Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 6:42 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: ./TePd.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 27 8 3408 960 151 Max 66 28 10 3411 988 154 Sum 2335 1003 295 122749 34991 5495 bravais-lattice index = 14 lattice parameter (alat) = 7.8463 a.u. unit-cell volume = 571.4672 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.846331 celldm(2)= 1.000000 celldm(3)= 1.366032 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.366032 ) 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 0.732047 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Te 6.00 127.60000 Te( 1.00) Pd 18.00 106.42000 Pd( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6830158 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6830158 ) 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= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0029851 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0029851 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0029851 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0029851 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0029851 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0029851 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0029851 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0029851 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0029851 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0029851 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0029851 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0029851 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0029851 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0029851 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0029851 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0029851 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0029851 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0029851 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0029851 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0029851 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0029851 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0029851 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0029851 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0029851 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0029851 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0029851 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0029851 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0029851 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0029851 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0029851 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0029851 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0029851 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0029851 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0029851 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0029851 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0029851 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0029851 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0029851 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0029851 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0029851 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0029851 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0029851 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029851 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029851 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029851 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029851 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029851 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029851 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029851 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029851 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029851 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029851 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029851 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029851 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029851 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029851 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029851 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029851 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029851 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029851 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029851 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029851 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029851 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029851 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029851 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029851 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029851 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029851 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029851 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0029851 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0029851 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0029851 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0029851 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0029851 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0029851 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0029851 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0029851 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0029851 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0029851 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0029851 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0029851 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0029851 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0029851 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0029851 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0029851 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029851 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0029851 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0029851 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0029851 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0029851 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0029851 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0029851 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0029851 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0029851 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0029851 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0029851 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0029851 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0029851 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0029851 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0029851 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0029851 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0029851 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029851 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0029851 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0029851 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0029851 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0029851 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0029851 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0029851 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0029851 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0029851 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0029851 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0029851 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0029851 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0029851 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0029851 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0029851 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0029851 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0029851 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 126) = ( 0.0000000 0.0000000 0.0130723), wk = 0.0029851 k( 127) = ( 0.0000000 0.0000000 0.0261446), wk = 0.0029851 k( 128) = ( 0.0000000 0.0000000 0.0392168), wk = 0.0029851 k( 129) = ( 0.0000000 0.0000000 0.0522891), wk = 0.0029851 k( 130) = ( 0.0000000 0.0000000 0.0653614), wk = 0.0029851 k( 131) = ( 0.0000000 0.0000000 0.0784337), wk = 0.0029851 k( 132) = ( 0.0000000 0.0000000 0.0915059), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.1045782), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.1176505), wk = 0.0029851 k( 135) = ( 0.0000000 0.0000000 0.1307228), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.1437950), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.1568673), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.1699396), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.1830119), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.1960841), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.2091564), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.2222287), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.2353010), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.2483732), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.2614455), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.2745178), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.2875901), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.3006624), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.3137346), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.3268069), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.3398792), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.3529515), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.3660237), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.3660237), wk = 0.0029851 k( 155) = ( 0.0113636 0.0065608 0.3660237), wk = 0.0029851 k( 156) = ( 0.0227273 0.0131216 0.3660237), wk = 0.0029851 k( 157) = ( 0.0340909 0.0196824 0.3660237), wk = 0.0029851 k( 158) = ( 0.0454546 0.0262432 0.3660237), wk = 0.0029851 k( 159) = ( 0.0568182 0.0328040 0.3660237), wk = 0.0029851 k( 160) = ( 0.0681818 0.0393648 0.3660237), wk = 0.0029851 k( 161) = ( 0.0795455 0.0459256 0.3660237), wk = 0.0029851 k( 162) = ( 0.0909091 0.0524864 0.3660237), wk = 0.0029851 k( 163) = ( 0.1022727 0.0590472 0.3660237), wk = 0.0029851 k( 164) = ( 0.1136364 0.0656080 0.3660237), wk = 0.0029851 k( 165) = ( 0.1250000 0.0721688 0.3660237), wk = 0.0029851 k( 166) = ( 0.1363636 0.0787296 0.3660237), wk = 0.0029851 k( 167) = ( 0.1477273 0.0852904 0.3660237), wk = 0.0029851 k( 168) = ( 0.1590909 0.0918512 0.3660237), wk = 0.0029851 k( 169) = ( 0.1704546 0.0984120 0.3660237), wk = 0.0029851 k( 170) = ( 0.1818182 0.1049728 0.3660237), wk = 0.0029851 k( 171) = ( 0.1931818 0.1115336 0.3660237), wk = 0.0029851 k( 172) = ( 0.2045454 0.1180944 0.3660237), wk = 0.0029851 k( 173) = ( 0.2159091 0.1246552 0.3660237), wk = 0.0029851 k( 174) = ( 0.2272727 0.1312160 0.3660237), wk = 0.0029851 k( 175) = ( 0.2386364 0.1377768 0.3660237), wk = 0.0029851 k( 176) = ( 0.2500000 0.1443376 0.3660237), wk = 0.0029851 k( 177) = ( 0.2613636 0.1508984 0.3660237), wk = 0.0029851 k( 178) = ( 0.2727273 0.1574592 0.3660237), wk = 0.0029851 k( 179) = ( 0.2840909 0.1640200 0.3660237), wk = 0.0029851 k( 180) = ( 0.2954545 0.1705808 0.3660237), wk = 0.0029851 k( 181) = ( 0.3068182 0.1771416 0.3660237), wk = 0.0029851 k( 182) = ( 0.3181818 0.1837024 0.3660237), wk = 0.0029851 k( 183) = ( 0.3295455 0.1902632 0.3660237), wk = 0.0029851 k( 184) = ( 0.3409091 0.1968240 0.3660237), wk = 0.0029851 k( 185) = ( 0.3522727 0.2033848 0.3660237), wk = 0.0029851 k( 186) = ( 0.3636364 0.2099456 0.3660237), wk = 0.0029851 k( 187) = ( 0.3750000 0.2165064 0.3660237), wk = 0.0029851 k( 188) = ( 0.3863636 0.2230672 0.3660237), wk = 0.0029851 k( 189) = ( 0.3977273 0.2296279 0.3660237), wk = 0.0029851 k( 190) = ( 0.4090909 0.2361887 0.3660237), wk = 0.0029851 k( 191) = ( 0.4204545 0.2427495 0.3660237), wk = 0.0029851 k( 192) = ( 0.4318182 0.2493103 0.3660237), wk = 0.0029851 k( 193) = ( 0.4431818 0.2558711 0.3660237), wk = 0.0029851 k( 194) = ( 0.4545455 0.2624319 0.3660237), wk = 0.0029851 k( 195) = ( 0.4659091 0.2689927 0.3660237), wk = 0.0029851 k( 196) = ( 0.4772727 0.2755535 0.3660237), wk = 0.0029851 k( 197) = ( 0.4886364 0.2821143 0.3660237), wk = 0.0029851 k( 198) = ( 0.5000000 0.2886751 0.3660237), wk = 0.0029851 k( 199) = ( 0.5000000 0.2886751 0.3660237), wk = 0.0029851 k( 200) = ( 0.4935897 0.2997780 0.3660237), wk = 0.0029851 k( 201) = ( 0.4871795 0.3108809 0.3660237), wk = 0.0029851 k( 202) = ( 0.4807692 0.3219838 0.3660237), wk = 0.0029851 k( 203) = ( 0.4743590 0.3330867 0.3660237), wk = 0.0029851 k( 204) = ( 0.4679487 0.3441896 0.3660237), wk = 0.0029851 k( 205) = ( 0.4615385 0.3552925 0.3660237), wk = 0.0029851 k( 206) = ( 0.4551282 0.3663954 0.3660237), wk = 0.0029851 k( 207) = ( 0.4487179 0.3774983 0.3660237), wk = 0.0029851 k( 208) = ( 0.4423077 0.3886011 0.3660237), wk = 0.0029851 k( 209) = ( 0.4358974 0.3997040 0.3660237), wk = 0.0029851 k( 210) = ( 0.4294872 0.4108069 0.3660237), wk = 0.0029851 k( 211) = ( 0.4230769 0.4219098 0.3660237), wk = 0.0029851 k( 212) = ( 0.4166667 0.4330127 0.3660237), wk = 0.0029851 k( 213) = ( 0.4102564 0.4441156 0.3660237), wk = 0.0029851 k( 214) = ( 0.4038462 0.4552185 0.3660237), wk = 0.0029851 k( 215) = ( 0.3974359 0.4663214 0.3660237), wk = 0.0029851 k( 216) = ( 0.3910256 0.4774243 0.3660237), wk = 0.0029851 k( 217) = ( 0.3846154 0.4885271 0.3660237), wk = 0.0029851 k( 218) = ( 0.3782051 0.4996300 0.3660237), wk = 0.0029851 k( 219) = ( 0.3717949 0.5107329 0.3660237), wk = 0.0029851 k( 220) = ( 0.3653846 0.5218358 0.3660237), wk = 0.0029851 k( 221) = ( 0.3589744 0.5329387 0.3660237), wk = 0.0029851 k( 222) = ( 0.3525641 0.5440416 0.3660237), wk = 0.0029851 k( 223) = ( 0.3461538 0.5551445 0.3660237), wk = 0.0029851 k( 224) = ( 0.3397436 0.5662474 0.3660237), wk = 0.0029851 k( 225) = ( 0.3333333 0.5773503 0.3660237), wk = 0.0029851 k( 226) = ( 0.3333333 0.5773503 0.3660237), wk = 0.0029851 k( 227) = ( 0.3267974 0.5660297 0.3660237), wk = 0.0029851 k( 228) = ( 0.3202614 0.5547091 0.3660237), wk = 0.0029851 k( 229) = ( 0.3137255 0.5433885 0.3660237), wk = 0.0029851 k( 230) = ( 0.3071895 0.5320679 0.3660237), wk = 0.0029851 k( 231) = ( 0.3006536 0.5207473 0.3660237), wk = 0.0029851 k( 232) = ( 0.2941177 0.5094267 0.3660237), wk = 0.0029851 k( 233) = ( 0.2875817 0.4981061 0.3660237), wk = 0.0029851 k( 234) = ( 0.2810457 0.4867855 0.3660237), wk = 0.0029851 k( 235) = ( 0.2745098 0.4754649 0.3660237), wk = 0.0029851 k( 236) = ( 0.2679739 0.4641443 0.3660237), wk = 0.0029851 k( 237) = ( 0.2614379 0.4528237 0.3660237), wk = 0.0029851 k( 238) = ( 0.2549020 0.4415031 0.3660237), wk = 0.0029851 k( 239) = ( 0.2483660 0.4301825 0.3660237), wk = 0.0029851 k( 240) = ( 0.2418301 0.4188620 0.3660237), wk = 0.0029851 k( 241) = ( 0.2352941 0.4075414 0.3660237), wk = 0.0029851 k( 242) = ( 0.2287582 0.3962208 0.3660237), wk = 0.0029851 k( 243) = ( 0.2222222 0.3849002 0.3660237), wk = 0.0029851 k( 244) = ( 0.2156863 0.3735796 0.3660237), wk = 0.0029851 k( 245) = ( 0.2091503 0.3622590 0.3660237), wk = 0.0029851 k( 246) = ( 0.2026144 0.3509384 0.3660237), wk = 0.0029851 k( 247) = ( 0.1960784 0.3396178 0.3660237), wk = 0.0029851 k( 248) = ( 0.1895425 0.3282972 0.3660237), wk = 0.0029851 k( 249) = ( 0.1830065 0.3169766 0.3660237), wk = 0.0029851 k( 250) = ( 0.1764706 0.3056560 0.3660237), wk = 0.0029851 k( 251) = ( 0.1699346 0.2943354 0.3660237), wk = 0.0029851 k( 252) = ( 0.1633987 0.2830148 0.3660237), wk = 0.0029851 k( 253) = ( 0.1568627 0.2716943 0.3660237), wk = 0.0029851 k( 254) = ( 0.1503268 0.2603737 0.3660237), wk = 0.0029851 k( 255) = ( 0.1437908 0.2490531 0.3660237), wk = 0.0029851 k( 256) = ( 0.1372549 0.2377325 0.3660237), wk = 0.0029851 k( 257) = ( 0.1307190 0.2264119 0.3660237), wk = 0.0029851 k( 258) = ( 0.1241830 0.2150913 0.3660237), wk = 0.0029851 k( 259) = ( 0.1176471 0.2037707 0.3660237), wk = 0.0029851 k( 260) = ( 0.1111111 0.1924501 0.3660237), wk = 0.0029851 k( 261) = ( 0.1045752 0.1811295 0.3660237), wk = 0.0029851 k( 262) = ( 0.0980392 0.1698089 0.3660237), wk = 0.0029851 k( 263) = ( 0.0915033 0.1584883 0.3660237), wk = 0.0029851 k( 264) = ( 0.0849673 0.1471677 0.3660237), wk = 0.0029851 k( 265) = ( 0.0784314 0.1358471 0.3660237), wk = 0.0029851 k( 266) = ( 0.0718954 0.1245265 0.3660237), wk = 0.0029851 k( 267) = ( 0.0653595 0.1132059 0.3660237), wk = 0.0029851 k( 268) = ( 0.0588235 0.1018853 0.3660237), wk = 0.0029851 k( 269) = ( 0.0522876 0.0905647 0.3660237), wk = 0.0029851 k( 270) = ( 0.0457516 0.0792441 0.3660237), wk = 0.0029851 k( 271) = ( 0.0392157 0.0679236 0.3660237), wk = 0.0029851 k( 272) = ( 0.0326797 0.0566030 0.3660237), wk = 0.0029851 k( 273) = ( 0.0261438 0.0452824 0.3660237), wk = 0.0029851 k( 274) = ( 0.0196078 0.0339618 0.3660237), wk = 0.0029851 k( 275) = ( 0.0130719 0.0226412 0.3660237), wk = 0.0029851 k( 276) = ( 0.0065359 0.0113206 0.3660237), wk = 0.0029851 k( 277) = ( 0.0000000 0.0000000 0.3660237), wk = 0.0029851 k( 278) = ( 0.5000000 0.2886751 0.3660237), wk = 0.0029851 k( 279) = ( 0.5000000 0.2886751 0.3529515), wk = 0.0029851 k( 280) = ( 0.5000000 0.2886751 0.3398792), wk = 0.0029851 k( 281) = ( 0.5000000 0.2886751 0.3268069), wk = 0.0029851 k( 282) = ( 0.5000000 0.2886751 0.3137346), wk = 0.0029851 k( 283) = ( 0.5000000 0.2886751 0.3006624), wk = 0.0029851 k( 284) = ( 0.5000000 0.2886751 0.2875901), wk = 0.0029851 k( 285) = ( 0.5000000 0.2886751 0.2745178), wk = 0.0029851 k( 286) = ( 0.5000000 0.2886751 0.2614455), wk = 0.0029851 k( 287) = ( 0.5000000 0.2886751 0.2483732), wk = 0.0029851 k( 288) = ( 0.5000000 0.2886751 0.2353010), wk = 0.0029851 k( 289) = ( 0.5000000 0.2886751 