWs) bands (ev): -24.0158 -24.0158 -24.0146 -24.0146 -7.8316 -7.8316 -7.7836 -7.7836 -7.6268 -7.6268 -7.5471 -7.5471 -7.4866 -7.4866 -7.4580 -7.4580 -6.1989 -6.1989 -6.1908 -6.1908 1.4864 1.4864 1.6195 1.6195 2.4429 2.4429 2.7770 2.7770 3.1938 3.1938 3.2435 3.2435 3.9728 3.9728 4.0656 4.0656 4.1721 4.1721 4.2003 4.2003 4.3009 4.3009 4.3690 4.3690 4.4607 4.4607 4.6274 4.6274 5.3848 5.3848 5.4486 5.4486 8.6857 8.6857 8.6947 8.6947 10.4520 10.4520 10.5356 10.5356 11.7581 11.7581 k = 0.3333 0.5774 0.0902 ( 5130 PWs) bands (ev): -24.0158 -24.0158 -24.0146 -24.0146 -7.8313 -7.8313 -7.7837 -7.7837 -7.6261 -7.6261 -7.5478 -7.5478 -7.4860 -7.4860 -7.4588 -7.4588 -6.1988 -6.1988 -6.1907 -6.1907 1.4864 1.4864 1.6195 1.6195 2.4502 2.4502 2.7690 2.7690 3.1936 3.1936 3.2432 3.2432 3.9720 3.9720 4.0675 4.0675 4.1695 4.1695 4.2019 4.2019 4.3009 4.3009 4.3691 4.3691 4.4608 4.4608 4.6274 4.6274 5.3865 5.3865 5.4504 5.4504 8.6690 8.6690 8.6784 8.6784 10.4907 10.4907 10.5774 10.5774 11.7938 11.7938 k = 0.3333 0.5774 0.1031 ( 5127 PWs) bands (ev): -24.0157 -24.0157 -24.0146 -24.0146 -7.8310 -7.8310 -7.7838 -7.7838 -7.6254 -7.6254 -7.5486 -7.5486 -7.4854 -7.4854 -7.4598 -7.4598 -6.1988 -6.1988 -6.1906 -6.1906 1.4864 1.4864 1.6195 1.6195 2.4583 2.4583 2.7602 2.7602 3.1933 3.1933 3.2429 3.2429 3.9711 3.9711 4.0694 4.0694 4.1670 4.1670 4.2033 4.2033 4.3009 4.3009 4.3692 4.3692 4.4608 4.4608 4.6274 4.6274 5.3882 5.3882 5.4522 5.4522 8.6520 8.6520 8.6617 8.6617 10.5324 10.5324 10.6226 10.6226 11.8346 11.8346 k = 0.3333 0.5774 0.1160 ( 5115 PWs) bands (ev): -24.0157 -24.0157 -24.0147 -24.0147 -7.8306 -7.8306 -7.7839 -7.7839 -7.6246 -7.6246 -7.5494 -7.5494 -7.4846 -7.4846 -7.4608 -7.4608 -6.1987 -6.1987 -6.1905 -6.1905 1.4863 1.4863 1.6195 1.6195 2.4670 2.4670 2.7507 2.7507 3.1931 3.1931 3.2426 3.2426 3.9703 3.9703 4.0715 4.0715 4.1646 4.1646 4.2046 4.2046 4.3009 4.3009 4.3693 4.3693 4.4609 4.4609 4.6274 4.6274 5.3901 5.3901 5.4540 5.4540 8.6350 8.6350 8.6451 8.6451 10.5758 10.5758 10.6701 10.6701 11.8804 11.8804 k = 0.3333 0.5774 0.1289 ( 5118 PWs) bands (ev): -24.0156 -24.0156 -24.0147 -24.0147 -7.8303 -7.8303 -7.7840 -7.7840 -7.6239 -7.6239 -7.5502 -7.5502 -7.4838 -7.4838 -7.4618 -7.4618 -6.1987 -6.1987 -6.1904 -6.1904 1.4863 1.4863 1.6195 1.6195 2.4763 2.4763 2.7407 2.7407 3.1929 3.1929 3.2422 3.2422 3.9695 3.9695 4.0734 4.0734 4.1622 4.1622 4.2058 4.2058 4.3008 4.3008 4.3693 4.3693 4.4609 4.4609 4.6274 4.6274 5.3919 5.3919 5.4558 5.4558 8.6188 8.6188 8.6292 8.6292 10.6198 10.6198 