0.2222287), wk = 0.0029851 k( 290) = ( 0.5000000 0.2886751 0.2091564), wk = 0.0029851 k( 291) = ( 0.5000000 0.2886751 0.1960841), wk = 0.0029851 k( 292) = ( 0.5000000 0.2886751 0.1830119), wk = 0.0029851 k( 293) = ( 0.5000000 0.2886751 0.1699396), wk = 0.0029851 k( 294) = ( 0.5000000 0.2886751 0.1568673), wk = 0.0029851 k( 295) = ( 0.5000000 0.2886751 0.1437950), wk = 0.0029851 k( 296) = ( 0.5000000 0.2886751 0.1307228), wk = 0.0029851 k( 297) = ( 0.5000000 0.2886751 0.1176505), wk = 0.0029851 k( 298) = ( 0.5000000 0.2886751 0.1045782), wk = 0.0029851 k( 299) = ( 0.5000000 0.2886751 0.0915059), wk = 0.0029851 k( 300) = ( 0.5000000 0.2886751 0.0784337), wk = 0.0029851 k( 301) = ( 0.5000000 0.2886751 0.0653614), wk = 0.0029851 k( 302) = ( 0.5000000 0.2886751 0.0522891), wk = 0.0029851 k( 303) = ( 0.5000000 0.2886751 0.0392168), wk = 0.0029851 k( 304) = ( 0.5000000 0.2886751 0.0261446), wk = 0.0029851 k( 305) = ( 0.5000000 0.2886751 0.0130723), wk = 0.0029851 k( 306) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029851 k( 307) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029851 k( 308) = ( 0.3333333 0.5773503 0.0130723), wk = 0.0029851 k( 309) = ( 0.3333333 0.5773503 0.0261446), wk = 0.0029851 k( 310) = ( 0.3333333 0.5773503 0.0392168), wk = 0.0029851 k( 311) = ( 0.3333333 0.5773503 0.0522891), wk = 0.0029851 k( 312) = ( 0.3333333 0.5773503 0.0653614), wk = 0.0029851 k( 313) = ( 0.3333333 0.5773503 0.0784337), wk = 0.0029851 k( 314) = ( 0.3333333 0.5773503 0.0915059), wk = 0.0029851 k( 315) = ( 0.3333333 0.5773503 0.1045782), wk = 0.0029851 k( 316) = ( 0.3333333 0.5773503 0.1176505), wk = 0.0029851 k( 317) = ( 0.3333333 0.5773503 0.1307228), wk = 0.0029851 k( 318) = ( 0.3333333 0.5773503 0.1437950), wk = 0.0029851 k( 319) = ( 0.3333333 0.5773503 0.1568673), wk = 0.0029851 k( 320) = ( 0.3333333 0.5773503 0.1699396), wk = 0.0029851 k( 321) = ( 0.3333333 0.5773503 0.1830119), wk = 0.0029851 k( 322) = ( 0.3333333 0.5773503 0.1960841), wk = 0.0029851 k( 323) = ( 0.3333333 0.5773503 0.2091564), wk = 0.0029851 k( 324) = ( 0.3333333 0.5773503 0.2222287), wk = 0.0029851 k( 325) = ( 0.3333333 0.5773503 0.2353010), wk = 0.0029851 k( 326) = ( 0.3333333 0.5773503 0.2483732), wk = 0.0029851 k( 327) = ( 0.3333333 0.5773503 0.2614455), wk = 0.0029851 k( 328) = ( 0.3333333 0.5773503 0.2745178), wk = 0.0029851 k( 329) = ( 0.3333333 0.5773503 0.2875901), wk = 0.0029851 k( 330) = ( 0.3333333 0.5773503 0.3006624), wk = 0.0029851 k( 331) = ( 0.3333333 0.5773503 0.3137346), wk = 0.0029851 k( 332) = ( 0.3333333 0.5773503 0.3268069), wk = 0.0029851 k( 333) = ( 0.3333333 0.5773503 0.3398792), wk = 0.0029851 k( 334) = ( 0.3333333 0.5773503 0.3529515), wk = 0.0029851 k( 335) = ( 0.3333333 0.5773503 0.3660237), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0113636 0.0000000 -0.0000000), wk = 0.0029851 k( 3) = ( 0.0227273 0.0000000 -0.0000000), wk = 0.0029851 k( 4) = ( 0.0340909 0.0000000 -0.0000000), wk = 0.0029851 k( 5) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0029851 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0029851 k( 7) = ( 0.0681818 0.0000000 -0.0000000), wk = 0.0029851 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0029851 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0029851 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0029851 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0029851 k( 12) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029851 k( 13) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0029851 k( 14) = ( 0.1477273 0.0000000 -0.0000000), wk = 0.0029851 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0029851 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0029851 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0029851 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0029851 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0029851 k( 20) = ( 0.2159091 0.0000000 -0.0000000), wk = 0.0029851 k( 21) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0029851 k( 22) = ( 0.2386364 0.0000000 -0.0000000), wk = 0.0029851 k( 23) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029851 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0029851 k( 25) = ( 0.2727273 0.0000000 -0.0000000), wk = 0.0029851 k( 26) = ( 0.2840909 0.0000000 -0.0000000), wk = 0.0029851 k( 27) = ( 0.2954545 0.0000000 -0.0000000), wk = 0.0029851 k( 28) = ( 0.3068182 0.0000000 -0.0000000), wk = 0.0029851 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0029851 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0029851 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0029851 k( 32) = ( 0.3522727 0.0000000 -0.0000000), wk = 0.0029851 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0029851 k( 34) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0029851 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0029851 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0029851 k( 37) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0029851 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0029851 k( 39) = ( 0.4318182 0.0000000 -0.0000000), wk = 0.0029851 k( 40) = ( 0.4431818 0.0000000 -0.0000000), wk = 0.0029851 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0029851 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0029851 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0029851 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0029851 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029851 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029851 k( 47) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0029851 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0029851 k( 49) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0029851 k( 50) = ( 0.4743590 0.0512821 -0.0000000), wk = 0.0029851 k( 51) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0029851 k( 52) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0029851 k( 53) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0029851 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0029851 k( 55) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0029851 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0029851 k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0029851 k( 58) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0029851 k( 59) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0029851 k( 60) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0029851 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0029851 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0029851 k( 63) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0029851 k( 64) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0029851 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0029851 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0029851 k( 67) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0029851 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0029851 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0029851 k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0029851 k( 71) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0029851 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029851 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029851 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0029851 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0029851 k( 76) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0029851 k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0029851 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0029851 k( 79) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0029851 k( 80) = ( 0.2875817 0.2875817 -0.0000000), wk = 0.0029851 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0029851 k( 82) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0029851 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0029851 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0029851 k( 85) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0029851 k( 86) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0029851 k( 87) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0029851 k( 88) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0029851 k( 89) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0029851 k( 90) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029851 k( 91) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0029851 k( 92) = ( 0.2091503 0.2091503 -0.0000000), wk = 0.0029851 k( 93) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0029851 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0029851 k( 95) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0029851 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0029851 k( 97) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0029851 k( 98) = ( 0.1699346 0.1699346 -0.0000000), wk = 0.0029851 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0029851 k( 100) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0029851 k( 101) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0029851 k( 102) = ( 0.1437908 0.1437909 -0.0000000), wk = 0.0029851 k( 103) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0029851 k( 104) = ( 0.1307190 0.1307190 -0.0000000), wk = 0.0029851 k( 105) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0029851 k( 106) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0029851 k( 107) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029851 k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0029851 k( 109) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0029851 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0029851 k( 111) = ( 0.0849673 0.0849673 -0.0000000), wk = 0.0029851 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0029851 k( 113) = ( 0.0718954 0.0718954 -0.0000000), wk = 0.0029851 k( 114) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0029851 k( 115) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0029851 k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0029851 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0029851 k( 118) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0029851 k( 119) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0029851 k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0029851 k( 121) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0029851 k( 122) = ( 0.0130719 0.0130719 0.0000000), wk = 0.0029851 k( 123) = ( 0.0065359 0.0065360 0.0000000), wk = 0.0029851 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 126) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0029851 k( 127) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0029851 k( 128) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0029851 k( 129) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029851 k( 130) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0029851 k( 131) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0029851 k( 132) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0029851 k( 135) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0029851 k( 136) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0029851 k( 139) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029851 k( 140) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0029851 k( 141) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029851 k( 142) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0029851 k( 143) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0029851 k( 144) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0029851 k( 145) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029851 k( 146) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029851 k( 147) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0029851 k( 148) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0029851 k( 149) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029851 k( 150) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0029851 k( 151) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0029851 k( 152) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0029851 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 155) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0029851 k( 156) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0029851 k( 157) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0029851 k( 158) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0029851 k( 159) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0029851 k( 160) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0029851 k( 161) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0029851 k( 162) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0029851 k( 163) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0029851 k( 164) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0029851 k( 165) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0029851 k( 166) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0029851 k( 167) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0029851 k( 168) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0029851 k( 169) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0029851 k( 170) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0029851 k( 171) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0029851 k( 172) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0029851 k( 173) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0029851 k( 174) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0029851 k( 175) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0029851 k( 176) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0029851 k( 177) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0029851 k( 178) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0029851 k( 179) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0029851 k( 180) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0029851 k( 181) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0029851 k( 182) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0029851 k( 183) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0029851 k( 184) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0029851 k( 185) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0029851 k( 186) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0029851 k( 187) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0029851 k( 188) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0029851 k( 189) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0029851 k( 190) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0029851 k( 191) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0029851 k( 192) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0029851 k( 193) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0029851 k( 194) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0029851 k( 195) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0029851 k( 196) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0029851 k( 197) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0029851 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029851 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029851 k( 200) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029851 k( 201) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029851 k( 202) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029851 k( 203) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0029851 k( 204) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029851 k( 205) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029851 k( 206) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029851 k( 207) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029851 k( 208) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029851 k( 209) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029851 k( 210) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029851 k( 211) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0029851 k( 212) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029851 k( 213) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029851 k( 214) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029851 k( 215) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029851 k( 216) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029851 k( 217) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029851 k( 218) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029851 k( 219) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029851 k( 220) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029851 k( 221) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029851 k( 222) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029851 k( 223) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029851 k( 224) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029851 k( 225) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029851 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029851 k( 227) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0029851 k( 228) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0029851 k( 229) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0029851 k( 230) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0029851 k( 231) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0029851 k( 232) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0029851 k( 233) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0029851 k( 234) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0029851 k( 235) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0029851 k( 236) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0029851 k( 237) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0029851 k( 238) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0029851 k( 239) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0029851 k( 240) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0029851 k( 241) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0029851 k( 242) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0029851 k( 243) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029851 k( 244) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0029851 k( 245) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0029851 k( 246) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0029851 k( 247) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0029851 k( 248) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0029851 k( 249) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0029851 k( 250) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0029851 k( 251) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0029851 k( 252) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0029851 k( 253) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0029851 k( 254) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0029851 k( 255) = ( 0.1437908 0.1437909 0.5000000), wk = 0.0029851 k( 256) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0029851 k( 257) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0029851 k( 258) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0029851 k( 259) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0029851 k( 260) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029851 k( 261) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0029851 k( 262) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0029851 k( 263) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0029851 k( 264) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0029851 k( 265) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0029851 k( 266) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0029851 k( 267) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0029851 k( 268) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0029851 k( 269) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0029851 k( 270) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0029851 k( 271) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0029851 k( 272) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0029851 k( 273) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0029851 k( 274) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0029851 k( 275) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0029851 k( 276) = ( 0.0065359 0.0065360 0.5000000), wk = 0.0029851 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 278) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029851 k( 279) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0029851 k( 280) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0029851 k( 281) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0029851 k( 282) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0029851 k( 283) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0029851 k( 284) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0029851 k( 285) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0029851 k( 286) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0029851 k( 287) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0029851 k( 288) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0029851 k( 289) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0029851 k( 290) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0029851 k( 291) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0029851 k( 292) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029851 k( 293) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0029851 k( 294) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0029851 k( 295) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0029851 k( 296) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0029851 k( 297) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0029851 k( 298) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0029851 k( 299) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0029851 k( 300) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0029851 k( 301) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0029851 k( 302) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0029851 k( 303) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0029851 k( 304) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0029851 k( 305) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0029851 k( 306) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029851 k( 307) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029851 k( 308) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0029851 k( 309) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0029851 k( 310) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0029851 k( 311) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0029851 k( 312) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0029851 k( 313) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0029851 k( 314) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029851 k( 315) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0029851 k( 316) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0029851 k( 317) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0029851 k( 318) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0029851 k( 319) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0029851 k( 320) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0029851 k( 321) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029851 k( 322) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0029851 k( 323) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0029851 k( 324) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0029851 k( 325) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0029851 k( 326) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0029851 k( 327) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0029851 k( 328) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029851 k( 329) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0029851 k( 330) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0029851 k( 331) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0029851 k( 332) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0029851 k( 333) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0029851 k( 334) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0029851 k( 335) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029851 Dense grid: 122749 G-vectors FFT dimensions: ( 60, 60, 80) Smooth grid: 34991 G-vectors FFT dimensions: ( 40, 40, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 254, 58) NL pseudopotentials 0.26 Mb ( 127, 136) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3411) G-vector shells 0.01 Mb ( 1604) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 254, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./TePd.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.0 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.8 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.8 secs Computing kpt #: 26 total cpu time spent up to now is 14.2 secs Computing kpt #: 27 total cpu time spent up to now is 14.6 secs Computing kpt #: 28 total cpu time spent up to now is 15.1 secs Computing kpt #: 29 total cpu time spent up to now is 15.5 secs Computing kpt #: 30 total cpu time spent up to now is 15.9 secs Computing kpt #: 31 total cpu time spent up to now is 16.3 secs Computing kpt #: 32 total cpu time spent up to now is 16.7 secs Computing kpt #: 33 total cpu time spent up to now is 17.1 secs Computing kpt #: 34 total cpu time spent up to now is 17.5 secs Computing kpt #: 35 total cpu time spent up to now is 17.9 secs Computing kpt #: 36 total cpu time spent up to now is 18.4 secs Computing kpt #: 37 total cpu time spent up to now is 18.8 secs Computing kpt #: 38 total cpu time spent up to now is 19.2 secs Computing kpt #: 39 total cpu time spent up to now is 19.6 secs Computing kpt #: 40 total cpu time spent up to now is 20.1 secs Computing kpt #: 41 total cpu time spent up to now is 20.6 secs Computing kpt #: 42 total cpu time spent up to now is 21.1 secs Computing kpt #: 43 total cpu time spent up to now is 21.6 secs Computing kpt #: 44 total cpu time spent up to now is 22.1 secs Computing kpt #: 45 total cpu time spent up to now is 22.6 secs Computing kpt #: 46 total cpu time spent up to now is 23.1 secs Computing kpt #: 47 total cpu time spent up to now is 23.5 secs Computing kpt #: 48 total cpu time spent up to now is 23.9 secs Computing kpt #: 49 total cpu time spent up to now is 24.3 secs Computing kpt #: 50 total cpu time spent up to now is 24.7 secs Computing kpt #: 51 total cpu time spent up to now is 25.0 secs Computing kpt #: 52 total cpu time spent up to now is 25.4 secs Computing kpt #: 53 total cpu time spent up to now is 25.8 secs Computing kpt #: 54 total cpu time spent up to now is 26.2 secs Computing kpt #: 55 total cpu time spent up to now is 26.5 secs Computing kpt #: 56 total cpu time spent up to now is 26.9 secs Computing kpt #: 57 total cpu time spent up to now is 27.3 secs Computing kpt #: 58 total cpu time spent up to now is 27.7 secs Computing kpt #: 59 total cpu time spent up to now is 28.1 secs Computing kpt #: 60 total cpu time spent up to now is 28.5 secs Computing kpt #: 61 total cpu time spent up to now is 28.9 secs Computing kpt #: 62 total cpu time spent up to now is 29.2 secs Computing kpt #: 63 total cpu time spent up to now is 29.6 secs Computing kpt #: 64 total cpu time spent up to now is 30.0 secs Computing kpt #: 65 total cpu time spent up to now is 30.4 secs Computing kpt #: 66 total cpu time spent up to now is 30.9 secs Computing kpt #: 67 total cpu time spent up to now is 31.3 secs Computing kpt #: 68 total cpu time spent up to now is 31.8 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.8 secs Computing kpt #: 71 total cpu time spent up to now is 33.4 secs Computing kpt #: 72 total cpu time spent up to now is 34.0 secs Computing kpt #: 73 total cpu time spent up to now is 34.6 secs Computing kpt #: 74 total cpu time spent up to now is 35.1 secs Computing kpt #: 75 total cpu time spent up to now is 35.6 secs Computing kpt #: 76 total cpu time spent up to now is 36.1 secs Computing kpt #: 77 total cpu time spent up to now is 36.5 secs Computing kpt #: 78 total cpu time spent up to now is 36.9 secs Computing kpt #: 79 total cpu time spent up to now is 37.3 secs Computing kpt #: 80 total cpu time spent up to now is 37.7 secs Computing kpt #: 81 total cpu time spent up to now is 38.2 secs Computing kpt #: 82 total cpu time spent up to now is 38.7 secs Computing kpt #: 83 total cpu time spent up to now is 39.2 secs Computing kpt #: 84 total cpu time spent up to now is 39.7 secs Computing kpt #: 85 total cpu time spent up to now is 40.2 secs Computing kpt #: 86 total cpu time spent up to now is 40.7 secs Computing kpt #: 87 total cpu time spent up to now is 41.1 secs Computing kpt #: 88 total cpu time spent up to now is 41.6 secs Computing kpt #: 89 total cpu time spent up to now is 42.0 secs Computing kpt #: 90 total cpu time spent up to now is 42.5 secs Computing kpt #: 91 total cpu time spent up to now is 43.0 secs Computing kpt #: 92 total cpu time spent up to now is 43.5 secs Computing kpt #: 93 total cpu time spent up to now is 44.0 secs Computing kpt #: 94 total cpu time spent up to now is 44.5 secs Computing kpt #: 95 total cpu time spent up to now is 44.9 secs Computing kpt #: 96 total cpu time spent up to now is 45.4 secs Computing kpt #: 97 total cpu time spent up to now is 45.8 secs Computing kpt #: 98 total cpu time spent up to now is 46.2 secs Computing kpt #: 99 total cpu time spent up to now is 46.6 secs Computing kpt #: 100 total cpu time spent up to now is 47.0 secs Computing kpt #: 101 total cpu time spent up to now is 47.4 secs Computing kpt #: 102 total cpu time spent up to now is 47.8 secs Computing kpt #: 103 total cpu time spent up to now is 48.2 secs Computing kpt #: 104 total cpu time spent up to now is 48.6 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.4 secs Computing kpt #: 107 total cpu time spent up to now is 49.8 secs Computing kpt #: 108 total cpu time spent up to now is 50.2 secs Computing kpt #: 109 total cpu time spent up to now is 50.6 secs Computing kpt #: 110 total cpu time spent up to now is 51.0 secs Computing kpt #: 111 total cpu time spent up to now is 51.4 secs Computing kpt #: 112 total cpu time spent up to now is 51.8 secs Computing kpt #: 113 total cpu time spent up to now is 52.2 secs Computing kpt #: 114 total cpu time spent up to now is 52.5 secs Computing kpt #: 115 total cpu time spent up to now is 52.9 secs Computing kpt #: 116 total cpu time spent up to now is 53.3 secs Computing kpt #: 117 total cpu time spent up to now is 53.7 secs Computing kpt #: 118 total cpu time spent up to now is 54.1 secs Computing kpt #: 119 total cpu time spent up to now is 54.5 secs Computing kpt #: 120 total cpu time spent up to now is 54.9 secs Computing kpt #: 121 total cpu time spent up to now is 55.4 secs Computing kpt #: 122 total cpu time spent up to now is 55.8 secs Computing kpt #: 123 total cpu time spent up to now is 56.1 secs Computing kpt #: 124 total cpu time spent up to now is 56.6 secs Computing kpt #: 125 total cpu time spent up to now is 57.0 secs Computing kpt #: 126 total cpu time spent up to now is 57.4 secs Computing kpt #: 127 total cpu time spent up to now is 57.8 secs Computing kpt #: 128 total cpu time spent up to now is 58.2 secs Computing kpt #: 129 total cpu time spent up to now is 58.7 secs Computing kpt #: 130 total cpu time spent up to now is 59.2 secs Computing kpt #: 131 total cpu time spent up to now is 59.7 secs Computing kpt #: 132 total cpu time spent up to now is 60.1 secs Computing kpt #: 133 total cpu time spent up to now is 60.6 secs Computing kpt #: 134 total cpu time spent up to now is 61.1 secs Computing kpt #: 135 total cpu time spent up to now is 61.6 secs Computing kpt #: 136 total cpu time spent up to now is 62.0 secs Computing kpt #: 137 total cpu time spent up to now is 62.5 secs Computing kpt #: 138 total cpu time spent up to now is 62.9 secs Computing kpt #: 139 total cpu time spent up to now is 63.4 secs Computing kpt #: 140 total cpu time spent up to now is 63.9 secs Computing kpt #: 141 total cpu time spent up to now is 64.4 secs Computing kpt #: 142 total cpu time spent up to now is 64.8 secs Computing kpt #: 143 total cpu time spent up to now is 65.3 secs Computing kpt #: 144 total cpu time spent up to now is 65.8 secs Computing kpt #: 145 total cpu time spent up to now is 66.3 secs Computing kpt #: 146 total cpu time spent up to now is 66.8 secs Computing kpt #: 147 total cpu time spent up to now is 67.3 secs Computing kpt #: 148 total cpu time spent up to now is 67.8 secs Computing kpt #: 149 total cpu time spent up to now is 68.3 secs Computing kpt #: 150 total cpu time spent up to now is 68.9 secs Computing kpt #: 151 total cpu time spent up to now is 69.5 secs Computing kpt #: 152 total cpu time spent up to now is 70.1 secs Computing kpt #: 153 total cpu time spent up to now is 70.6 secs Computing kpt #: 154 total cpu time spent up to now is 71.1 secs Computing kpt #: 155 total cpu time spent up to now is 71.7 secs Computing kpt #: 156 total cpu time spent up to now is 72.2 secs Computing kpt #: 157 total cpu time spent up to now is 72.7 secs Computing kpt #: 158 total cpu time spent up to now is 73.2 secs Computing kpt #: 159 total cpu time spent up to now is 73.7 secs Computing kpt #: 160 total cpu time spent up to now is 74.1 secs Computing kpt #: 161 total cpu time spent up to now is 74.5 secs Computing kpt #: 162 total cpu time spent up to now is 75.0 secs Computing kpt #: 163 total cpu time spent up to now is 75.4 secs Computing kpt #: 164 total cpu time spent up to now is 75.8 secs Computing kpt #: 165 total cpu time spent up to now is 76.2 secs Computing kpt #: 166 total cpu time spent up to now is 76.6 secs Computing kpt #: 167 total cpu time spent up to now is 77.0 secs Computing kpt #: 168 total cpu time spent up to now is 77.5 secs Computing kpt #: 169 total cpu time spent up to now is 78.0 secs Computing kpt #: 170 total cpu time spent up to now is 78.4 secs Computing kpt #: 171 total cpu time spent up to now is 78.8 secs Computing kpt #: 172 total cpu time spent up to now is 79.3 secs Computing kpt #: 173 total cpu time spent up to now is 79.8 secs Computing kpt #: 174 total cpu time spent up to now is 80.2 secs Computing kpt #: 175 total cpu time spent up to now is 80.7 secs Computing kpt #: 176 total cpu time spent up to now is 81.1 secs Computing kpt #: 177 total cpu time spent up to now is 81.5 secs Computing kpt #: 178 total cpu time spent up to now is 82.0 secs Computing kpt #: 179 total cpu time spent up to now is 82.4 secs Computing kpt #: 180 total cpu time spent up to now is 82.8 secs Computing kpt #: 181 total cpu time spent up to now is 83.2 secs Computing kpt #: 182 total cpu time spent up to now is 83.6 secs Computing kpt #: 183 total cpu time spent up to now is 84.0 secs Computing kpt #: 184 total cpu time spent up to now is 84.4 secs Computing kpt #: 185 total cpu time spent up to now is 84.7 secs Computing kpt #: 186 total cpu time spent up to now is 85.1 secs Computing kpt #: 187 total cpu time spent up to now is 85.5 secs Computing kpt #: 188 total cpu time spent up to now is 85.9 secs Computing kpt #: 189 total cpu time spent up to now is 86.2 secs Computing kpt #: 190 total cpu time spent up to now is 86.6 secs Computing kpt #: 191 total cpu time spent up to now is 87.0 secs Computing kpt #: 192 total cpu time spent up to now is 87.3 secs Computing kpt #: 193 total cpu time spent up to now is 87.7 secs Computing kpt #: 194 total cpu time spent up to now is 88.1 secs Computing kpt #: 195 total cpu time spent up