10.7186 10.7186 11.9309 11.9309 k = 0.3333 0.5774 0.1418 ( 5112 PWs) bands (ev): -24.0155 -24.0155 -24.0148 -24.0148 -7.8300 -7.8300 -7.7841 -7.7841 -7.6232 -7.6232 -7.5510 -7.5510 -7.4830 -7.4830 -7.4629 -7.4629 -6.1986 -6.1986 -6.1904 -6.1904 1.4863 1.4863 1.6195 1.6195 2.4857 2.4857 2.7306 2.7306 3.1926 3.1926 3.2419 3.2419 3.9687 3.9687 4.0753 4.0753 4.1600 4.1600 4.2068 4.2068 4.3008 4.3008 4.3694 4.3694 4.4610 4.4610 4.6274 4.6274 5.3936 5.3936 5.4576 5.4576 8.6038 8.6038 8.6145 8.6145 10.6631 10.6631 10.7669 10.7669 11.9859 11.9859 k = 0.3333 0.5774 0.1546 ( 5118 PWs) bands (ev): -24.0155 -24.0155 -24.0149 -24.0149 -7.8297 -7.8297 -7.7842 -7.7842 -7.6225 -7.6225 -7.5518 -7.5518 -7.4822 -7.4822 -7.4640 -7.4640 -6.1986 -6.1986 -6.1903 -6.1903 1.4863 1.4863 1.6195 1.6195 2.4951 2.4951 2.7206 2.7206 3.1924 3.1924 3.2416 3.2416 3.9681 3.9681 4.0771 4.0771 4.1580 4.1580 4.2076 4.2076 4.3007 4.3007 4.3694 4.3694 4.4610 4.4610 4.6274 4.6274 5.3951 5.3951 5.4592 5.4592 8.5903 8.5903 8.6013 8.6013 10.7041 10.7041 10.8132 10.8132 12.0227 12.0227 k = 0.3333 0.5774 0.1675 ( 5118 PWs) bands (ev): -24.0154 -24.0154 -24.0149 -24.0149 -7.8295 -7.8295 -7.7843 -7.7843 -7.6219 -7.6219 -7.5524 -7.5524 -7.4813 -7.4813 -7.4651 -7.4651 -6.1985 -6.1985 -6.1902 -6.1902 1.4863 1.4863 1.6195 1.6195 2.5039 2.5039 2.7112 2.7112 3.1922 3.1922 3.2414 3.2414 3.9675 3.9675 4.0787 4.0787 4.1563 4.1563 4.2083 4.2083 4.3007 4.3007 4.3694 4.3694 4.4610 4.4610 4.6274 4.6274 5.3965 5.3965 5.4605 5.4605 8.5789 8.5789 8.5901 8.5901 10.7413 10.7413 10.8558 10.8558 11.9825 11.9825 k = 0.3333 0.5774 0.1804 ( 5103 PWs) bands (ev): -24.0154 -24.0154 -24.0150 -24.0150 -7.8293 -7.8293 -7.7844 -7.7844 -7.6214 -7.6214 -7.5529 -7.5529 -7.4805 -7.4805 -7.4660 -7.4660 -6.1985 -6.1985 -6.1902 -6.1902 1.4863 1.4863 1.6195 1.6195 2.5118 2.5118 2.7029 2.7029 3.1921 3.1921 3.2412 3.2412 3.9671 3.9671 4.0800 4.0800 4.1550 4.1550 4.2089 4.2089 4.3007 4.3007 4.3695 4.3695 4.4611 4.4611 4.6274 4.6274 5.3976 5.3976 5.4617 5.4617 8.5696 8.5696 8.5811 8.5811 10.7729 10.7729 10.8925 10.8925 11.9486 11.9486 k = 0.3333 0.5774 0.1933 ( 5091 PWs) bands (ev): -24.0153 -24.0153 -24.0150 -24.0150 -7.8291 -7.8291 -7.7844 -7.7844 -7.6210 -7.6210 -7.5533 -7.5533 -7.4799 -7.4799 -7.4668 -7.4668 -6.1984 -6.1984 -6.1901 -6.1901 1.4863 1.4863 1.6195 1.6195 2.5181 2.5181 2.6963 2.6963 3.1920 3.1920 3.2411 3.2411 3.9668 3.9668 4.0810 4.0810 4.1539 4.1539 4.2093 4.2093 4.3007 4.3007 4.3696 4.3696 4.4611 4.4611 4.6274 4.6274 5.3985 5.3985 