to now is 88.4 secs Computing kpt #: 196 total cpu time spent up to now is 88.8 secs Computing kpt #: 197 total cpu time spent up to now is 89.2 secs Computing kpt #: 198 total cpu time spent up to now is 89.5 secs Computing kpt #: 199 total cpu time spent up to now is 89.9 secs Computing kpt #: 200 total cpu time spent up to now is 90.3 secs Computing kpt #: 201 total cpu time spent up to now is 90.7 secs Computing kpt #: 202 total cpu time spent up to now is 91.2 secs Computing kpt #: 203 total cpu time spent up to now is 91.6 secs Computing kpt #: 204 total cpu time spent up to now is 92.0 secs Computing kpt #: 205 total cpu time spent up to now is 92.4 secs Computing kpt #: 206 total cpu time spent up to now is 92.9 secs Computing kpt #: 207 total cpu time spent up to now is 93.3 secs Computing kpt #: 208 total cpu time spent up to now is 93.7 secs Computing kpt #: 209 total cpu time spent up to now is 94.1 secs Computing kpt #: 210 total cpu time spent up to now is 94.6 secs Computing kpt #: 211 total cpu time spent up to now is 95.0 secs Computing kpt #: 212 total cpu time spent up to now is 95.4 secs Computing kpt #: 213 total cpu time spent up to now is 95.9 secs Computing kpt #: 214 total cpu time spent up to now is 96.3 secs Computing kpt #: 215 total cpu time spent up to now is 96.9 secs Computing kpt #: 216 total cpu time spent up to now is 97.4 secs Computing kpt #: 217 total cpu time spent up to now is 97.9 secs Computing kpt #: 218 total cpu time spent up to now is 98.4 secs Computing kpt #: 219 total cpu time spent up to now is 98.9 secs Computing kpt #: 220 total cpu time spent up to now is 99.4 secs Computing kpt #: 221 total cpu time spent up to now is 99.8 secs Computing kpt #: 222 total cpu time spent up to now is 100.3 secs Computing kpt #: 223 total cpu time spent up to now is 100.7 secs Computing kpt #: 224 total cpu time spent up to now is 101.2 secs Computing kpt #: 225 total cpu time spent up to now is 101.7 secs Computing kpt #: 226 total cpu time spent up to now is 102.1 secs Computing kpt #: 227 total cpu time spent up to now is 102.6 secs Computing kpt #: 228 total cpu time spent up to now is 103.1 secs Computing kpt #: 229 total cpu time spent up to now is 103.6 secs Computing kpt #: 230 total cpu time spent up to now is 104.1 secs Computing kpt #: 231 total cpu time spent up to now is 104.8 secs Computing kpt #: 232 total cpu time spent up to now is 105.5 secs Computing kpt #: 233 total cpu time spent up to now is 106.2 secs Computing kpt #: 234 total cpu time spent up to now is 106.7 secs Computing kpt #: 235 total cpu time spent up to now is 107.2 secs Computing kpt #: 236 total cpu time spent up to now is 107.8 secs Computing kpt #: 237 total cpu time spent up to now is 108.3 secs Computing kpt #: 238 total cpu time spent up to now is 108.9 secs Computing kpt #: 239 total cpu time spent up to now is 109.4 secs Computing kpt #: 240 total cpu time spent up to now is 109.9 secs Computing kpt #: 241 total cpu time spent up to now is 110.4 secs Computing kpt #: 242 total cpu time spent up to now is 110.9 secs Computing kpt #: 243 total cpu time spent up to now is 111.5 secs Computing kpt #: 244 total cpu time spent up to now is 112.2 secs Computing kpt #: 245 total cpu time spent up to now is 112.6 secs Computing kpt #: 246 total cpu time spent up to now is 113.0 secs Computing kpt #: 247 total cpu time spent up to now is 113.4 secs Computing kpt #: 248 total cpu time spent up to now is 113.9 secs Computing kpt #: 249 total cpu time spent up to now is 114.3 secs Computing kpt #: 250 total cpu time spent up to now is 114.7 secs Computing kpt #: 251 total cpu time spent up to now is 115.2 secs Computing kpt #: 252 total cpu time spent up to now is 115.6 secs Computing kpt #: 253 total cpu time spent up to now is 116.0 secs Computing kpt #: 254 total cpu time spent up to now is 116.4 secs Computing kpt #: 255 total cpu time spent up to now is 116.9 secs Computing kpt #: 256 total cpu time spent up to now is 117.3 secs Computing kpt #: 257 total cpu time spent up to now is 117.8 secs Computing kpt #: 258 total cpu time spent up to now is 118.3 secs Computing kpt #: 259 total cpu time spent up to now is 118.8 secs Computing kpt #: 260 total cpu time spent up to now is 119.3 secs Computing kpt #: 261 total cpu time spent up to now is 119.8 secs Computing kpt #: 262 total cpu time spent up to now is 120.4 secs Computing kpt #: 263 total cpu time spent up to now is 120.9 secs Computing kpt #: 264 total cpu time spent up to now is 121.4 secs Computing kpt #: 265 total cpu time spent up to now is 122.0 secs Computing kpt #: 266 total cpu time spent up to now is 122.5 secs Computing kpt #: 267 total cpu time spent up to now is 123.0 secs Computing kpt #: 268 total cpu time spent up to now is 123.6 secs Computing kpt #: 269 total cpu time spent up to now is 124.1 secs Computing kpt #: 270 total cpu time spent up to now is 124.7 secs Computing kpt #: 271 total cpu time spent up to now is 125.2 secs Computing kpt #: 272 total cpu time spent up to now is 125.8 secs Computing kpt #: 273 total cpu time spent up to now is 126.4 secs Computing kpt #: 274 total cpu time spent up to now is 126.9 secs Computing kpt #: 275 total cpu time spent up to now is 127.5 secs Computing kpt #: 276 total cpu time spent up to now is 128.0 secs Computing kpt #: 277 total cpu time spent up to now is 128.5 secs Computing kpt #: 278 total cpu time spent up to now is 128.9 secs Computing kpt #: 279 total cpu time spent up to now is 129.3 secs Computing kpt #: 280 total cpu time spent up to now is 129.7 secs Computing kpt #: 281 total cpu time spent up to now is 130.1 secs Computing kpt #: 282 total cpu time spent up to now is 130.6 secs Computing kpt #: 283 total cpu time spent up to now is 131.0 secs Computing kpt #: 284 total cpu time spent up to now is 131.4 secs Computing kpt #: 285 total cpu time spent up to now is 132.0 secs Computing kpt #: 286 total cpu time spent up to now is 132.4 secs Computing kpt #: 287 total cpu time spent up to now is 132.9 secs Computing kpt #: 288 total cpu time spent up to now is 133.4 secs Computing kpt #: 289 total cpu time spent up to now is 133.8 secs Computing kpt #: 290 total cpu time spent up to now is 134.2 secs Computing kpt #: 291 total cpu time spent up to now is 134.6 secs Computing kpt #: 292 total cpu time spent up to now is 135.0 secs Computing kpt #: 293 total cpu time spent up to now is 135.4 secs Computing kpt #: 294 total cpu time spent up to now is 135.8 secs Computing kpt #: 295 total cpu time spent up to now is 136.1 secs Computing kpt #: 296 total cpu time spent up to now is 136.5 secs Computing kpt #: 297 total cpu time spent up to now is 136.9 secs Computing kpt #: 298 total cpu time spent up to now is 137.3 secs Computing kpt #: 299 total cpu time spent up to now is 137.7 secs Computing kpt #: 300 total cpu time spent up to now is 138.1 secs Computing kpt #: 301 total cpu time spent up to now is 138.5 secs Computing kpt #: 302 total cpu time spent up to now is 138.9 secs Computing kpt #: 303 total cpu time spent up to now is 139.3 secs Computing kpt #: 304 total cpu time spent up to now is 139.8 secs Computing kpt #: 305 total cpu time spent up to now is 140.3 secs Computing kpt #: 306 total cpu time spent up to now is 140.8 secs Computing kpt #: 307 total cpu time spent up to now is 141.3 secs Computing kpt #: 308 total cpu time spent up to now is 142.0 secs Computing kpt #: 309 total cpu time spent up to now is 142.6 secs Computing kpt #: 310 total cpu time spent up to now is 143.2 secs Computing kpt #: 311 total cpu time spent up to now is 143.7 secs Computing kpt #: 312 total cpu time spent up to now is 144.2 secs Computing kpt #: 313 total cpu time spent up to now is 144.7 secs Computing kpt #: 314 total cpu time spent up to now is 145.2 secs Computing kpt #: 315 total cpu time spent up to now is 145.6 secs Computing kpt #: 316 total cpu time spent up to now is 146.1 secs Computing kpt #: 317 total cpu time spent up to now is 146.6 secs Computing kpt #: 318 total cpu time spent up to now is 147.2 secs Computing kpt #: 319 total cpu time spent up to now is 147.7 secs Computing kpt #: 320 total cpu time spent up to now is 148.4 secs Computing kpt #: 321 total cpu time spent up to now is 149.0 secs Computing kpt #: 322 total cpu time spent up to now is 149.6 secs Computing kpt #: 323 total cpu time spent up to now is 150.2 secs Computing kpt #: 324 total cpu time spent up to now is 150.7 secs Computing kpt #: 325 total cpu time spent up to now is 151.3 secs Computing kpt #: 326 total cpu time spent up to now is 151.8 secs Computing kpt #: 327 total cpu time spent up to now is 152.3 secs Computing kpt #: 328 total cpu time spent up to now is 152.8 secs Computing kpt #: 329 total cpu time spent up to now is 153.2 secs Computing kpt #: 330 total cpu time spent up to now is 153.7 secs Computing kpt #: 331 total cpu time spent up to now is 154.1 secs Computing kpt #: 332 total cpu time spent up to now is 154.5 secs Computing kpt #: 333 total cpu time spent up to now is 154.9 secs Computing kpt #: 334 total cpu time spent up to now is 155.5 secs Computing kpt #: 335 total cpu time spent up to now is 155.9 secs ethr = 2.08E-08, avg # of iterations = 20.2 total cpu time spent up to now is 155.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4419 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6731 -0.6731 1.7106 1.7106 6.2359 6.2359 7.2757 7.2757 7.4094 7.4094 8.2793 8.2793 9.0489 9.0489 9.1107 9.1107 9.4627 9.4627 9.7215 9.7215 10.5491 10.5491 10.7163 10.7163 11.2175 11.2175 12.0470 12.0470 12.5208 12.5208 13.3953 13.3953 14.4546 14.4546 14.7006 14.7006 15.1637 15.1637 16.1769 16.1769 17.9375 17.9375 k = 0.0114 0.0066-0.0000 ( 4419 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6719 -0.6719 1.7101 1.7101 6.2375 6.2375 7.2766 7.2766 7.4102 7.4102 8.2790 8.2790 9.0478 9.0478 9.1095 9.1095 9.4616 9.4616 9.7206 9.7206 10.5489 10.5489 10.7160 10.7160 11.2152 11.2152 12.0412 12.0412 12.5201 12.5201 13.3964 13.3964 14.4463 14.4463 14.6857 14.6857 15.1883 15.1883 16.1864 16.1864 17.9399 17.9399 k = 0.0227 0.0131-0.0000 ( 4413 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6683 -0.6683 1.7088 1.7088 6.2423 6.2423 7.2790 7.2790 7.4127 7.4127 8.2780 8.2780 9.0442 9.0442 9.1060 9.1060 9.4584 9.4584 9.7181 9.7181 10.5484 10.5484 10.7149 10.7149 11.2082 11.2082 12.0239 12.0239 12.5182 12.5182 13.3997 13.3997 14.4196 14.4196 14.6520 14.6520 15.2525 15.2525 16.2146 16.2146 17.9462 17.9462 k = 0.0341 0.0197-0.0000 ( 4405 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6624 -0.6624 1.7066 1.7066 6.2503 6.2503 7.2830 7.2830 7.4168 7.4168 8.2764 8.2764 9.0381 9.0381 9.1003 9.1003 9.4529 9.4529 9.7142 9.7142 10.5474 10.5474 10.7130 10.7130 11.1961 11.1961 11.9965 11.9965 12.5150 12.5150 13.4053 13.4053 14.3723 14.3723 14.6177 14.6177 15.3398 15.3398 16.2613 16.2613 17.9538 17.9538 k = 0.0455 0.0262-0.0000 ( 4393 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6540 -0.6540 1.7036 1.7036 6.2615 6.2615 7.2886 7.2886 7.4227 7.4227 8.2739 8.2739 9.0292 9.0292 9.0925 9.0925 9.4448 9.4448 9.7094 9.7094 10.5462 10.5462 10.7105 10.7105 11.1786 11.1786 11.9604 11.9604 12.5105 12.5105 13.4132 13.4132 14.3066 14.3066 14.5908 14.5908 15.4389 15.4389 16.3259 16.3259 17.9595 17.9595 k = 0.0568 0.0328-0.0000 ( 4397 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2300 -36.2300 -36.1650 -36.1650 -0.6434 -0.6434 1.6997 1.6997 6.2758 6.2758 7.2954 7.2954 7.4302 7.4302 8.2707 8.2707 9.0171 9.0171 9.0830 9.0830 9.4337 9.4337 9.7041 9.7041 10.5445 10.5445 10.7074 10.7074 11.1552 11.1552 11.9177 11.9177 12.5044 12.5044 13.4234 13.4234 14.2283 14.2283 14.5708 14.5708 15.5433 15.5433 16.4072 16.4072 17.9615 17.9615 k = 0.0682 0.0394-0.0000 ( 4397 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2301 -36.2301 -36.1650 -36.1650 -0.6303 -0.6303 1.6949 1.6949 6.2933 6.2933 7.3036 7.3036 7.4396 7.4396 8.2665 8.2665 9.0016 9.0016 9.0722 9.0722 9.4194 9.4194 9.6990 9.6990 10.5422 10.5422 10.7036 10.7036 11.1254 11.1254 11.8707 11.8707 12.4968 12.4968 13.4358 13.4358 14.1426 14.1426 14.5553 14.5553 15.6491 15.6491 16.5040 16.5040 17.9607 17.9607 k = 0.0795 0.0459-0.0000 ( 4389 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2301 -36.2301 -36.1650 -36.1650 -0.6150 -0.6150 1.6894 1.6894 6.3140 6.3140 7.3129 7.3129 7.4509 7.4509 8.2611 8.2611 8.9824 8.9824 9.0605 9.0605 9.4017 9.4017 9.6947 9.6947 10.5395 10.5395 10.6993 10.6993 11.0891 11.0891 11.8213 11.8213 12.4877 12.4877 13.4501 13.4501 14.0529 14.0529 14.5429 14.5429 15.7537 15.7537 16.6142 16.6142 17.9600 17.9600 k = 0.0909 0.0525-0.0000 ( 4385 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2476 -36.2476 -36.2301 -36.2301 -36.1650 -36.1650 -0.5974 -0.5974 1.6830 1.6830 6.3377 6.3377 7.3231 7.3231 7.4642 7.4642 8.2544 8.2544 8.9590 8.9590 9.0481 9.0481 9.3805 9.3805 9.6916 9.6916 10.5362 10.5362 10.6945 10.6945 11.0466 11.0466 11.7713 11.7713 12.4769 12.4769 13.4658 13.4658 13.9612 13.9612 14.5327 14.5327 15.8553 15.8553 16.7351 16.7351 17.9631 17.9631 k = 0.1023 0.0590-0.0000 ( 4381 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2476 -36.2476 -36.2301 -36.2301 -36.1650 -36.1650 -0.5775 -0.5775 1.6758 1.6758 6.3645 6.3645 7.3341 7.3341 7.4795 7.4795 8.2461 8.2461 8.9316 8.9316 9.0353 9.0353 9.3559 9.3559 9.6900 9.6900 10.5322 10.5322 10.6890 10.6890 10.9988 10.9988 11.7216 11.7216 12.4644 12.4644 13.4818 13.4818 13.8690 13.8690 14.5248 14.5248 15.9526 15.9526 16.8630 16.8630 17.9742 17.9742 k = 0.1136 0.0656-0.0000 ( 4377 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2477 -36.2477 -36.2302 -36.2302 -36.1651 -36.1651 -0.5554 -0.5554 1.6679 1.6679 6.3943 6.3943 7.3458 7.3458 7.4968 7.4968 8.2356 8.2356 8.9002 8.9002 9.0224 9.0224 9.3281 9.3281 9.6901 9.6901 10.5271 10.5271 10.6828 10.6828 10.9471 10.9471 11.6729 11.6729 12.4499 12.4499 13.4961 13.4961 13.7787 13.7787 14.5191 14.5191 16.0443 16.0443 16.9937 16.9937 17.9977 17.9977 k = 0.1250 0.0722-0.0000 ( 4371 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2477 -36.2477 -36.2302 -36.2302 -36.1651 -36.1651 -0.5310 -0.5310 1.6592 1.6592 6.4271 6.4271 7.3579 7.3579 7.5163 7.5163 8.2226 8.2226 8.8651 8.8651 9.0094 9.0094 9.2976 9.2976 9.6918 9.6918 10.5207 10.5207 10.6753 10.6753 10.8937 10.8937 11.6252 11.6252 12.4335 12.4335 13.5029 13.5029 13.6959 13.6959 14.5158 14.5158 16.1294 16.1294 17.1223 17.1223 18.0386 18.0386 k = 0.1364 0.0787-0.0000 ( 4367 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2478 -36.2478 -36.2302 -36.2302 -36.1651 -36.1651 -0.5046 -0.5046 1.6497 1.6497 6.4628 6.4628 7.3703 7.3703 7.5378 7.5378 8.2064 8.2064 8.8269 8.8269 8.9965 8.9965 9.2649 9.2649 9.6952 9.6952 10.5122 10.5122 10.6660 10.6660 10.8416 10.8416 11.5780 11.5780 12.4150 12.4150 13.4845 13.4845 13.6380 13.6380 14.5151 14.5151 16.2068 16.2068 17.2440 17.2440 18.1014 18.1014 k = 0.1477 0.0853-0.0000 ( 4363 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2478 -36.2478 -36.2303 -36.2303 -36.1651 -36.1651 -0.4760 -0.4760 1.6396 1.6396 6.5013 6.5013 7.3830 7.3830 7.5612 7.5612 8.1860 8.1860 8.7865 8.7865 8.9838 8.9838 9.2305 9.2305 9.7002 9.7002 10.5006 10.5006 10.6539 10.6539 10.7945 10.7945 11.5308 11.5308 12.3943 12.3943 13.4234 13.4234 13.6225 13.6225 14.5171 14.5171 16.2754 16.2754 17.3555 17.3555 18.1885 18.1885 k = 0.1591 0.0919-0.0000 ( 4375 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2479 -36.2479 -36.2303 -36.2303 -36.1651 -36.1651 -0.4454 -0.4454 1.6288 1.6288 6.5426 6.5426 7.3957 7.3957 7.5862 7.5862 8.1606 8.1606 8.7449 8.7449 8.9715 8.9715 9.1948 9.1948 9.7063 9.7063 10.4843 10.4843 10.6379 10.6379 10.7563 10.7563 11.4833 11.4833 12.3710 12.3710 13.3377 13.3377 13.6308 13.6308 14.5217 14.5217 16.3344 16.3344 17.4561 17.4561 18.2990 18.2990 k = 0.1705 0.0984-0.0000 ( 4371 PWs) bands (ev): -71.8571 -71.8571 -71.8446 -71.8446 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2480 -36.2480 -36.2304 -36.2304 -36.1651 -36.1651 -0.4128 -0.4128 1.6173 1.6173 6.5866 6.5866 7.4084 7.4084 7.6127 7.6127 8.1294 8.1294 8.7038 8.7038 8.9598 8.9598 9.1582 9.1582 9.7138 9.7138 10.4617 10.4617 10.6191 10.6191 10.7290 10.7290 11.4348 11.4348 12.3452 12.3452 13.2438 13.2438 13.6464 13.6464 14.5289 14.5289 16.3831 16.3831 17.5477 17.5477 18.4278 18.4278 k = 0.1818 0.1050-0.0000 ( 4365 PWs) bands (ev): -71.8571 -71.8571 -71.8446 -71.8446 -40.7086 -40.7086 -40.6740 -40.6740 -36.2785 -36.2785 -36.2480 -36.2480 -36.2304 -36.2304 -36.1651 -36.1651 -0.3782 -0.3782 1.6051 1.6051 6.6332 6.6332 7.4210 7.4210 7.6401 7.6401 8.0916 8.0916 8.6646 8.6646 8.9489 8.9489 9.1213 9.1213 9.7224 9.7224 10.4322 10.4322 10.6006 10.6006 10.7110 10.7110 11.3851 11.3851 12.3164 12.3164 13.1469 13.1469 13.6639 13.6639 14.5387 14.5387 16.4218 16.4218 17.6328 17.6328 18.5662 18.5662 k = 0.1932 0.1115-0.0000 ( 4365 PWs) bands (ev): -71.8571 -71.8571 -71.8446 -71.8446 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2481 -36.2481 -36.2305 -36.2305 -36.1652 -36.1652 -0.3418 -0.3418 1.5924 1.5924 6.6822 6.6822 7.4335 7.4335 7.6673 7.6673 8.0472 8.0472 8.6285 8.6285 8.9390 8.9390 9.0843 9.0843 9.7319 9.7319 10.3970 10.3970 10.5853 10.5853 10.6988 10.6988 11.3338 11.3338 12.2846 12.2846 13.0486 13.0486 13.6814 13.6814 14.5507 14.5507 16.4510 16.4510 17.7130 17.7130 18.6165 18.6165 k = 0.2045 0.1181-0.0000 ( 4365 PWs) bands (ev): -71.8571 -71.8571 -71.8446 -71.8446 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2482 -36.2482 -36.2305 -36.2305 -36.1652 -36.1652 -0.3036 -0.3036 1.5790 1.5790 6.7335 6.7335 7.4456 7.4456 7.6921 7.6921 7.9982 7.9982 8.5966 8.5966 8.9303 8.9303 9.0475 9.0475 9.7423 9.7423 10.3587 10.3587 10.5734 10.5734 10.6899 10.6899 11.2808 11.2808 12.2494 12.2494 12.9498 12.9498 13.6980 13.6980 14.5647 14.5647 16.4718 16.4718 17.7874 17.7874 18.5039 18.5039 k = 0.2159 0.1247-0.0000 ( 4359 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2483 -36.2483 -36.2306 -36.2306 -36.1652 -36.1652 -0.2636 -0.2636 1.5650 1.5650 6.7869 6.7869 7.4574 7.4574 7.7094 7.7094 7.9501 7.9501 8.5694 8.5694 8.9231 8.9231 9.0114 9.0114 9.7534 9.7534 10.3196 10.3196 10.5642 10.5642 10.6828 10.6828 11.2263 11.2263 12.2108 12.2108 12.8510 12.8510 13.7130 13.7130 14.5807 14.5807 16.4857 16.4857 17.8527 17.8527 18.3999 18.3999 k = 0.2273 0.1312-0.0000 ( 4367 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2483 -36.2483 -36.2306 -36.2306 -36.1652 -36.1652 -0.2221 -0.2221 1.5505 1.5505 6.8421 6.8421 7.4684 7.4684 7.7072 7.7072 7.9155 7.9155 8.5467 8.5467 8.9173 8.9173 8.9761 8.9761 9.7651 9.7651 10.2814 10.2814 10.5570 10.5570 10.6767 10.6767 11.1702 11.1702 12.1684 12.1684 12.7525 12.7525 13.7260 13.7260 14.5982 14.5982 16.4940 16.4940 17.9036 17.9036 18.3084 18.3084 k = 0.2386 0.1378-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2484 -36.2484 -36.2307 -36.2307 -36.1652 -36.1652 -0.1790 -0.1790 1.5353 1.5353 6.8987 6.8987 7.4784 7.4784 7.6731 7.6731 7.9086 7.9086 8.5282 8.5282 8.9128 8.9128 8.9425 8.9425 9.7771 9.7771 10.2450 10.2450 10.5509 10.5509 10.6711 10.6711 11.1127 11.1127 12.1221 12.1221 12.6547 12.6547 13.7368 13.7368 14.6172 14.6172 16.4982 16.4982 17.9334 17.9334 18.2311 18.2311 k = 0.2500 0.1443-0.0000 ( 4365 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2485 -36.2485 -36.2307 -36.2307 -36.1652 -36.1652 -0.1345 -0.1345 1.5196 1.5196 6.9562 6.9562 7.4856 7.4856 7.6139 7.6139 7.9259 7.9259 8.5133 8.5133 8.9025 8.9025 8.9182 8.9182 9.7896 9.7896 10.2108 10.2108 10.5458 10.5458 10.6657 10.6657 11.0542 11.0542 12.0718 12.0718 12.5580 12.5580 13.7451 13.7451 14.6373 14.6373 16.4994 16.4994 17.9373 17.9373 18.1688 18.1688 k = 0.2614 0.1509-0.0000 ( 4365 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2486 -36.2486 -36.2308 -36.2308 -36.1653 -36.1653 -0.0887 -0.0887 1.5033 1.5033 7.0135 7.0135 7.4808 7.4808 7.5526 7.5526 7.9555 7.9555 8.5014 8.5014 8.8743 8.8743 8.9157 8.9157 9.8023 9.8023 10.1789 10.1789 10.5413 10.5413 10.6599 10.6599 10.9950 10.9950 12.0173 12.0173 12.4625 12.4625 13.7508 13.7508 14.6585 14.6585 16.4987 16.4987 17.9176 17.9176 18.1176 18.1176 k = 0.2727 0.1575-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2487 -36.2487 -36.2308 -36.2308 -36.1653 -36.1653 -0.0417 -0.0417 1.4864 1.4864 7.0683 7.0683 7.4324 7.4324 7.5303 7.5303 7.9910 7.9910 8.4922 8.4922 8.8450 8.8450 8.9185 8.9185 9.8152 9.8152 10.1491 10.1491 10.5372 10.5372 10.6533 10.6533 10.9359 10.9359 11.9586 11.9586 12.3687 12.3687 13.7540 13.7540 14.6805 14.6805 16.4969 16.4969 17.8832 17.8832 18.0696 18.0696 k = 0.2841 0.1640-0.0000 ( 4387 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2487 -36.2487 -36.2309 -36.2309 -36.1653 -36.1653 0.0064 0.0064 1.4689 1.4689 7.1138 7.1138 7.3644 7.3644 7.5332 7.5332 8.0292 8.0292 8.4852 8.4852 8.8176 8.8176 8.9243 8.9243 9.8279 9.8279 10.1214 10.1214 10.5333 10.5333 10.6449 10.6449 10.8777 10.8777 11.8956 11.8956 12.2768 12.2768 13.7546 13.7546 14.7032 14.7032 16.4947 16.4947 17.8432 17.8432 18.0194 18.0194 k = 0.2955 0.1706-0.0000 ( 4387 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2488 -36.2488 -36.2309 -36.2309 -36.1653 -36.1653 0.0555 0.0555 1.4507 1.4507 7.1281 7.1281 7.3214 7.3214 7.5405 7.5405 8.0689 8.0689 8.4802 8.4802 8.7927 8.7927 8.9331 8.9331 9.8407 9.8407 10.0955 10.0955 10.5298 10.5298 10.6331 10.6331 10.8226 10.8226 11.8284 11.8284 12.1872 12.1872 13.7530 13.7530 14.7264 14.7264 16.4927 16.4927 17.8018 17.8018 17.9667 17.9667 k = 0.3068 0.1771-0.0000 ( 4379 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2489 -36.2489 -36.2310 -36.2310 -36.1653 -36.1653 0.1053 0.1053 1.4319 1.4319 7.0857 7.0857 7.3327 7.3327 7.5494 7.5494 8.1089 8.1089 8.4770 8.4770 8.7710 8.7710 8.9449 8.9449 9.8535 9.8535 10.0712 10.0712 10.5265 10.5265 10.6147 10.6147 10.7739 10.7739 11.7572 11.7572 12.1002 12.1002 13.7494 13.7494 14.7500 14.7500 16.4914 16.4914 17.7588 17.7588 17.9148 17.9148 k = 0.3182 0.1837-0.0000 ( 4374 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2490 -36.2490 -36.2310 -36.2310 -36.1653 -36.1653 0.1558 0.1558 1.4125 1.4125 7.0108 7.0108 7.3751 7.3751 7.5597 7.5597 8.1483 8.1483 8.4757 8.4757 8.7529 8.7529 8.9597 8.9597 9.8660 9.8660 10.0482 10.0482 10.5233 10.5233 10.5851 10.5851 10.7362 10.7362 11.6821 11.6821 12.0161 12.0161 13.7439 13.7439 14.7737 14.7737 16.4910 16.4910 17.7113 17.7113 17.8691 17.8691 k = 0.3295 0.1903-0.0000 ( 4376 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2490 -36.2490 -36.2311 -36.2311 -36.1654 -36.1654 0.2068 0.2068 1.3923 1.3923 6.9267 6.9267 7.4241 7.4241 7.5730 7.5730 8.1863 8.1863 8.4760 8.4760 8.7392 8.7392 8.9775 8.9775 9.8781 9.8781 10.0261 10.0261 10.5193 10.5193 10.5435 10.5435 10.7114 10.7114 11.6037 11.6037 11.9352 11.9352 13.7371 13.7371 14.7974 14.7974 16.4920 16.4920 17.6566 17.6566 17.8338 17.8338 k = 0.3409 0.1968-0.0000 ( 4378 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2491 -36.2491 -36.2311 -36.2311 -36.1654 -36.1654 0.2581 0.2581 1.3714 1.3714 6.8411 6.8411 7.4687 7.4687 7.5926 7.5926 8.2218 8.2218 8.4782 8.4782 8.7308 8.7308 8.9984 8.9984 9.8896 9.8896 10.0047 10.0047 10.4886 10.4886 10.5194 10.5194 10.6965 10.6965 11.5222 11.5222 11.8578 11.8578 13.7291 13.7291 14.8208 14.8208 16.4945 16.4945 17.5950 17.5950 17.8096 17.8096 k = 0.3523 0.2034-0.0000 ( 4378 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2492 -36.2492 -36.2312 -36.2312 -36.1654 -36.1654 0.3096 0.3096 1.3497 1.3497 6.7569 6.7569 7.5017 7.5017 7.6231 7.6231 8.2538 8.2538 8.4821 8.4821 8.7287 8.7287 9.0225 9.0225 9.9003 9.9003 9.9839 9.9839 10.4322 10.4322 10.5160 10.5160 10.6873 10.6873 11.4383 11.4383 11.7842 11.7842 13.7204 13.7204 14.8437 14.8437 16.4988 16.4988 17.5289 17.5289 17.7946 17.7946 k = 0.3636 0.2099-0.0000 ( 4370 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2492 -36.2492 -36.2312 -36.2312 -36.1654 -36.1654 0.3611 0.3611 1.3271 1.3271 6.6756 6.6756 7.5219 7.5219 7.6642 7.6642 8.2815 8.2815 8.4877 8.4877 8.7339 8.7339 9.0496 9.0496 9.9102 9.9102 9.9636 9.9636 10.3731 10.3731 10.5132 10.5132 10.6811 10.6811 11.3528 11.3528 11.7148 11.7148 13.7114 13.7114 14.8659 14.8659 16.5050 16.5050 17.4607 17.4607 17.7863 17.7863 k = 0.3750 0.2165-0.0000 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2493 -36.2493 -36.2313 -36.2313 -36.1654 -36.1654 0.4123 0.4123 1.3037 1.3037 6.5981 6.5981 7.5335 7.5335 7.7104 7.7104 8.3044 8.3044 8.4948 8.4948 8.7470 8.7470 9.0798 9.0798 9.9176 9.9176 9.9449 9.9449 10.3131 10.3131 10.5106 10.5106 10.6766 10.6766 11.2664 11.2664 11.6497 11.6497 13.7022 13.7022 14.8873 14.8873 16.5134 16.5134 17.3922 17.3922 17.7830 17.7830 k = 0.3864 0.2231-0.0000 ( 4360 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2493 -36.2493 -36.2313 -36.2313 -36.1654 -36.1654 0.4632 0.4632 1.2793 1.2793 6.5252 6.5252 7.5406 7.5406 7.7569 7.7569 8.3225 8.3225 8.5032 8.5032 8.7680 8.7680 9.1128 9.1128 9.9132 9.9132 9.9367 9.9367 10.2535 10.2535 10.5080 10.5080 10.6732 10.6732 11.1800 11.1800 11.5894 11.5894 13.6932 13.6932 14.9075 14.9075 16.5239 16.5239 17.3244 17.3244 17.7833 17.7833 k = 0.3977 0.2296-0.0000 ( 4358 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2494 -36.2494 -36.2313 -36.2313 -36.1654 -36.1654 0.5134 0.5134 1.2540 1.2540 6.4576 6.4576 7.5452 7.5452 7.8008 7.8008 8.3364 8.3364 8.5127 8.5127 8.7960 8.7960 9.1487 9.1487 9.8943 9.8943 9.9412 9.9412 10.1953 10.1953 10.5052 10.5052 10.6704 10.6704 11.0946 11.0946 11.5339 11.5339 13.6845 13.6845 14.9264 14.9264 16.5368 16.5368 17.2581 17.2581 17.7862 17.7862 k = 0.4091 0.2362-0.0000 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2494 -36.2494 -36.2314 -36.2314 -36.1654 -36.1654 0.5627 0.5627 1.2277 1.2277 6.3956 6.3956 7.5483 7.5483 7.8405 7.8405 8.3468 8.3468 8.5234 8.5234 8.8295 8.8295 9.1872 9.1872 9.8718 9.8719 9.9472 9.9472 10.1393 10.1393 10.5021 10.5021 10.6679 10.6679 11.0116 11.0116 11.4838 11.4838 13.6763 13.6763 14.9438 14.9438 16.5521 16.5521 17.1938 17.1938 17.7908 17.7908 k = 0.4205 0.2427-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2495 -36.2495 -36.2314 -36.2314 -36.1654 -36.1654 0.6109 0.6109 1.2005 1.2005 6.3399 6.3399 7.5503 7.5503 7.8751 7.8751 8.3546 8.3546 8.5351 8.5351 8.8669 8.8669 9.2280 9.2280 9.8474 9.8474 9.9523 9.9523 10.0867 10.0867 10.4988 10.4988 10.6657 10.6657 10.9325 10.9325 11.4391 11.4391 13.6689 13.6689 14.9596 14.9596 16.5700 16.5700 17.1320 17.1320 17.7963 17.7963 k = 0.4318 0.2493-0.0000 ( 4368 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2495 -36.2495 -36.2314 -36.2314 -36.1655 -36.1655 0.6577 0.6577 1.1725 1.1725 6.2907 6.2907 7.5518 7.5518 7.9043 7.9043 8.3604 8.3604 8.5476 8.5476 8.9061 8.9061 9.2709 9.2709 9.8206 9.8206 9.9556 9.9556 10.0395 10.0395 10.4948 10.4948 10.6635 10.6635 10.8592 10.8592 11.4000 11.4000 13.6623 13.6623 14.9736 14.9736 16.5905 16.5905 17.0728 17.0728 17.8022 17.8022 k = 0.4432 0.2559-0.0000 ( 4368 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2495 -36.2495 -36.2314 -36.2314 -36.1655 -36.1655 0.7026 0.7026 1.1438 1.1438 6.2485 6.2485 7.5527 7.5527 7.9281 7.9281 8.3647 8.3647 8.5604 8.5604 8.9449 8.9449 9.3155 9.3155 9.7908 9.7908 9.9543 9.9543 10.0016 10.0016 10.4900 10.4900 10.6610 10.6610 10.7939 10.7939 11.3669 11.3669 13.6565 13.6565 14.9856 14.9856 16.6136 16.6136 17.0165 17.0165 17.8075 17.8075 k = 0.4545 0.2624-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.7451 0.7451 1.1149 1.1149 6.2135 6.2135 7.5533 7.5533 7.9467 7.9467 8.3678 8.3678 8.5726 8.5726 8.9812 8.9812 9.3609 9.3609 9.7575 9.7575 9.9416 9.9416 9.9815 9.9815 10.4842 10.4842 10.6572 10.6572 10.7399 10.7399 11.3396 11.3396 13.6518 13.6518 14.9956 14.9956 16.6394 16.6394 16.9633 16.9633 17.8107 17.8107 k = 0.4659 0.2690-0.0000 ( 4378 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.7841 0.7841 1.0866 1.0866 6.1860 6.1860 7.5537 7.5537 7.9605 7.9605 8.3700 8.3700 8.5835 8.5835 9.0128 9.0128 9.4062 9.4062 9.7211 9.7211 9.9207 9.9207 9.9767 9.9767 10.4770 10.4770 10.6498 10.6498 10.7015 10.7015 11.3183 11.3183 13.6480 13.6480 15.0035 15.0035 16.6678 16.6678 16.9135 16.9135 17.8041 17.8041 k = 0.4773 0.2756-0.0000 ( 4370 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8176 0.8176 1.0608 1.0608 6.1663 6.1663 7.5540 7.5540 7.9700 7.9700 8.3715 8.3715 8.5920 8.5920 9.0375 9.0375 9.4495 9.4495 9.6839 9.6839 9.9035 9.9035 9.9757 9.9757 10.4697 10.4697 10.6367 10.6367 10.6823 10.6823 11.3032 11.3032 13.6453 13.6453 15.0092 15.0092 16.6984 16.6984 16.8676 16.8676 17.7931 17.7931 k = 0.4886 0.2821-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8420 0.8420 1.0412 1.0412 6.1544 6.1544 7.5541 7.5541 7.9755 7.9755 8.3723 8.3723 8.5974 8.5974 9.0533 9.0533 9.4857 9.4857 9.6510 9.6510 9.8929 9.8929 9.9755 9.9755 10.4638 10.4638 10.6245 10.6245 10.6757 10.6757 11.2941 11.2941 13.6436 13.6436 15.0126 15.0126 16.7294 16.7294 16.8273 16.8273 17.7859 17.7859 k = 0.5000 0.2887-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8513 0.8513 1.0335 1.0335 6.1504 6.1504 7.5541 7.5541 7.9773 7.9773 8.3726 8.3726 8.5993 8.5993 9.0587 9.0587 9.5019 9.5019 9.6358 9.6358 9.8893 9.8893 9.9754 9.9754 10.4615 10.4615 10.6199 10.6199 10.6741 10.6741 11.2911 11.2911 13.6431 13.6431 15.0138 15.0138 16.7483 16.7483 16.8053 16.8053 17.7834 17.7834 k = 0.5000 0.2887-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8513 0.8513 1.0335 1.0335 6.1504 6.1504 7.5541 7.5541 7.9773 7.9773 8.3726 8.3726 8.5993 8.5993 9.0587 9.0587 9.5019 9.5019 9.6358 9.6358 9.8893 9.8893 9.9754 9.9754 10.4615 10.4615 10.6199 10.6199 10.6741 10.6741 11.2911 11.2911 13.6431 13.6431 15.0138 15.0138 16.7483 16.7483 16.8053 16.8053 17.7834 17.7834 k = 0.4936 0.2998-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8516 0.8516 1.0338 1.0338 6.1511 6.1511 7.5520 7.5520 7.9783 7.9783 8.3682 8.3682 8.6019 8.6019 9.0580 9.0580 9.4898 9.4898 9.6398 9.6398 9.8943 9.8943 9.9806 9.9806 10.4616 10.4616 10.6202 10.6202 10.6741 10.6741 11.2954 11.2954 13.6394 13.6394 14.9953 14.9953 16.7523 16.7523 16.8254 16.8254 17.6424 17.6424 k = 0.4872 0.3109-0.0000 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8526 0.8526 1.0349 1.0349 6.1530 6.1530 7.5455 7.5455 7.9812 7.9812 8.3555 8.3555 8.6091 8.6091 9.0563 9.0563 9.4586 9.4586 9.6482 9.6482 9.9080 9.9080 9.9959 9.9959 10.4619 10.4619 10.6210 10.6210 10.6740 10.6740 11.3083 11.3083 13.6282 13.6282 14.9422 14.9422 16.7652 16.7652 16.8819 16.8819 17.4897 17.4897 k = 0.4808 0.3220-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8542 0.8542 1.0367 1.0367 6.1562 6.1562 7.5351 7.5351 7.9861 7.9861 8.3348 8.3348 8.6195 8.6195 9.0545 9.0545 9.4167 9.4168 9.6567 9.6567 9.9274 9.9274 10.0202 10.0202 10.4623 10.4623 10.6221 10.6221 10.6737 10.6737 11.3294 11.3294 13.6096 13.6096 14.8605 14.8605 16.7871 16.7871 16.9641 16.9641 17.3493 17.3493 k = 0.4744 0.3331-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8565 0.8565 1.0392 1.0392 6.1606 6.1606 7.5212 7.5212 7.9929 7.9929 8.3068 8.3068 8.6313 8.6313 9.0538 9.0538 9.3702 9.3702 9.6640 9.6640 9.9496 9.9496 10.0520 10.0520 10.4629 10.4629 10.6237 10.6237 10.6732 10.6732 11.3582 11.3582 13.5836 13.5836 14.7573 14.7573 16.8181 16.8181 17.0372 17.0372 17.2500 17.2500 k = 0.4679 0.3442-0.0000 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8595 0.8595 1.0422 1.0422 6.1662 6.1662 7.5043 7.5043 8.0015 8.0015 8.2716 8.2716 8.6424 8.6424 9.0557 9.0557 9.3231 9.3231 9.6704 9.6704 9.9726 9.9726 10.0898 10.0898 10.4636 10.4636 10.6256 10.6256 10.6727 10.6727 11.3940 11.3940 13.5499 13.5499 14.6389 14.6389 16.8577 16.8577 16.9962 16.9962 17.2914 17.2914 k = 0.4615 0.3553-0.0000 ( 4370 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2315 -36.2315 -36.1655 -36.1655 0.8631 0.8631 1.0459 1.0459 6.1729 6.1729 7.4850 7.4850 8.0119 8.0119 8.2296 8.2296 8.6510 8.6510 9.0610 9.0610 9.2785 9.2785 9.6762 9.6762 9.9949 9.9949 10.1324 10.1324 10.4646 10.4646 10.6275 10.6275 10.6720 10.6720 11.4357 11.4357 13.5086 13.5086 14.5103 14.5103 16.8795 16.8795 16.9126 16.9126 17.4237 17.4237 k = 0.4551 0.3664-0.0000 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2315 -36.2315 -36.1655 -36.1655 0.8673 0.8673 1.0500 1.0500 6.1807 6.1807 7.4639 7.4639 8.0238 8.0238 8.1814 8.1814 8.6559 8.6559 9.0692 9.0692 9.2399 9.2399 9.6819 9.6819 10.0152 10.0152 10.1794 10.1794 10.4659 10.4659 10.6298 10.6298 10.6712 10.6712 11.4824 11.4824 13.4598 13.4598 14.3753 14.3753 16.7673 16.7673 16.9661 16.9661 17.5802 17.5802 k = 0.4487 0.3775-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2315 -36.2315 -36.1655 -36.1655 0.8721 0.8721 1.0546 1.0546 6.1895 6.1895 7.4414 7.4414 8.0365 8.0365 8.1279 8.1279 8.6562 8.6562 9.0767 9.0767 9.2126 9.2126 9.6876 9.6876 10.0330 10.0330 10.2300 10.2300 10.4675 10.4675 10.6323 10.6323 10.6702 10.6702 11.5329 11.5329 13.4035 13.4035 14.2365 14.2365 16.6556 16.6556 17.0321 17.0321 17.7480 17.7480 k = 0.4423 0.3886-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2315 -36.2315 -36.1655 -36.1655 0.8776 0.8776 1.0595 1.0595 6.1992 6.1992 7.4180 7.4180 8.0422 8.0422 8.0777 8.0777 8.6520 8.6520 9.0760 9.0760 9.2045 9.2045 9.6935 9.6935 10.0479 10.0479 10.2836 10.2836 10.4696 10.4696 10.6355 10.6355 10.6692 10.6692 11.5862 11.5862 13.3399 13.3399 14.0958 14.0958 16.5505 16.5505 17.1068 17.1068 17.9230 17.9230 k = 0.4359 0.3997-0.0000 ( 4364 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2315 -36.2315 -36.1655 -36.1655 0.8837 0.8837 1.0647 1.0647 6.2097 6.2097 7.3943 7.3943 7.9959 7.9959 8.0767 8.0767 8.6436 8.6436 9.0636 9.0636 9.2184 9.2184 9.6998 9.6998 10.0600 10.0600 10.3387 10.3387 10.4726 10.4726 10.6396 10.6396 10.6681 10.6681 11.6411 11.6411 13.2693 13.2693 13.9548 13.9548 16.4531 16.4531 17.1898 17.1898 18.1028 18.1028 k = 0.4295 0.4108-0.0000 ( 4360 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.8904 0.8904 1.0699 1.0699 6.2207 6.2207 7.3707 7.3707 7.9302 7.9302 8.0934 8.0934 8.6318 8.6318 9.0453 9.0453 9.2476 9.2476 9.7067 9.7067 10.0695 10.0695 10.3927 10.3927 10.4778 10.4778 10.6455 10.6455 10.6676 10.6676 11.6969 11.6969 13.1919 13.1919 13.8147 13.8147 16.3637 16.3637 17.2807 17.2807 18.2856 18.2856 k = 0.4231 0.4219-0.0000 ( 4364 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.8977 0.8977 1.0751 1.0751 6.2322 6.2322 7.3474 7.3474 7.8611 7.8611 8.1126 8.1126 8.6173 8.6173 9.0265 9.0265 9.2850 9.2850 9.7141 9.7141 10.0764 10.0764 10.4378 10.4378 10.4902 10.4902 10.6532 10.6532 10.6695 10.6695 11.7525 11.7525 13.1084 13.1084 13.6764 13.6764 16.2822 16.2822 17.3792 17.3792 18.4702 18.4702 k = 0.4167 0.4330-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.9055 0.9055 1.0802 1.0802 6.2440 6.2440 7.3247 7.3247 7.7911 7.7911 8.1332 8.1332 8.6009 8.6009 9.0095 9.0095 9.3269 9.3269 9.7222 9.7222 10.0814 10.0814 10.4602 10.4602 10.5188 10.5188 10.6576 10.6576 10.6840 10.6840 11.8073 11.8073 13.0192 13.0192 13.5406 13.5406 16.2087 16.2087 17.4846 17.4846 18.6553 18.6553 k = 0.4103 0.4441-0.0000 ( 4358 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.9139 0.9139 1.0849 1.0849 6.2558 6.2558 7.3028 7.3028 7.7215 7.7215 8.1547 8.1547 8.5831 8.5831 8.9949 8.9949 9.3710 9.3710 9.7313 9.7313 10.0846 10.0846 10.4685 10.4685 10.5492 10.5492 10.6575 10.6575 10.7180 10.7180 11.8608 11.8608 12.9250 12.9250 13.4082 13.4082 16.1428 16.1428 17.5964 17.5964 18.8396 18.8396 k = 0.4038 0.4552-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9228 0.9228 1.0892 1.0892 6.2675 6.2675 7.2819 7.2819 7.6536 7.6536 8.1769 8.1769 8.5646 8.5646 8.9829 8.9829 9.4155 9.4155 9.7415 9.7415 10.0862 10.0862 10.4732 10.4732 10.5691 10.5691 10.6561 10.6561 10.7694 10.7694 11.9125 11.9125 12.8265 12.8265 13.2798 13.2798 16.0842 16.0842 17.7138 17.7138 19.0218 19.0218 k = 0.3974 0.4663-0.0000 ( 4348 PWs) bands (ev): -71.8569 -71.8569 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9323 0.9323 1.0928 