5.4625 5.4625 8.5629 8.5629 8.5745 8.5745 10.7972 10.7972 10.9211 10.9211 11.9227 11.9227 k = 0.3333 0.5774 0.2062 ( 5097 PWs) bands (ev): -24.0152 -24.0152 -24.0151 -24.0151 -7.8290 -7.8290 -7.7844 -7.7844 -7.6208 -7.6208 -7.5536 -7.5536 -7.4794 -7.4794 -7.4673 -7.4673 -6.1984 -6.1984 -6.1901 -6.1901 1.4863 1.4863 1.6195 1.6195 2.5222 2.5222 2.6920 2.6920 3.1919 3.1919 3.2410 3.2410 3.9666 3.9666 4.0816 4.0816 4.1533 4.1533 4.2095 4.2095 4.3007 4.3007 4.3696 4.3696 4.4611 4.4611 4.6274 4.6274 5.3990 5.3990 5.4630 5.4630 8.5588 8.5588 8.5705 8.5705 10.8125 10.8125 10.9394 10.9394 11.9034 11.9034 k = 0.3333 0.5774 0.2191 ( 5094 PWs) bands (ev): -24.0151 -24.0151 -24.0151 -24.0151 -7.8290 -7.8290 -7.7845 -7.7845 -7.6207 -7.6207 -7.5537 -7.5537 -7.4793 -7.4793 -7.4675 -7.4675 -6.1984 -6.1984 -6.1901 -6.1901 1.4863 1.4863 1.6195 1.6195 2.5236 2.5236 2.6905 2.6905 3.1919 3.1919 3.2410 3.2410 3.9665 3.9665 4.0818 4.0818 4.1531 4.1531 4.2096 4.2096 4.3007 4.3007 4.3696 4.3696 4.4611 4.4611 4.6274 4.6274 5.3992 5.3992 5.4632 5.4632 8.5574 8.5574 8.5691 8.5691 10.8177 10.8177 10.9457 10.9457 11.8967 11.8968 Writing output data file KCuSe.save init_run : 0.80s CPU 1.05s WALL ( 1 calls) electrons : 226.91s CPU 230.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 226.90s CPU 230.37s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 302 calls) cegterg : 210.30s CPU 212.87s WALL ( 586 calls) Called by sum_band: Called by *egterg: h_psi : 106.53s CPU 108.21s WALL ( 9787 calls) s_psi : 7.35s CPU 7.59s WALL ( 9787 calls) g_psi : 0.27s CPU 0.33s WALL ( 8899 calls) cdiaghg : 83.40s CPU 84.57s WALL ( 9201 calls) cegterg:over : 9.38s CPU 9.35s WALL ( 8899 calls) cegterg:upda : 9.08s CPU 8.93s WALL ( 8899 calls) cegterg:last : 4.00s CPU 3.87s WALL ( 1190 calls) cdiaghg:chol : 4.84s CPU 4.79s WALL ( 9201 calls) cdiaghg:inve : 3.17s CPU 3.39s WALL ( 9201 calls) cdiaghg:para : 5.70s CPU 5.40s WALL ( 18402 calls) Called by h_psi: h_psi:vloc : 89.43s CPU 90.93s WALL ( 9787 calls) h_psi:vnl : 16.79s CPU 16.95s WALL ( 9787 calls) add_vuspsi : 8.84s CPU 8.92s WALL ( 9787 calls) General routines calbec : 7.93s CPU 8.00s WALL ( 9787 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 83.83s CPU 84.99s WALL ( 930724 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.25s WALL ( 604 calls) Parallel routines fft_scatter : 28.01s CPU 28.88s WALL ( 930747 calls) PWSCF : 4m 7.15s CPU 4m22.70s WALL This run was terminated on: 17:50:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=