1.0928 6.2787 6.2787 7.2620 7.2620 7.5887 7.5887 8.1995 8.1995 8.5460 8.5460 8.9733 8.9733 9.4591 9.4591 9.7531 9.7531 10.0865 10.0865 10.4771 10.4771 10.5802 10.5802 10.6544 10.6544 10.8330 10.8330 11.9620 11.9620 12.7245 12.7245 13.1562 13.1562 16.0326 16.0326 17.8358 17.8358 19.2004 19.2004 k = 0.3910 0.4774-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9423 0.9423 1.0957 1.0957 6.2891 6.2891 7.2430 7.2430 7.5280 7.5280 8.2220 8.2220 8.5276 8.5276 8.9658 8.9658 9.5004 9.5004 9.7662 9.7662 10.0856 10.0856 10.4806 10.4806 10.5862 10.5862 10.6526 10.6526 10.9039 10.9039 12.0090 12.0090 12.6200 12.6200 13.0380 13.0380 15.9875 15.9875 17.9610 17.9610 19.3732 19.3732 k = 0.3846 0.4885-0.0000 ( 4350 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9527 0.9527 1.0975 1.0975 6.2985 6.2985 7.2250 7.2250 7.4726 7.4726 8.2442 8.2442 8.5098 8.5098 8.9601 8.9601 9.5383 9.5383 9.7814 9.7814 10.0837 10.0837 10.4841 10.4841 10.5896 10.5896 10.6509 10.6509 10.9796 10.9796 12.0531 12.0531 12.5140 12.5140 12.9261 12.9261 15.9485 15.9485 18.0877 18.0877 19.5377 19.5377 k = 0.3782 0.4996-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9637 0.9637 1.0981 1.0981 6.3067 6.3067 7.2079 7.2079 7.4234 7.4234 8.2657 8.2657 8.4931 8.4931 8.9558 8.9558 9.5716 9.5716 9.7988 9.7988 10.0809 10.0809 10.4875 10.4875 10.5914 10.5914 10.6492 10.6492 11.0583 11.0583 12.0934 12.0934 12.4081 12.4081 12.8212 12.8212 15.9152 15.9152 18.2139 18.2139 19.6897 19.6897 k = 0.3718 0.5107-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2317 -36.2317 -36.1655 -36.1655 0.9751 0.9751 1.0974 1.0974 6.3133 6.3133 7.1915 7.1915 7.3815 7.3815 8.2860 8.2860 8.4778 8.4778 8.9529 8.9529 9.5996 9.5996 9.8184 9.8184 10.0770 10.0770 10.4909 10.4909 10.5924 10.5924 10.6477 10.6477 11.1393 11.1393 12.1270 12.1270 12.3063 12.3063 12.7241 12.7241 15.8873 15.8873 18.3367 18.3367 19.8217 19.8217 k = 0.3654 0.5218-0.0000 ( 4350 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2317 -36.2317 -36.1655 -36.1655 0.9868 0.9868 1.0951 1.0951 6.3182 6.3182 7.1760 7.1760 7.3474 7.3474 8.3046 8.3046 8.4643 8.4643 8.9509 8.9509 9.6221 9.6221 9.8396 9.8396 10.0722 10.0722 10.4941 10.4941 10.5930 10.5930 10.6464 10.6464 11.2221 11.2221 12.1315 12.1315 12.2318 12.2318 12.6359 12.6359 15.8643 15.8643 18.4522 18.4522 19.9187 19.9187 k = 0.3590 0.5329-0.0000 ( 4350 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2317 -36.2317 -36.1655 -36.1655 0.9990 0.9990 1.0911 1.0911 6.3215 6.3215 7.1618 7.1618 7.3211 7.3211 8.3206 8.3206 8.4531 8.4531 8.9497 8.9497 9.6394 9.6394 9.8614 9.8614 10.0662 10.0662 10.4971 10.4971 10.5934 10.5934 10.6452 10.6452 11.3059 11.3059 12.0602 12.0602 12.2326 12.2326 12.5573 12.5573 15.8461 15.8461 18.5559 18.5559 19.9637 19.9637 k = 0.3526 0.5440-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0115 1.0115 1.0852 1.0852 6.3232 6.3232 7.1497 7.1497 7.3021 7.3021 8.3333 8.3333 8.4447 8.4447 8.9491 8.9491 9.6519 9.6519 9.8826 9.8826 10.0592 10.0592 10.4997 10.4997 10.5938 10.5938 10.6443 10.6443 11.3902 11.3902 11.9638 11.9638 12.2590 12.2590 12.4894 12.4894 15.8322 15.8322 18.6421 18.6421 19.9737 19.9737 k = 0.3462 0.5551-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0242 1.0242 1.0775 1.0775 6.3238 6.3238 7.1403 7.1403 7.2897 7.2897 8.3422 8.3422 8.4394 8.4394 8.9489 8.9489 9.6604 9.6604 9.9013 9.9013 10.0515 10.0515 10.5018 10.5018 10.5942 10.5942 10.6437 10.6437 11.4735 11.4735 11.8682 11.8682 12.2874 12.2874 12.4331 12.4331 15.8225 15.8225 18.7057 18.7057 19.9825 19.9825 k = 0.3397 0.5662-0.0000 ( 4360 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0366 1.0366 1.0682 1.0682 6.3237 6.3237 7.1344 7.1344 7.2829 7.2829 8.3469 8.3469 8.4370 8.4370 8.9490 8.9490 9.6653 9.6653 9.9152 9.9152 10.0447 10.0447 10.5031 10.5031 10.5946 10.5946 10.6433 10.6433 11.5506 11.5506 11.7824 11.7824 12.3133 12.3133 12.3907 12.3907 15.8168 15.8168 18.7434 18.7434 20.0009 20.0009 k = 0.3333 0.5774-0.0000 ( 4368 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0443 1.0443 1.0615 1.0615 6.3234 6.3234 7.1323 7.1323 7.2807 7.2807 8.3482 8.3482 8.4366 8.4366 8.9490 8.9490 9.6669 9.6669 9.9206 9.9206 10.0416 10.0416 10.5036 10.5036 10.5948 10.5948 10.6431 10.6431 11.5929 11.5929 11.7368 11.7368 12.3266 12.3266 12.3718 12.3718 15.8149 15.8149 18.7553 18.7553 20.0147 20.0147 k = 0.3333 0.5774-0.0000 ( 4368 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0443 1.0443 1.0615 1.0615 6.3234 6.3234 7.1323 7.1323 7.2807 7.2807 8.3482 8.3482 8.4366 8.4366 8.9490 8.9490 9.6669 9.6669 9.9206 9.9206 10.0416 10.0416 10.5036 10.5036 10.5948 10.5948 10.6431 10.6431 11.5929 11.5929 11.7368 11.7368 12.3266 12.3266 12.3718 12.3718 15.8149 15.8149 18.7553 18.7553 20.0147 20.0147 k = 0.3268 0.5660-0.0000 ( 4358 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0351 1.0351 1.0696 1.0696 6.3239 6.3239 7.1344 7.1344 7.2828 7.2828 8.3472 8.3472 8.4365 8.4365 8.9489 8.9489 9.6652 9.6652 9.9143 9.9143 10.0455 10.0455 10.5030 10.5030 10.5944 10.5944 10.6433 10.6433 11.5519 11.5519 11.7817 11.7817 12.3181 12.3181 12.3861 12.3861 15.8168 15.8168 18.7446 18.7446 19.9909 19.9909 k = 0.3203 0.5547-0.0000 ( 4358 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0180 1.0180 1.0832 1.0832 6.3259 6.3259 7.1404 7.1404 7.2883 7.2883 8.3451 8.3451 8.4353 8.4353 8.9485 8.9485 9.6599 9.6599 9.8964 9.8964 10.0568 10.0568 10.5012 10.5012 10.5927 10.5927 10.6437 10.6437 11.4837 11.4837 11.8621 11.8621 12.3109 12.3109 12.4105 12.4105 15.8225 15.8225 18.7160 18.7160 19.9289 19.9289 k = 0.3137 0.5434-0.0000 ( 4356 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 0.9974 0.9974 1.0979 1.0979 6.3302 6.3302 7.1500 7.1500 7.2971 7.2971 8.3424 8.3424 8.4320 8.4320 8.9475 8.9475 9.6501 9.6501 9.8705 9.8705 10.0730 10.0730 10.4978 10.4978 10.5888 10.5888 10.6445 10.6445 11.4189 11.4189 11.9490 11.9490 12.3135 12.3135 12.4363 12.4363 15.8320 15.8320 18.6750 18.6750 19.8500 19.8500 k = 0.3072 0.5321-0.0000 ( 4352 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2317 -36.2317 -36.1655 -36.1655 0.9739 0.9739 1.1130 1.1130 6.3374 6.3374 7.1628 7.1628 7.3088 7.3088 8.3393 8.3393 8.4262 8.4262 8.9459 8.9459 9.6345 9.6345 9.8411 9.8411 10.0924 10.0924 10.4922 10.4922 10.5823 10.5823 10.6455 10.6455 11.3639 11.3639 12.0371 12.0371 12.3268 12.3268 12.4625 12.4625 15.8451 15.8451 18.6257 18.6257 19.7647 19.7647 k = 0.3007 0.5207-0.0000 ( 4352 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2317 -36.2317 -36.1655 -36.1655 0.9476 0.9476 1.1285 1.1285 6.3482 6.3482 7.1783 7.1783 7.3229 7.3229 8.3350 8.3350 8.4183 8.4183 8.9434 8.9434 9.6107 9.6107 9.8124 9.8124 10.1139 10.1139 10.4836 10.4836 10.5731 10.5731 10.6469 10.6469 11.3211 11.3211 12.1240 12.1240 12.3510 12.3510 12.4890 12.4890 15.8620 15.8620 18.5715 18.5715 19.6775 19.6775 k = 0.2941 0.5094-0.0000 ( 4348 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.9185 0.9185 1.1442 1.1442 6.3630 6.3630 7.1962 7.1962 7.3393 7.3393 8.3281 8.3281 8.4095 8.4095 8.9401 8.9401 9.5768 9.5768 9.7881 9.7881 10.1371 10.1371 10.4703 10.4703 10.5622 10.5622 10.6486 10.6486 11.2919 11.2919 12.2077 12.2077 12.3864 12.3864 12.5159 12.5159 15.8826 15.8826 18.5145 18.5145 19.5905 19.5905 k = 0.2876 0.4981-0.0000 ( 4354 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.8867 0.8867 1.1602 1.1602 6.3823 6.3823 7.2159 7.2159 7.3577 7.3577 8.3159 8.3159 8.4025 8.4025 8.9357 8.9357 9.5323 9.5323 9.7701 9.7701 10.1616 10.1616 10.4509 10.4509 10.5515 10.5515 10.6506 10.6506 11.2763 11.2763 12.2854 12.2854 12.4342 12.4342 12.5435 12.5435 15.9071 15.9071 18.4562 18.4562 19.5048 19.5048 k = 0.2810 0.4868-0.0000 ( 4356 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2498 -36.2498 -36.2316 -36.2316 -36.1655 -36.1655 0.8524 0.8524 1.1764 1.1764 6.4063 6.4063 7.2370 7.2370 7.3779 7.3779 8.2961 8.2961 8.3995 8.3995 8.9303 8.9303 9.4787 9.4787 9.7580 9.7580 10.1874 10.1874 10.4248 10.4248 10.5425 10.5425 10.6529 10.6529 11.2735 11.2735 12.3546 12.3546 12.4952 12.4952 12.5724 12.5724 15.9355 15.9355 18.3978 18.3978 19.4213 19.4213 k = 0.2745 0.4755-0.0000 ( 4364 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.8156 0.8156 1.1928 1.1928 6.4352 6.4352 7.2592 7.2592 7.3999 7.3999 8.2683 8.2683 8.4010 8.4010 8.9238 8.9238 9.4182 9.4182 9.7509 9.7509 10.2143 10.2143 10.3932 10.3932 10.5356 10.5356 10.6555 10.6555 11.2819 11.2819 12.4157 12.4157 12.5658 12.5658 12.6043 12.6043 15.9679 15.9679 18.3401 18.3401 19.3404 19.3404 k = 0.2680 0.4641-0.0000 ( 4372 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.7766 0.7766 1.2094 1.2094 6.4689 6.4689 7.2819 7.2819 7.4234 7.4234 8.2334 8.2334 8.4065 8.4065 8.9163 8.9163 9.3531 9.3531 9.7477 9.7477 10.2419 10.2419 10.3582 10.3582 10.5305 10.5305 10.6584 10.6584 11.2999 11.2999 12.4718 12.4718 12.6248 12.6248 12.6566 12.6566 16.0043 16.0043 18.2836 18.2836 19.2625 19.2625 k = 0.2614 0.4528-0.0000 ( 4374 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2497 -36.2497 -36.2316 -36.2316 -36.1655 -36.1655 0.7354 0.7354 1.2261 1.2261 6.5076 6.5076 7.3047 7.3047 7.4485 7.4485 8.1925 8.1925 8.4150 8.4150 8.9077 8.9077 9.2849 9.2849 9.7476 9.7476 10.2682 10.2682 10.3238 10.3238 10.5267 10.5267 10.6618 10.6618 11.3257 11.3257 12.5252 12.5252 12.6616 12.6616 12.7366 12.7366 16.0451 16.0451 18.2286 18.2286 19.1878 19.1878 k = 0.2549 0.4415-0.0000 ( 4376 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.6923 0.6923 1.2430 1.2430 6.5510 6.5510 7.3271 7.3271 7.4751 7.4751 8.1466 8.1466 8.4261 8.4261 8.8981 8.8981 9.2149 9.2149 9.7502 9.7502 10.2704 10.2704 10.3139 10.3139 10.5238 10.5238 10.6656 10.6656 11.3579 11.3579 12.5768 12.5768 12.6977 12.6977 12.8207 12.8207 16.0902 16.0902 18.1754 18.1754 19.1160 19.1160 k = 0.2484 0.4302-0.0000 ( 4376 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.6475 0.6475 1.2599 1.2599 6.5992 6.5992 7.3486 7.3486 7.5031 7.5031 8.0967 8.0967 8.4393 8.4393 8.8875 8.8875 9.1442 9.1442 9.7553 9.7553 10.2380 10.2380 10.3401 10.3401 10.5218 10.5218 10.6699 10.6699 11.3952 11.3952 12.6269 12.6269 12.7360 12.7360 12.9050 12.9050 16.1400 16.1400 18.1243 18.1243 19.0469 19.0469 k = 0.2418 0.4189-0.0000 ( 4376 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2495 -36.2495 -36.2315 -36.2315 -36.1655 -36.1655 0.6011 0.6011 1.2769 1.2769 6.6517 6.6517 7.3686 7.3686 7.5322 7.5322 8.0438 8.0438 8.4546 8.4546 8.8759 8.8759 9.0740 9.0740 9.7628 9.7628 10.2021 10.2021 10.3716 10.3716 10.5203 10.5203 10.6750 10.6750 11.4364 11.4364 12.6753 12.6753 12.7768 12.7768 12.9884 12.9884 16.1943 16.1943 18.0753 18.0753 18.9796 18.9796 k = 0.2353 0.4075-0.0000 ( 4374 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2495 -36.2495 -36.2314 -36.2314 -36.1654 -36.1654 0.5535 0.5535 1.2940 1.2940 6.7083 6.7083 7.3866 7.3866 7.5620 7.5620 7.9890 7.9890 8.4716 8.4716 8.8627 8.8627 9.0054 9.0054 9.7724 9.7724 10.1667 10.1667 10.4044 10.4044 10.5194 10.5194 10.6811 10.6811 11.4807 11.4807 12.7221 12.7221 12.8201 12.8201 13.0701 13.0701 16.2535 16.2535 18.0286 18.0286 18.9129 18.9129 k = 0.2288 0.3962-0.0000 ( 4378 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2494 -36.2494 -36.2314 -36.2314 -36.1654 -36.1654 0.5047 0.5047 1.3111 1.3111 6.7688 6.7688 7.4020 7.4020 7.5917 7.5917 7.9341 7.9341 8.4903 8.4903 8.8464 8.8464 8.9410 8.9410 9.7840 9.7840 10.1326 10.1326 10.4373 10.4373 10.5190 10.5190 10.6884 10.6884 11.5273 11.5273 12.7678 12.7678 12.8654 12.8654 13.1497 13.1497 16.3177 16.3177 17.9841 17.9841 18.8446 18.8446 k = 0.2222 0.3849-0.0000 ( 4382 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2494 -36.2494 -36.2313 -36.2313 -36.1654 -36.1654 0.4550 0.4550 1.3282 1.3282 6.8325 6.8325 7.4142 7.4142 7.6194 7.6194 7.8818 7.8818 8.5104 8.5104 8.8206 8.8206 8.8880 8.8880 9.7976 9.7976 10.1001 10.1001 10.4697 10.4697 10.5194 10.5194 10.6976 10.6976 11.5757 11.5757 12.8126 12.8126 12.9121 12.9121 13.2264 13.2264 16.3870 16.3870 17.9420 17.9420 18.7721 18.7721 k = 0.2157 0.3736-0.0000 ( 4378 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2493 -36.2493 -36.2313 -36.2313 -36.1654 -36.1654 0.4047 0.4047 1.3453 1.3453 6.8991 6.8991 7.4219 7.4219 7.6412 7.6412 7.8373 7.8373 8.5316 8.5316 8.7764 8.7764 8.8565 8.8565 9.8133 9.8133 10.0692 10.0692 10.4990 10.4990 10.5223 10.5223 10.7093 10.7093 11.6251 11.6251 12.8571 12.8571 12.9596 12.9596 13.2999 13.2999 16.4616 16.4616 17.9021 17.9021 18.6932 18.6932 k = 0.2092 0.3623-0.0000 ( 4374 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2493 -36.2493 -36.2313 -36.2313 -36.1654 -36.1654 0.3539 0.3539 1.3623 1.3623 6.9679 6.9679 7.4233 7.4233 7.6496 7.6496 7.8100 7.8100 8.5529 8.5529 8.7228 8.7228 8.8391 8.8391 9.8310 9.8310 10.0396 10.0396 10.5139 10.5139 10.5378 10.5378 10.7247 10.7247 11.6751 11.6751 12.9012 12.9012 13.0075 13.0075 13.3698 13.3698 16.5415 16.5415 17.8646 17.8646 18.6063 18.6063 k = 0.2026 0.3509-0.0000 ( 4383 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6744 -40.6744 -36.2785 -36.2785 -36.2492 -36.2492 -36.2312 -36.2312 -36.1654 -36.1654 0.3029 0.3029 1.3793 1.3793 7.0381 7.0381 7.4154 7.4154 7.6401 7.6401 7.8074 7.8074 8.5713 8.5713 8.6729 8.6729 8.8267 8.8267 9.8507 9.8507 10.0115 10.0115 10.5170 10.5170 10.5620 10.5620 10.7446 10.7446 11.7252 11.7252 12.9449 12.9449 13.0560 13.0560 13.4357 13.4357 16.6269 16.6269 17.8292 17.8292 18.5117 18.5117 k = 0.1961 0.3396-0.0000 ( 4385 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6743 -40.6743 -36.2785 -36.2785 -36.2491 -36.2491 -36.2312 -36.2312 -36.1654 -36.1654 0.2518 0.2518 1.3962 1.3962 7.1086 7.1086 7.3950 7.3950 7.6234 7.6234 7.8224 7.8224 8.5727 8.5727 8.6443 8.6443 8.8170 8.8170 9.8723 9.8723 9.9849 9.9849 10.5187 10.5187 10.5838 10.5838 10.7701 10.7701 11.7752 11.7752 12.9878 12.9878 13.1053 13.1053 13.4971 13.4971 16.7178 16.7178 17.7960 17.7960 18.4108 18.4108 k = 0.1895 0.3283-0.0000 ( 4389 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2490 -36.2490 -36.2311 -36.2311 -36.1654 -36.1654 0.2009 0.2009 1.4130 1.4130 7.1778 7.1778 7.3606 7.3606 7.6121 7.6121 7.8437 7.8437 8.5433 8.5433 8.6528 8.6528 8.8095 8.8095 9.8957 9.8957 9.9598 9.9598 10.5203 10.5203 10.6015 10.6015 10.8011 10.8011 11.8246 11.8246 13.0291 13.0291 13.1561 13.1561 13.5537 13.5537 16.8143 16.8143 17.7648 17.7648 18.3055 18.3055 k = 0.1830 0.3170-0.0000 ( 4389 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2490 -36.2490 -36.2311 -36.2311 -36.1653 -36.1653 0.1502 0.1502 1.4296 1.4296 7.2427 7.2427 7.3158 7.3158 7.6109 7.6109 7.8644 7.8644 8.5073 8.5073 8.6754 8.6754 8.8044 8.8044 9.9190 9.9190 9.9382 9.9382 10.5222 10.5222 10.6155 10.6155 10.8370 10.8370 11.8731 11.8731 13.0684 13.0684 13.2088 13.2088 13.6052 13.6052 16.9163 16.9163 17.7351 17.7351 18.1977 18.1977 k = 0.1765 0.3057-0.0000 ( 4385 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6743 -40.6743 -36.2785 -36.2785 -36.2489 -36.2489 -36.2310 -36.2310 -36.1653 -36.1653 0.1000 0.1000 1.4461 1.4461 7.2550 7.2550 7.3097 7.3097 7.6206 7.6206 7.8808 7.8808 8.4771 8.4771 8.7010 8.7010 8.8026 8.8026 9.9101 9.9101 9.9523 9.9523 10.5242 10.5242 10.6267 10.6267 10.8770 10.8770 11.9206 11.9206 13.1052 13.1052 13.2640 13.2640 13.6513 13.6513 17.0237 17.0237 17.7066 17.7066 18.0894 18.0894 k = 0.1699 0.2943-0.0000 ( 4379 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2488 -36.2488 -36.2310 -36.2310 -36.1653 -36.1653 0.0505 0.0505 1.4623 1.4623 7.1989 7.1989 7.3580 7.3580 7.6418 7.6418 7.8901 7.8901 8.4568 8.4568 8.7258 8.7258 8.8056 8.8056 9.8889 9.8889 9.9821 9.9821 10.5266 10.5266 10.6357 10.6357 10.9201 10.9201 11.9667 11.9667 13.1394 13.1394 13.3216 13.3216 13.6919 13.6919 17.1361 17.1361 17.6781 17.6781 17.9828 17.9828 k = 0.1634 0.2830-0.0000 ( 4375 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2487 -36.2487 -36.2309 -36.2309 -36.1653 -36.1653 0.0018 0.0018 1.4783 1.4783 7.1387 7.1387 7.3956 7.3956 7.6755 7.6755 7.8905 7.8905 8.4479 8.4479 8.7468 8.7468 8.8162 8.8162 9.8682 9.8682 10.0149 10.0149 10.5293 10.5293 10.6434 10.6434 10.9653 10.9653 12.0112 12.0112 13.1711 13.1711 13.3816 13.3816 13.7269 13.7269 17.2527 17.2527 17.6476 17.6476 17.8814 17.8814 k = 0.1569 0.2717-0.0000 ( 4375 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7088 -40.7088 -40.6742 -40.6742 -36.2785 -36.2785 -36.2487 -36.2487 -36.2308 -36.2308 -36.1653 -36.1653 -0.0460 -0.0460 1.4940 1.4940 7.0775 7.0775 7.4202 7.4202 7.7202 7.7202 7.8820 7.8820 8.4508 8.4508 8.7622 8.7622 8.8362 8.8362 9.8484 9.8484 10.0505 10.0505 10.5324 10.5324 10.6501 10.6501 11.0122 11.0122 12.0541 12.0541 13.2008 13.2008 13.4435 13.4435 13.7565 13.7565 17.3694 17.3694 17.6121 17.6121 17.7924 17.7924 k = 0.1503 0.2604-0.0000 ( 4365 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2486 -36.2486 -36.2308 -36.2308 -36.1653 -36.1653 -0.0927 -0.0927 1.5095 1.5095 7.0165 7.0165 7.4341 7.4341 7.7713 7.7713 7.8664 7.8664 8.4644 8.4644 8.7736 8.7736 8.8637 8.8637 9.8296 9.8296 10.0889 10.0889 10.5358 10.5358 10.6561 10.6561 11.0601 11.0601 12.0953 12.0953 13.2288 13.2288 13.5067 13.5067 13.7810 13.7810 17.4561 17.4561 17.5916 17.5916 17.7260 17.7260 k = 0.1438 0.2491-0.0000 ( 4365 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2485 -36.2485 -36.2307 -36.2307 -36.1652 -36.1652 -0.1383 -0.1383 1.5246 1.5246 6.9562 6.9562 7.4405 7.4405 7.8146 7.8146 7.8555 7.8555 8.4866 8.4866 8.7844 8.7844 8.8955 8.8955 9.8118 9.8118 10.1301 10.1301 10.5397 10.5397 10.6618 10.6618 11.1088 11.1088 12.1346 12.1346 13.2556 13.2556 13.5701 13.5701 13.8014 13.8014 17.4210 17.4210 17.6669 17.6669 17.6930 17.6930 k = 0.1373 0.2377-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2484 -36.2484 -36.2307 -36.2307 -36.1652 -36.1652 -0.1825 -0.1825 1.5393 1.5393 6.8972 6.8972 7.4418 7.4418 7.8042 7.8042 7.8936 7.8936 8.5152 8.5152 8.7965 8.7965 8.9298 8.9298 9.7951 9.7951 10.1741 10.1741 10.5441 10.5441 10.6673 10.6673 11.1577 11.1577 12.1720 12.1720 13.2818 13.2818 13.6318 13.6318 13.8194 13.8194 17.3305 17.3305 17.6542 17.6542 17.8104 17.8104 k = 0.1307 0.2264-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6741 -40.6741 -36.2785 -36.2785 -36.2483 -36.2483 -36.2306 -36.2306 -36.1652 -36.1652 -0.2253 -0.2253 1.5537 1.5537 6.8398 6.8398 7.4395 7.4395 7.7753 7.7753 7.9455 7.9455 8.5484 8.5484 8.8106 8.8106 8.9655 8.9655 9.7793 9.7793 10.2208 10.2208 10.5494 10.5494 10.6730 10.6730 11.2067 11.2067 12.2073 12.2073 13.3078 13.3078 13.6878 13.6878 13.8390 13.8390 17.2277 17.2277 17.6347 17.6347 17.9532 17.9532 k = 0.1242 0.2151-0.0000 ( 4381 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2483 -36.2483 -36.2306 -36.2306 -36.1652 -36.1652 -0.2665 -0.2665 1.5676 1.5676 6.7843 6.7843 7.4348 7.4348 7.7434 7.7434 7.9952 7.9952 8.5846 8.5846 8.8268 8.8268 9.0023 9.0023 9.7646 9.7646 10.2695 10.2695 10.5557 10.5557 10.6789 10.6789 11.2554 11.2554 12.2407 12.2407 13.3341 13.3341 13.7307 13.7307 13.8679 13.8679 17.1204 17.1204 17.6178 17.6178 18.1028 18.1028 k = 0.1176 0.2038-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2482 -36.2482 -36.2305 -36.2305 -36.1652 -36.1652 -0.3062 -0.3062 1.5811 1.5811 6.7308 6.7308 7.4281 7.4281 7.7109 7.7109 8.0405 8.0405 8.6228 8.6228 8.8453 8.8453 9.0399 9.0399 9.7511 9.7511 10.3194 10.3194 10.5640 10.5640 10.6858 10.6858 11.3038 11.3038 12.2720 12.2720 13.3609 13.3609 13.7548 13.7548 13.9122 13.9122 17.0112 17.0112 17.6009 17.6009 18.2572 18.2572 k = 0.1111 0.1925-0.0000 ( 4365 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7087 -40.7087 -40.6740 -40.6740 -36.2785 -36.2785 -36.2481 -36.2481 -36.2305 -36.2305 -36.1652 -36.1652 -0.3442 -0.3442 1.5940 1.5940 6.6795 6.6795 7.4200 7.4200 7.6786 7.6786 8.0808 8.0808 8.6618 8.6618 8.8655 8.8655 9.0780 9.0780 9.7387 9.7387 10.3686 10.3686 10.5749 10.5749 10.6940 10.6940 11.3515 11.3515 12.3012 12.3012 13.3881 13.3881 13.7642 13.7642 13.9685 13.9685 16.9008 16.9008 17.5809 17.5809 18.4071 18.4071 k = 0.1046 0.1811-0.0000 ( 4369 PWs) bands (ev): -71.8570 -71.8570 -71.8447 -71.8447 -40.7086 -40.7086 -40.6740 -40.6740 -36.2785 -36.2785 -36.2480 -36.2480 -36.2304 -36.2304 -36.1651 -36.1651 -0.3803 -0.3803 1.6065 1.6065 6.6306 6.6306 7.4108 7.4108 7.6472 7.6472 8.1159 8.1159 8.7011 8.7011 8.8869 8.8869 9.1162 9.1162 9.7275 9.7275 10.4140 10.4140 10.5899 10.5899 10.7051 10.7051 11.3985 11.3985 12.3285 12.3285 13.4153 13.4153 13.7668 13.7668 14.0301 14.0301 16.7898 16.7898 17.5534 17.5534 18.3211 18.3211 k = 0.0980 0.1698-0.0000 ( 4375 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2480 -36.2480 -36.2304 -36.2304 -36.1651 -36.1651 -0.4147 -0.4147 1.6183 1.6183 6.5843 6.5843 7.4008 7.4008 7.6173 7.6173 8.1460 8.1460 8.7399 8.7399 8.9090 8.9090 9.1543 9.1543 9.7176 9.7176 10.4519 10.4519 10.6097 10.6097 10.7213 10.7213 11.4448 11.4448 12.3537 12.3537 13.4413 13.4413 13.7681 13.7681 14.0931 14.0931 16.6783 16.6783 17.5123 17.5123 18.1891 18.1891 k = 0.0915 0.1585-0.0000 ( 4381 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2479 -36.2479 -36.2303 -36.2303 -36.1651 -36.1651 -0.4470 -0.4470 1.6296 1.6296 6.5405 6.5405 7.3901 7.3901 7.5890 7.5890 8.1714 8.1714 8.7778 8.7778 8.9312 8.9312 9.1919 9.1919 9.7091 9.7091 10.4798 10.4798 10.6316 10.6316 10.7471 10.7471 11.4906 11.4906 12.3769 12.3769 13.4642 13.4642 13.7728 13.7728 14.1555 14.1555 16.5663 16.5663 17.4498 17.4498 18.0821 18.0821 k = 0.0850 0.1472-0.0000 ( 4393 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2478 -36.2478 -36.2303 -36.2303 -36.1651 -36.1651 -0.4775 -0.4775 1.6403 1.6403 6.4994 6.4994 7.3790 7.3790 7.5627 7.5627 8.1927 8.1927 8.8143 8.8143 8.9529 8.9529 9.2286 9.2286 9.7019 9.7019 10.4988 10.4988 10.6506 10.6506 10.7855 10.7855 11.5361 11.5361 12.3982 12.3982 13.4814 13.4814 13.7852 13.7852 14.2160 14.2160 16.4538 16.4538 17.3613 17.3613 18.0067 18.0067 k = 0.0784 0.1358-0.0000 ( 4397 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6739 -40.6739 -36.2785 -36.2785 -36.2478 -36.2478 -36.2302 -36.2302 -36.1651 -36.1651 -0.5058 -0.5058 1.6503 1.6503 6.4611 6.4611 7.3675 7.3675 7.5385 7.5385 8.2103 8.2103 8.8490 8.8490 8.9737 8.9737 9.2638 9.2638 9.6964 9.6964 10.5115 10.5115 10.6645 10.6645 10.8345 10.8345 11.5817 11.5817 12.4176 12.4176 13.4906 13.4906 13.8089 13.8089 14.2737 14.2737 16.3408 16.3408 17.2497 17.2497 17.9612 17.9612 k = 0.0719 0.1245-0.0000 ( 4393 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2477 -36.2477 -36.2302 -36.2302 -36.1651 -36.1651 -0.5321 -0.5321 1.6596 1.6596 6.4257 6.4257 7.3560 7.3560 7.5165 7.5165 8.2250 8.2250 8.8817 8.8817 8.9934 8.9934 9.2972 9.2972 9.6927 9.6927 10.5205 10.5205 10.6747 10.6747 10.8890 10.8890 11.6279 11.6279 12.4351 12.4351 13.4914 13.4914 13.8452 13.8452 14.3278 14.3278 16.2271 16.2272 17.1231 17.1231 17.9383 17.9383 k = 0.0654 0.1132-0.0000 ( 4397 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2477 -36.2477 -36.2302 -36.2302 -36.1651 -36.1651 -0.5562 -0.5562 1.6682 1.6682 6.3931 6.3931 7.3445 7.3445 7.4968 7.4968 8.2370 8.2370 8.9118 8.9118 9.0119 9.0119 9.3281 9.3281 9.6906 9.6906 10.5271 10.5271 10.6825 10.6825 10.9445 10.9445 11.6750 11.6750 12.4509 12.4509 13.4853 13.4853 13.8932 13.8932 14.3778 14.3778 16.1130 16.1130 16.9901 16.9901 17.9303 17.9303 k = 0.0588 0.1019-0.0000 ( 4393 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2476 -36.2476 -36.2301 -36.2301 -36.1651 -36.1651 -0.5782 -0.5782 1.6761 1.6761 6.3635 6.3635 7.3333 7.3333 7.4792 7.4792 8.2468 8.2468 8.9392 8.9392 9.0289 9.0289 9.3561 9.3561 9.6904 9.6904 10.5322 10.5322 10.6889 10.6889 10.9978 10.9978 11.7233 11.7233 12.4649 12.4649 13.4747 13.4747 13.9512 13.9512 14.4232 14.4232 15.9986 15.9986 16.8572 16.8572 17.9315 17.9315 k = 0.0523 0.0906-0.0000 ( 4399 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2476 -36.2476 -36.2301 -36.2301 -36.1650 -36.1650 -0.5980 -0.5980 1.6832 1.6832 6.3369 6.3369 7.3225 7.3225 7.4639 7.4639 8.2548 8.2548 8.9636 8.9636 9.0445 9.0445 9.3808 9.3808 9.6918 9.6918 10.5363 10.5363 10.6945 10.6945 11.0466 11.0466 11.7727 11.7727 12.4773 12.4773 13.4617 13.4617 14.0169 14.0169 14.4636 14.4636 15.8840 15.8840 16.7292 16.7292 17.9378 17.9378 k = 0.0458 0.0792-0.0000 ( 4391 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7086 -40.7086 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2301 -36.2301 -36.1650 -36.1650 -0.6154 -0.6154 1.6895 1.6895 6.3134 6.3134 7.3125 7.3125 7.4507 7.4507 8.2614 8.2614 8.9849 8.9849 9.0588 9.0588 9.4021 9.4021 9.6949 9.6949 10.5396 10.5396 10.6994 10.6994 11.0895 11.0895 11.8225 11.8225 12.4879 12.4879 13.4480 13.4480 14.0884 14.0884 14.4992 14.4992 15.7699 15.7699 16.6094 16.6094 17.9461 17.9461 k = 0.0392 0.0679-0.0000 ( 4391 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2301 -36.2301 -36.1650 -36.1650 -0.6307 -0.6307 1.6951 1.6951 6.2929 6.2929 7.3034 7.3034 7.4394 7.4394 8.2666 8.2666 9.0029 9.0029 9.0716 9.0716 9.4197 9.4197 9.6992 9.6992 10.5422 10.5422 10.7036 10.7036 11.1259 11.1259 11.8717 11.8717 12.4971 12.4971 13.4348 13.4348 14.1634 14.1634 14.5305 14.5305 15.6568 15.6568 16.5006 16.5006 17.9539 17.9539 k = 0.0327 0.0566-0.0000 ( 4395 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2475 -36.2475 -36.2300 -36.2300 -36.1650 -36.1650 -0.6436 -0.6436 1.6998 1.6998 6.2755 6.2755 7.2953 7.2953 7.4301 7.4301 8.2708 8.2708 9.0177 9.0177 9.0829 9.0829 9.4339 9.4339 9.7042 9.7042 10.5444 10.5444 10.7073 10.7073 11.1556 11.1556 11.9185 11.9185 12.5046 12.5046 13.4229 13.4229 14.2391 14.2391 14.5586 14.5586 15.5459 15.5459 16.4050 16.4050 17.9586 17.9586 k = 0.0261 0.0453-0.0000 ( 4395 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6542 -0.6542 1.7036 1.7036 6.2613 6.2613 7.2885 7.2885 7.4226 7.4226 8.2740 8.2740 9.0294 9.0294 9.0926 9.0926 9.4449 9.4449 9.7095 9.7095 10.5462 10.5462 10.7105 10.7105 11.1789 11.1789 11.9610 11.9610 12.5105 12.5105 13.4130 13.4130 14.3113 14.3113 14.5862 14.5862 15.4390 15.4390 16.3246 16.3246 17.9585 17.9585 k = 0.0196 0.0340-0.0000 ( 4399 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6624 -0.6624 1.7067 1.7067 6.2502 6.2502 7.2830 7.2830 7.4168 7.4168 8.2764 8.2764 9.0382 9.0382 9.1003 9.1003 9.4530 9.4530 9.7143 9.7143 10.5475 10.5475 10.7131 10.7131 11.1963 11.1963 11.9968 11.9968 12.5151 12.5151 13.4052 13.4052 14.3739 14.3739 14.6168 14.6168 15.3392 15.3392 16.2607 16.2607 17.9535 17.9535 k = 0.0131 0.0226-0.0000 ( 4415 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6684 -0.6684 1.7088 1.7088 6.2422 6.2422 7.2790 7.2790 7.4127 7.4127 8.2780 8.2780 9.0442 9.0442 9.1060 9.1060 9.4585 9.4585 9.7181 9.7181 10.5483 10.5483 10.7148 10.7148 11.2083 11.2083 12.0241 12.0241 12.5183 12.5183 13.3997 13.3997 14.4199 14.4199 14.6522 14.6522 15.2520 15.2520 16.2143 16.2143 17.9461 17.9461 k = 0.0065 0.0113-0.0000 ( 4419 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6719 -0.6719 1.7101 1.7101 6.2375 6.2375 7.2766 7.2766 7.4102 7.4102 8.2790 8.2790 9.0478 9.0478 9.1095 9.1095 9.4616 9.4616 9.7206 9.7206 10.5489 10.5489 10.7160 10.7160 11.2153 11.2153 12.0412 12.0412 12.5201 12.5201 13.3964 13.3964 14.4463 14.4463 14.6858 14.6858 15.1881 15.1881 16.1863 16.1863 17.9399 17.9399 k = 0.0000 0.0000 0.0000 ( 4419 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6731 -0.6731 1.7106 1.7106 6.2359 6.2359 7.2757 7.2757 7.4094 7.4094 8.2793 8.2793 9.0489 9.0489 9.1107 9.1107 9.4627 9.4627 9.7215 9.7215 10.5491 10.5491 10.7163 10.7163 11.2175 11.2175 12.0470 12.0470 12.5208 12.5208 13.3953 13.3953 14.4546 14.4546 14.7006 14.7006 15.1637 15.1637 16.1769 16.1769 17.9375 17.9375 k = 0.0000 0.0000 0.0000 ( 4419 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6737 -40.6737 -36.2785 -36.2785 -36.2474 -36.2474 -36.2300 -36.2300 -36.1650 -36.1650 -0.6731 -0.6731 1.7106 1.7106 6.2359 6.2359 7.2757 7.2757 7.4094 7.4094 8.2793 8.2793 9.0489 9.0489 9.1107 9.1107 9.4627 9.4627 9.7215 9.7215 10.5491 10.5491 10.7163 10.7163 11.2175 11.2175 12.0470 12.0470 12.5208 12.5208 13.3953 13.3953 14.4546 14.4546 14.7006 14.7006 15.1637 15.1637 16.1769 16.1769 17.9375 17.9375 k = 0.0000 0.0000 0.0131 ( 4413 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7085 -40.7085 -40.6738 -40.6738 -36.2784 -36.2784 -36.2474 -36.2474 -36.2300 -36.2300 -36.1651 -36.1651 -0.6718 -0.6718 1.7072 1.7072 6.2408 6.2408 7.2769 7.2769 7.4105 7.4105 8.2807 8.2807 9.0493 9.0493 9.1115 9.1115 9.4607 9.4607 9.7166 9.7166 10.5444 10.5444 10.7124 10.7124 11.2261 11.2261 12.0528 12.0528 12.5160 12.5160 13.3862 13.3862 14.4534 14.4534 14.6997 14.6997 15.1686 15.1686 16.1854 16.1854 17.9382 17.9382 k = 0.0000 0.0000 0.0261 ( 4413 PWs) bands (ev): -71.8571 -71.8571 -71.8447 -71.8447 -40.7084 -40.7084 -40.6739 -40.6739 -36.2782 -36.2782 -36.2474 -36.2474 -36.2300 -36.2300 -36.1654 -36.1654 -0.6681 -0.6681 1.6970 1.6970 6.2552 6.2552 7.2805 7.2805 7.4138 7.4138 8.2849 8.2849 9.0504 9.0504 9.1140 9.1140 9.4549 9.4549 9.7022 9.7022 10.5311 10.5311 10.7008 10.7008 11.2507 11.2507 12.0700 12.0700 12.5012 12.5012 13.3594 13.3594 14.4498 14.4498 14.6969 14.6969 15.1833 15.1833 16.2105 16.2105 17.9403 17.9403 k = 0.0000 0.0000 0.0392 ( 4401 PWs) bands (ev): -71.8570 -71.8570 -71.8448 -71.8448 -40.7083 -40.7083 -40.6740 -40.6740 -36.2777 -36.2777 -36.2473 -36.2473 -36.2301 -36.2301 -36.1658 -36.1658 -0.6619 -0.6619 1.6802 1.6802 6.2792 6.2792 7.2866 7.2866 7.4192 7.4192 8.2920 8.2920 9.0521 9.0521 9.1182 9.1182 9.4453 9.4453 9.6786 9.6786 10.5113 10.5113 10.6823 10.6823 11.2890 11.2890 12.0979 12.0979 12.4768 12.4768 13.3160 13.3160 14.4438 14.4438 14.6924 14.6924 15.2074 15.2074 16.2511 16.2511 17.9439 17.9439 k = 0.0000 0.0000 0.0523 ( 4389 PWs) bands (ev): -71.8569 -71.8569 -71.8448 -71.8448 -40.7081 -40.7081 -40.6742 -40.6742 -36.2771 -36.2771 -36.2472 -36.2472 -36.2302 -36.2302 -36.1665 -36.1665 -0.6533 -0.6533 1.6570 1.6570 6.3124 6.3124 7.2950 7.2950 7.4268 7.4268 8.3017 8.3017 9.0543 9.0543 9.1240 9.1240 9.4325 9.4325 9.6464 9.6464 10.4868 10.4868 10.6575 10.6575 11.3381 11.3381 12.1354 12.1354 12.4433 12.4433 13.2579 13.2579 14.4353 14.4353 14.6860 14.6860 15.2406 15.2406 16.3055 16.3055 17.9489 17.9489 k = 0.0000 0.0000 0.0654 ( 4401 PWs) bands (ev): -71.8569 -71.8569 -71.8450 -71.8450 -40.7078 -40.7078 -40.6744 -40.6744 -36.2764 -36.2764 -36.2471 -36.2471 -36.2303 -36.2303 -36.1673 -36.1673 -0.6421 -0.6421 1.6277 1.6277 6.3543 6.3543 7.3058 7.3058 7.4364 7.4364 8.3141 8.3141 9.0563 9.0563 9.1313 9.1313 9.4166 9.4166 9.6063 9.6063 10.4595 10.4595 10.6277 10.6277 11.3952 11.3952 12.1813 12.1813 12.4016 12.4016 13.1873 13.1873 14.4244 14.4244 14.6776 14.6776 15.2821 15.2821 16.3716 16.3716 17.9554 17.9555 k = 0.0000 0.0000 0.0784 ( 4394 PWs) bands (ev): -71.8567 -71.8567 -71.8451 -71.8451 -40.7075 -40.7075 -40.6747 -40.6747 -36.2754 -36.2754 -36.2469 -36.2469 -36.2305 -36.2305 -36.1683 -36.1683 -0.6285 -0.6285 1.5929 1.5929 6.4047 6.4047 7.3190 7.3190 7.4483 7.4483 8.3290 8.3290 9.0580 9.0580 9.1404 9.1404 9.3984 9.3984 9.5594 9.5594 10.4310 10.4310 10.5940 10.5940 11.4576 11.4576 12.2346 12.2346 12.3525 12.3525 13.1066 13.1066 14.4111 14.4111 14.6674 14.6674 15.3313 15.3313 16.4473 16.4473 17.9635 17.9635 k = 0.0000 0.0000 0.0915 ( 4394 PWs) bands (ev): -71.8566 -71.8566 -71.8452 -71.8452 -40.7072 -40.7072 -40.6750 -40.6750 -36.2743 -36.2743 -36.2467 -36.2467 -36.2306 -36.2306 -36.1694 -36.1694 -0.6125 -0.6125 1.5528 1.5528 6.4628 6.4628 7.3347 7.3347 7.4622 7.4622 8.3463 8.3463 9.0584 9.0584 9.1510 9.1510 9.3788 9.3788 9.5066 9.5066 10.4016 10.4016 10.5572 10.5572 11.5232 11.5232 12.2940 12.2940 12.2967 12.2967 13.0184 13.0184 14.3953 14.3953 14.6552 14.6552 15.3876 15.3876 16.5304 16.5304 17.9730 17.9730 k = 0.0000 0.0000 0.1046 ( 4406 PWs) bands (ev): -71.8565 -71.8565 -71.8453 -71.8453 -40.7068 -40.7068 -40.6754 -40.6754 -36.2730 -36.2730 -36.2465 -36.2465 -36.2308 -36.2308 -36.1707 -36.1707 -0.5941 -0.5941 1.5079 1.5079 6.5282 6.5282 7.3528 7.3528 7.4783 7.4783 8.3659 8.3659 9.0565 9.0565 9.1632 9.1632 9.3592 9.3592 9.4488 9.4488 10.3718 10.3718 10.5180 10.5180 11.5897 11.5897 12.2350 12.2350 12.3585 12.3585 12.9256 12.9256 14.3770 14.3770 14.6409 14.6409 15.4503 15.4503 16.6191 16.6191 17.9841 17.9841 k = 0.0000 0.0000 0.1177 ( 4394 PWs) bands (ev): -71.8563 -71.8563 -71.8455 -71.8455 -40.7063 -40.7063 -40.6759 -40.6759 -36.2716 -36.2716 -36.2463 -36.2463 -36.2311 -36.2311 -36.1722 -36.1722 -0.5732 -0.5732 1.4588 1.4588 6.6003 6.6003 7.3736 7.3736 7.4965 7.4965 8.3876 8.3876 9.0510 9.0510 9.1771 9.1771 9.3414 9.3414 9.3870 9.3870 10.3417 10.3417 10.4774 10.4774 11.6546 11.6546 12.1686 12.1686 12.4272 12.4272 12.8314 12.8314 14.3563 14.3563 14.6248 14.6248 15.5188 15.5188 16.7116 16.7116 17.9968 17.9968 k = 0.0000 0.0000 0.1307 ( 4394 PWs) bands (ev): -71.8562 -71.8562 -71.8456 -71.8456 -40.7058 -40.7058 -40.6763 -40.6763 -36.2700 -36.2700 -36.2461 -36.2461 -36.2313 -36.2313 -36.1739 -36.1739 -0.5499 -0.5499 1.4059 1.4059 6.6783 6.6783 7.3968 7.3968 7.5167 7.5167 8.4112 8.4112 9.0402 9.0402 9.1924 9.1924 9.3220 9.3220 9.3269 9.3269 10.3114 10.3114 10.4357 10.4357 11.7146 11.7146 12.0978 12.0978 12.4992 12.4992 12.7397 12.7397 14.3331 14.3331 14.6065 14.6065 15.5924 15.5924 16.8061 16.8061 18.0111 18.0111 k = 0.0000 0.0000 0.1438 ( 4412 PWs) bands (ev): -71.8560 -71.8560 -71.8458 -71.8458 -40.7052 -40.7052 -40.6769 -40.6769 -36.2683 -36.2683 -36.2458 -36.2458 -36.2316 -36.2316 -36.1757 -36.1757 -0.5242 -0.5242 1.3497 1.3497 6.7615 6.7615 7.4228 7.4228 7.5390 7.5390 8.4361 8.4361 9.0226 9.0226 9.2093 9.2093 9.2545 9.2545 9.3177 9.3177 10.2807 10.2807 10.3933 10.3933 11.7651 11.7651 12.0235 12.0235 12.5739 12.5739 12.6560 12.6560 14.3072 14.3072 14.5860 14.5860 15.6706 15.6706 16.9011 16.9011 18.0272 18.0272 k = 0.0000 0.0000 0.1569 ( 4412 PWs) bands (ev): -71.8558 -71.8558 -71.8461 -71.8461 -40.7046 -40.7046 -40.6775 -40.6775 -36.2664 -36.2664 -36.2455 -36.2455 -36.2319 -36.2319 -36.1776 -36.1776 -0.4962 -0.4962 1.2908 1.2908 6.8492 6.8492 7.4515 7.4515 7.5634 7.5634 8.4625 8.4625 8.9977 8.9977 9.1852 9.1852 9.2276 9.2276 9.3146 9.3146 10.2497 10.2497 10.3507 10.3507 11.7995 11.7995 11.9467 11.9467 12.5875 12.5875 12.6507 12.6507 14.2788 14.2788 14.5634 14.5634 15.7531 15.7531 16.9953 16.9953 18.0450 18.0450 k = 0.0000 0.0000 0.1699 ( 4394 PWs) bands (ev): -71.8555 -71.8555 -71.8463 -71.8463 -40.7040 -40.7040 -40.6781 -40.6781 -36.2644 -36.2644 -36.2452 -36.2452 -36.2322 -36.2322 -36.1797 -36.1797 -0.4659 -0.4659 1.2294 1.2294 6.9407 6.9407 7.4831 7.4831 7.5898 7.5898 8.4899 8.4899 8.9658 8.9658 9.1147 9.1147 9.2474 9.2474 9.3175 9.3175 10.2183 10.2183 10.3081 10.3081 11.8099 11.8099 11.8680 11.8680 12.5429 12.5429 12.7291 12.7291 14.2477 14.2477 14.5386 14.5386 15.8394 15.8394 17.0874 17.0874 18.0647 18.0647 k = 0.0000 0.0000 0.1830 ( 4382 PWs) bands (ev): -71.8553 -71.8553 -71.8465 -71.8465 -40.7033 -40.7033 -40.6787 -40.6787 -36.2622 -36.2622 -36.2449 -36.2449 -36.2325 -36.2325 -36.1819 -36.1819 -0.4332 -0.4332 1.1660 1.1660 7.0350 7.0350 7.5180 7.5180 7.6182 7.6182 8.5177 8.5177 8.9280 8.9280 9.0432 9.0432 9.2686 9.2686 9.3259 9.3259 10.1863 10.1863 10.2654 10.2654 11.7882 11.7882 11.7904 11.7904 12.5287 12.5287 12.8086 12.8086 14.2141 14.2141 14.5115 14.5115 15.9291 15.9291 17.1761 17.1761 18.0862 18.0862 k = 0.0000 0.0000 0.1961 ( 4382 PWs) bands (ev): -71.8550 -71.8550 -71.8468 -71.8468 -40.7026 -40.7026 -40.6794 -40.6794 -36.2599 -36.2599 -36.2445 -36.2445 -36.2329 -36.2329 -36.1843 -36.1843 -0.3983 -0.3983 1.1011 1.1011 7.1310 7.1310 7.5565 7.5565 7.6485 7.6485 8.5451 8.5451 8.8852 8.8852 8.9712 8.9712 9.2912 9.2912 9.3387 9.3387 10.1537 10.1537 10.2229 10.2229 11.7078 11.7078 11.7421 11.7421 12.5447 12.5447 12.8888 12.8888 14.1777 14.1777 14.4820 14.4820 16.0219 16.0219 17.2599 17.2599 18.1098 18.1098 k = 0.0000 0.0000 0.2092 ( 4400 PWs) bands (ev): -71.8548 -71.8548 -71.8470 -71.8470 -40.7018 -40.7018 -40.6801 -40.6801 -36.2575 -36.2575 -36.2441 -36.2441 -36.2333 -36.2333 -36.1868 -36.1868 -0.3611 -0.3611 1.0350 1.0350 7.2275 7.2275 7.5992 7.5992 7.6807 7.6807 8.5718 8.5718 8.8388 8.8388 8.8991 8.8991 9.3151 9.3151 9.3551 9.3551 10.1204 10.1204 10.1804 10.1804 11.6274 11.6274 11.6722 11.6722 12.5843 12.5843 12.9693 12.9693 14.1385 14.1385 14.4500 14.4500 16.1173 16.1173 17.3377 17.3377 18.1354 18.1354 k = 0.0000 0.0000 0.2222 ( 4400 PWs) bands (ev): -71.8545 -71.8545 -71.8473 -71.8473 -40.7010 -40.7010 -40.6809 -40.6809 -36.2550 -36.2550 -36.2437 -36.2437 -36.2336 -36.2336 -36.1893 -36.1893 -0.3218 -0.3218 0.9680 0.9680 7.3229 7.3229 7.6472 7.6472 7.7148 7.7148 8.5969 8.5969 8.7895 8.7895 8.8271 8.8271 9.3403 9.3403 9.3746 9.3746 10.0867 10.0867 10.1383 10.1383 11.5480 11.5480 11.5894 11.5894 12.6399 12.6399 13.0499 13.0499 14.0966 14.0966 14.4156 14.4156 16.2153 16.2153 17.4079 17.4079 18.1632 18.1632 k = 0.0000 0.0000 0.2353 ( 4400 PWs) bands (ev): -71.8542 -71.8542 -71.8476 -71.8476 -40.7002 -40.7002 -40.6817 -40.6817 -36.2524 -36.2524 -36.2433 -36.2433 -36.2341 -36.2341 -36.1920 -36.1920 -0.2802 -0.2802 0.9004 0.9004 7.4152 7.4152 7.7015 7.7016 7.7508 7.7508 8.6196 8.6196 8.7382 8.7382 8.7555 8.7555 9.3667 9.3667 9.3966 9.3966 10.0524 10.0524 10.0965 10.0965 11.4701 11.4701 11.5005 11.5005 12.7054 12.7054 13.1302 13.1302 14.0519 14.0519 14.3786 14.3786 16.3153 16.3153 17.4690 17.4690 18.1933 18.1933 k = 0.0000 0.0000 0.2484 ( 4400 PWs) bands (ev): -71.8539 -71.8539 -71.8479 -71.8479 -40.6993 -40.6993 -40.6825 -40.6825 -36.2497 -36.2497 -36.2429 -36.2429 -36.2345 -36.2345 -36.1948 -36.1948 -0.2365 -0.2365 0.8325 0.8325 7.5021 7.5021 7.7639 7.7639 7.7885 7.7885 8.6385 8.6385 8.6848 8.6848 8.6853 8.6853 9.3943 9.3943 9.4207 9.4207 10.0176 10.0176 10.0551 10.0551 11.3945 11.3945 11.4106 11.4106 12.7769 12.7769 13.2099 13.2099 14.0045 14.0045 14.3391 14.3391 16.4171 16.4171 17.5193 17.5193 18.2259 18.2259 k = 0.0000 0.0000 0.2614 ( 4400 PWs) bands (ev): -71.8536 -71.8536 -71.8482 -71.8482 -40.6985 -40.6985 -40.6834 -40.6834 -36.2469 -36.2469 -36.2425 -36.2425 -36.2349 -36.2349 -36.1977 -36.1977 -0.1908 -0.1908 0.7645 0.7645 7.5820 7.5820 7.8280 7.8280 7.8350 7.8350 8.6127 8.6127 8.6314 8.6314 8.6550 8.6550 9.4232 9.4232 9.4467 9.4467 9.9822 9.9822 10.0140 10.0140 11.3220 11.3220 11.3233 11.3233 12.8520 12.8520 13.2888 13.2888 13.9544 13.9544 14.2969 14.2969 16.5203 16.5203 17.5571 17.5571 18.2610 18.2610 k = 0.0000 0.0000 0.2745 ( 4412 PWs) bands (ev): -71.8533 -71.8533 -71.8485 -71.8485 -40.6976 -40.6976 -40.6843 -40.6843 -36.2440 -36.2440 -36.2420 -36.2420 -36.2354 -36.2354 -36.2006 -36.2006 -0.1430 -0.1430 0.6967 0.6967 7.6546 7.6546 7.8692 7.8692 7.9143 7.9143 8.5436 8.5436 8.5768 8.5768 8.6637 8.6637 9.4530 9.4530 9.4743 9.4743 9.9464 9.9464 9.9733 9.9733 11.2414 11.2414 11.2533 11.2533 12.9290 12.9290 13.3666 13.3666 13.9015 13.9015 14.2522 14.2522 16.6244 16.6244 17.5808 17.5808 18.2989 18.2989 k = 0.0000 0.0000 0.2876 ( 4412 PWs) bands (ev): -71.8530 -71.8530 -71.8489 -71.8489 -40.6966 -40.6966 -40.6852 -40.6852 -36.2416 -36.2416 -36.2411 -36.2411 -36.2358 -36.2358 -36.2036 -36.2036 -0.0933 -0.0933 0.6294 0.6294 7.7213 7.7213 7.9120 7.9120 7.9995 7.9995 8.4749 8.4749 8.5220 8.5220 8.6659 8.6659 9.4839 9.4839 9.5035 9.5035 9.9102 9.9102 9.9331 9.9331 11.1672 11.1672 11.1894 11.1894 13.0069 13.0069 13.4432 13.4432 13.8459 13.8459 14.2047 14.2047 16.7289 16.7289 17.5890 17.5890 18.3396 18.3396 k = 0.0000 0.0000 0.3007 ( 4412 PWs) bands (ev): -71.8527 -71.8527 -71.8492 -71.8492 -40.6957 -40.6957 -40.6861 -40.6861 -36.2411 -36.2411 -36.2380 -36.2380 -36.2363 -36.2363 -36.2066 -36.2066 -0.0416 -0.0416 0.5626 0.5626 7.7841 7.7841 7.9564 7.9564 8.0875 8.0875 8.4073 8.4073 8.4671 8.4671 8.6600 8.6600 9.5159 9.5159 9.5340 9.5340 9.8736 9.8736 9.8933 9.8933 11.1028 11.1028 11.1313 11.1313 13.0848 13.0848 13.5183 13.5183 13.7877 13.7877 14.1547 14.1547 16.8331 16.8331 17.5808 17.5808 18.3833 18.3833 k = 0.0000 0.0000 0.3137 ( 4400 PWs) bands (ev): -71.8523 -71.8523 -71.8495 -71.8495 -40.6948 -40.6948 -40.6870 -40.6870 -36.2406 -36.2406 -36.2368 -36.2368 -36.2350 -36.2350 -36.2097 -36.2097 0.0119 0.0119 0.4965 0.4965 7.8447 7.8447 8.0023 8.0023 8.1754 8.1754 8.3407 8.3407 8.4124 8.4124 8.6450 8.6450 9.5489 9.5489 9.5658 9.5658 9.8368 9.8368 9.8541 9.8541 11.0497 11.0497 11.0801 11.0801 13.1623 13.1623 13.5917 13.5917 13.7269 13.7269 14.1020 14.1020 16.9362 16.9362 17.5563 17.5563 18.4300 18.4300 k = 0.0000 0.0000 0.3268 ( 4400 PWs) bands (ev): -71.8520 -71.8520 -71.8499 -71.8499 -40.6938 -40.6938 -40.6880 -40.6880 -36.2402 -36.2402 -36.2372 -36.2372 -36.2319 -36.2319 -36.2129 -36.2129 0.0672 0.0672 0.4314 0.4314 7.9045 7.9045 8.0497 8.0497 8.2606 8.2606 8.2752 8.2752 8.3581 8.3581 8.6198 8.6198 9.5828 9.5828 9.5987 9.5987 9.7997 9.7997 9.8154 9.8154 11.0091 11.0091 11.0369 11.0369 13.2389 13.2389 13.6633 13.6633 13.6636 13.6636 14.0467 14.0467 17.0373 17.0373 17.5158 17.5158 18.4796 18.4797 k = 0.0000 0.0000 0.3399 ( 4382 PWs) bands (ev): -71.8516 -71.8516 -71.8502 -71.8502 -40.6928 -40.6928 -40.6889 -40.6889 -36.2397 -36.2397 -36.2377 -36.2377 -36.2287 -36.2287 -36.2160 -36.2160 0.1242 0.1242 0.3673 0.3673 7.9644 7.9644 8.0984 8.0984 8.2109 8.2109 8.3044 8.3044 8.3412 8.3412 8.5841 8.5841 9.6176 9.6176 9.6328 9.6328 9.7627 9.7627 9.7775 9.7775 10.9818 10.9818 11.0029 11.0029 13.3143 13.3143 13.5981 13.5981 13.7329 13.7329 13.9888 13.9888 17.1351 17.1351 17.4608 17.4608 18.5324 18.5324 k = 0.0000 0.0000 0.3530 ( 4376 PWs) bands (ev): -71.8512 -71.8512 -71.8505 -71.8505 -40.6918 -40.6918 -40.6899 -40.6899 -36.2392 -36.2392 -36.2382 -36.2382 -36.2256 -36.2256 -36.2192 -36.2192 0.1828 0.1828 0.3045 0.3045 8.0246 8.0246 8.1478 8.1478 8.1483 8.1483 8.2515 8.2515 8.4152 8.4152 8.5377 8.5377 9.6531 9.6531 9.6678 9.6678 9.7258 9.7258 9.7402 9.7402 10.9680 10.9680 10.9793 10.9793 13.3881 13.3881 13.5301 13.5301 13.8004 13.8004 13.9284 13.9284 17.2282 17.2282 17.3931 17.3931 18.5881 18.5881 k = 0.0000 0.0000 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2429 0.2429 0.2429 0.2429 8.0857 8.0857 8.0857 8.0857 8.1993 8.1993 8.1993 8.1993 8.4811 8.4811 8.4811 8.4811 9.6892 9.6892 9.6892 9.6892 9.7035 9.7035 9.7035 9.7035 10.9674 10.9674 10.9674 10.9674 13.4601 13.4601 13.4601 13.4601 13.8656 13.8656 13.8656 13.8656 17.3149 17.3149 17.3149 17.3149 18.6469 18.6469 k = 0.0000 0.0000 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2429 0.2429 0.2429 0.2429 8.0857 8.0857 8.0857 8.0857 8.1993 8.1993 8.1993 8.1993 8.4811 8.4811 8.4811 8.4811 9.6892 9.6892 9.6892 9.6892 9.7035 9.7035 9.7035 9.7035 10.9674 10.9674 10.9674 10.9674 13.4601 13.4601 13.4601 13.4601 13.8656 13.8656 13.8656 13.8656 17.3149 17.3149 17.3149 17.3149 18.6469 18.6469 k = 0.0114 0.0066 0.3660 ( 4376 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2437 0.2437 0.2437 0.2437 8.0815 8.0815 8.0815 8.0815 8.1959 8.1959 8.1959 8.1959 8.4872 8.4872 8.4872 8.4872 9.6878 9.6878 9.6878 9.6878 9.7048 9.7048 9.7048 9.7048 10.9697 10.9697 10.9697 10.9697 13.4560 13.4560 13.4560 13.4560 13.8610 13.8610 13.8610 13.8610 17.3202 17.3202 17.3202 17.3202 18.6415 18.6415 k = 0.0227 0.0131 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2462 0.2462 0.2462 0.2462 8.0684 8.0684 8.0684 8.0684 8.1877 8.1877 8.1877 8.1877 8.5039 8.5039 8.5039 8.5039 9.6844 9.6844 9.6844 9.6844 9.7076 9.7076 9.7076 9.7076 10.9764 10.9764 10.9764 10.9764 13.4436 13.4436 13.4436 13.4436 13.8476 13.8476 13.8476 13.8476 17.3358 17.3358 17.3358 17.3358 18.6206 18.6206 k = 0.0341 0.0197 0.3660 ( 4392 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2503 0.2503 0.2503 0.2503 8.0454 8.0454 8.0454 8.0454 8.1790 8.1790 8.1790 8.1790 8.5279 8.5279 8.5279 8.5279 9.6801 9.6801 9.6801 9.6801 9.7110 9.7110 9.7110 9.7110 10.9876 10.9876 10.9876 10.9876 13.4227 13.4227 13.4227 13.4227 13.8263 13.8263 13.8263 13.8263 17.3605 17.3605 17.3605 17.3605 18.5783 18.5783 k = 0.0455 0.0262 0.3660 ( 4396 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2560 0.2560 0.2560 0.2560 8.0132 8.0132 8.0132 8.0132 8.1724 8.1724 8.1724 8.1724 8.5561 8.5561 8.5561 8.5561 9.6752 9.6752 9.6752 9.6752 9.7146 9.7146 9.7146 9.7146 11.0031 11.0031 11.0031 11.0031 13.3929 13.3929 13.3929 13.3929 13.7983 13.7983 13.7983 13.7983 17.3922 17.3922 17.3922 17.3922 18.5201 18.5201 k = 0.0568 0.0328 0.3660 ( 4400 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2633 0.2633 0.2633 0.2633 7.9737 7.9737 7.9737 7.9737 8.1682 8.1682 8.1682 8.1682 8.5863 8.5863 8.5863 8.5863 9.6700 9.6700 9.6700 9.6700 9.7184 9.7184 9.7184 9.7184 11.0226 11.0226 11.0226 11.0226 13.3541 13.3541 13.3541 13.3541 13.7651 13.7651 13.7651 13.7651 17.4277 17.4277 17.4277 17.4277 18.4576 18.4576 k = 0.0682 0.0394 0.3660 ( 4404 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2722 0.2722 0.2722 0.2722 7.9291 7.9291 7.9291 7.9291 8.1658 8.1658 8.1658 8.1658 8.6172 8.6172 8.6172 8.6172 9.6644 9.6644 9.6644 9.6644 9.7222 9.7222 9.7222 9.7222 11.0460 11.0460 11.0460 11.0460 13.3060 13.3060 13.3060 13.3060 13.7284 13.7284 13.7284 13.7284 17.4628 17.4628 17.4628 17.4628 18.4006 18.4006 k = 0.0795 0.0459 0.3660 ( 4396 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2826 0.2826 0.2826 0.2826 7.8809 7.8809 7.8809 7.8809 8.1646 8.1646 8.1646 8.1646 8.6477 8.6477 8.6477 8.6477 9.6585 9.6585 9.6585 9.6585 9.7260 9.7260 9.7260 9.7260 11.0729 11.0729 11.0729 11.0729 13.2490 13.2490 13.2490 13.2490 13.6894 13.6894 13.6894 13.6894 17.4914 17.4914 17.4914 17.4914 18.3578 18.3578 k = 0.0909 0.0525 0.3660 ( 4388 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2945 0.2945 0.2945 0.2945 7.8303 7.8303 7.8303 7.8303 8.1642 8.1642 8.1642 8.1642 8.6775 8.6775 8.6775 8.6775 9.6524 9.6524 9.6524 9.6524 9.7300 9.7300 9.7300 9.7300 11.1030 11.1030 11.1030 11.1030 13.1836 13.1836 13.1836 13.1836 13.6490 13.6490 13.6490 13.6490 17.5072 17.5072 17.5072 17.5072 18.3369 18.3369 k = 0.1023 0.0590 0.3660 ( 4384 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2389 -36.2389 -36.2389 -36.2389 -36.2224 -36.2224 -36.2224 -36.2224 0.3079 0.3079 0.3079 0.3079 7.7779 7.7779 7.7779 7.7779 8.1644 8.1644 8.1644 8.1644 8.7060 8.7060 8.7060 8.7060 9.6461 9.6461 9.6461 9.6461 9.7341 9.7341 9.7341 9.7341 11.1356 11.1356 11.1356 11.1356 13.1111 13.1111 13.1111 13.1111 13.6079 13.6079 13.6079 13.6079 17.5049 17.5049 17.5049 17.5049 18.3432 18.3432 k = 0.1136 0.0656 0.3660 ( 4384 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2389 -36.2389 -36.2389 -36.2389 -36.2224 -36.2224 -36.2224 -36.2224 0.3228 0.3228 0.3228 0.3228 7.7245 7.7245 7.7245 7.7245 8.1649 8.1649 8.1649 8.1649 8.7332 8.7332 8.7332 8.7332 9.6395 9.6395 9.6395 9.6395 9.7383 9.7383 9.7383 9.7383 11.1702 11.1702 11.1702 11.1702 13.0329 13.0329 13.0329 13.0329 13.5663 13.5663 13.5663 13.5663 17.4832 17.4832 17.4832 17.4832 18.3780 18.3780 k = 0.1250 0.0722 0.3660 ( 4380 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2390 -36.2390 -36.2390 -36.2390 -36.2224 -36.2224 -36.2224 -36.2224 0.3390 0.3390 0.3390 0.3390 7.6703 7.6703 7.6703 7.6703 8.1656 8.1656 8.1656 8.1656 8.7588 8.7588 8.7588 8.7588 9.6327 9.6327 9.6327 9.6327 9.7427 9.7427 9.7427 9.7427 11.2062 11.2062 11.2062 11.2062 12.9507 12.9507 12.9507 12.9507 13.5242 13.5242 13.5242 13.5242 17.4449 17.4449 17.4449 17.4449 18.4381 18.4381 k = 0.1364 0.0787 0.3660 ( 4384 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2390 -36.2390 -36.2390 -36.2390 -36.2224 -36.2224 -36.2224 -36.2224 0.3565 0.3565 0.3565 0.3565 7.6157 7.6157 7.6157 7.6157 8.1665 8.1665 8.1665 8.1665 8.7827 8.7827 8.7827 8.7827 9.6257 9.6257 9.6257 9.6257 9.7473 9.7473 9.7473 9.7473 11.2425 11.2425 11.2425 11.2425 12.8663 12.8663 12.8663 12.8663 13.4816 13.4816 13.4816 13.4816 17.3946 17.3946 17.3946 17.3946 18.5183 18.5183 k = 0.1477 0.0853 0.3660 ( 4388 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2391 -36.2391 -36.2391 -36.2391 -36.2224 -36.2224 -36.2224 -36.2224 0.3753 0.3753 0.3753 0.3753 7.5609 7.5609 7.5609 7.5609 8.1674 8.1674 8.1674 8.1674 8.8050 8.8050 8.8050 8.8050 9.6186 9.6186 9.6186 9.6186 9.7521 9.7521 9.7521 9.7521 11.2781 11.2781 11.2781 11.2781 12.7817 12.7817 12.7817 12.7817 13.4386 13.4386 13.4386 13.4386 17.3367 17.3367 17.3367 17.3367 18.6135 18.6135 k = 0.1591 0.0919 0.3660 ( 4386 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2391 -36.2391 -36.2391 -36.2391 -36.2224 -36.2224 -36.2224 -36.2224 0.3953 0.3953 0.3953 0.3953 7.5063 7.5063 7.5063 7.5063 8.1684 8.1684 8.1684 8.1684 8.8256 8.8256 8.8256 8.8256 9.6115 9.6115 9.6115 9.6115 9.7572 9.7572 9.7572 9.7572 11.3115 11.3115 11.3115 11.3115 12.6991 12.6991 12.6991 12.6991 13.3952 13.3952 13.3952 13.3952 17.2746 17.2746 17.2746 17.2746 18.7195 18.7195 k = 0.1705 0.0984 0.3660 ( 4390 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2392 -36.2392 -36.2392 -36.2392 -36.2224 -36.2224 -36.2224 -36.2224 0.4164 0.4164 0.4164 0.4164 7.4519 7.4519 7.4519 7.4519 8.1695 8.1695 8.1695 8.1695 8.8443 8.8443 8.8443 8.8443 9.6044 9.6044 9.6044 9.6044 9.7627 9.7627 9.7627 9.7627 11.3409 11.3409 11.3409 11.3409 12.6208 12.6208 12.6208 12.6208 13.3513 13.3513 13.3513 13.3513 17.2105 17.2105 17.2105 17.2105 18.8333 18.8333 k = 0.1818 0.1050 0.3660 ( 4390 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2392 -36.2392 -36.2392 -36.2392 -36.2225 -36.2225 -36.2225 -36.2225 0.4386 0.4386 0.4386 0.4386 7.3980 7.3980 7.3980 7.3980 8.1704 8.1704 8.1704 8.1704 8.8613 8.8613 8.8613 8.8613 9.5974 9.5974 9.5974 9.5974 9.7686 9.7686 9.7686 9.7686 11.3643 11.3643 11.3643 11.3643 12.5497 12.5497 12.5497 12.5497 13.3070 13.3070 13.3070 13.3070 17.1461 17.1461 17.1461 17.1461 18.9523 18.9523 k = 0.1932 0.1115 0.3660 ( 4396 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2393 -36.2393 -36.2393 -36.2393 -36.2225 -36.2225 -36.2225 -36.2225 0.4617 0.4617 0.4617 0.4617 7.3448 7.3448 7.3448 7.3448 8.1714 8.1714 8.1714 8.1714 8.8765 8.8765 8.8765 8.8765 9.5906 9.5906 9.5906 9.5906 9.7749 9.7749 9.7749 9.7749 11.3792 11.3792 11.3792 11.3792 12.4884 12.4884 12.4884 12.4884 13.2625 13.2625 13.2625 13.2625 17.0822 17.0822 17.0822 17.0822 19.0744 19.0744 k = 0.2045 0.1181 0.3660 ( 4402 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2394 -36.2394 -36.2394 -36.2394 -36.2225 -36.2225 -36.2225 -36.2225 0.4856 0.4856 0.4856 0.4856 7.2923 7.2923 7.2923 7.2923 8.1722 8.1722 8.1722 8.1722 8.8899 8.8899 8.8899 8.8899 9.5840 9.5840 9.5840 9.5840 9.7815 9.7815 9.7815 9.7815 11.3829 11.3829 11.3829 11.3829 12.4400 12.4400 12.4400 12.4400 13.2179 13.2179 13.2179 13.2179 17.0196 17.0196 17.0196 17.0196 19.1975 19.1975 k = 0.2159 0.1247 0.3660 ( 4400 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2394 -36.2394 -36.2394 -36.2394 -36.2225 -36.2225 -36.2225 -36.2225 0.5104 0.5104 0.5104 0.5104 7.2407 7.2407 7.2407 7.2407 8.1729 8.1729 8.1729 8.1729 8.9013 8.9013 8.9013 8.9013 9.5780 9.5780 9.5780 9.5780 9.7887 9.7887 9.7887 9.7887 11.3736 11.3736 11.3736 11.3736 12.4066 12.4066 12.4066 12.4066 13.1734 13.1734 13.1734 13.1734 16.9587 16.9587 16.9587 16.9587 19.3196 19.3196 k = 0.2273 0.1312 0.3660 ( 4396 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2395 -36.2395 -36.2395 -36.2395 -36.2225 -36.2225 -36.2225 -36.2225 0.5357 0.5357 0.5357 0.5357 7.1902 7.1902 7.1902 7.1902 8.1735 8.1735 8.1735 8.1735 8.9108 8.9108 8.9108 8.9108 9.5724 9.5724 9.5724 9.5724 9.7964 9.7964 9.7964 9.7964 11.3504 11.3504 11.3504 11.3504 12.3892 12.3892 12.3893 12.3893 13.1292 13.1292 13.1292 13.1292 16.8998 16.8998 16.8998 16.8998 19.4382 19.4382 k = 0.2386 0.1378 0.3660 ( 4388 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2396 -36.2396 -36.2396 -36.2396 -36.2225 -36.2225 -36.2225 -36.2225 0.5616 0.5616 0.5616 0.5616 7.1408 7.1408 7.1408 7.1408 8.1740 8.1740 8.1740 8.1740 8.9183 8.9183 8.9183 8.9183 9.5675 9.5675 9.5675 9.5675 9.8045 9.8045 9.8045 9.8045 11.3137 11.3137 11.3137 11.3137 12.3875 12.3875 12.3875 12.3875 13.0857 13.0857 13.0857 13.0857 16.8430 16.8430 16.8430 16.8430 19.5505 19.5505 k = 0.2500 0.1443 0.3660 ( 4392 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2396 -36.2396 -36.2396 -36.2396 -36.2225 -36.2225 -36.2225 -36.2225 0.5880 0.5880 0.5880 0.5880 7.0926 7.0926 7.0926 7.0926 8.1743 8.1743 8.1743 8.1743 8.9237 8.9237 8.9237 8.9237 9.5634 9.5634 9.5634 9.5634 9.8131 9.8131 9.8131 9.8131 11.2654 11.2654 11.2654 11.2654 12.3992 12.3992 12.3992 12.3992 13.0431 13.0431 13.0431 13.0431 16.7884 16.7884 16.7884 16.7884 19.6530 19.6530 k = 0.2614 0.1509 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2397 -36.2397 -36.2397 -36.2397 -36.2225 -36.2225 -36.2225 -36.2225 0.6146 0.6146 0.6146 0.6146 7.0459 7.0459 7.0459 7.0459 8.1745 8.1745 8.1745 8.1745 8.9270 8.9270 8.9270 8.9270 9.5603 9.5603 9.5603 9.5603 9.8221 9.8221 9.8221 9.8221 11.2084 11.2084 11.2084 11.2084 12.4217 12.4217 12.4217 12.4217 13.0019 13.0019 13.0019 13.0019 16.7363 16.7363 16.7363 16.7363 19.7421 19.7421 k = 0.2727 0.1575 0.3660 ( 4382 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6912 -40.6912 -40.6912 -40.6912 -36.2398 -36.2398 -36.2398 -36.2398 -36.2225 -36.2225 -36.2225 -36.2225 0.6414 0.6414 0.6414 0.6414 7.0005 7.0005 7.0005 7.0005 8.1745 8.1745 8.1745 8.1745 8.9282 8.9282 8.9282 8.9282 9.5582 9.5582 9.5582 9.5582 9.8316 9.8316 9.8316 9.8316 11.1451 11.1451 11.1451 11.1451 12.4516 12.4516 12.4516 12.4516 12.9630 12.9630 12.9630 12.9630 16.6866 16.6866 16.6866 16.6866 19.8136 19.8136 k = 0.2841 0.1640 0.3660 ( 4384 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6912 -40.6912 -40.6912 -40.6912 -36.2398 -36.2398 -36.2398 -36.2398 -36.2225 -36.2225 -36.2225 -36.2225 0.6683 0.6683 0.6683 0.6683 6.9567 6.9567 6.9567 6.9567 8.1744 8.1744 8.1744 8.1744 8.9273 8.9273 8.9273 8.9273 9.5572 9.5572 9.5572 9.5572 9.8415 9.8415 9.8415 9.8415 11.0779 11.0779 11.0779 11.0779 12.4858 12.4858 12.4858 12.4858 12.9273 12.9273 12.9273 12.9273 16.6392 16.6392 16.6392 16.6392 19.8645 19.8645 k = 0.2955 0.1706 0.3660 ( 4376 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2399 -36.2399 -36.2399 -36.2399 -36.2225 -36.2225 -36.2225 -36.2225 0.6950 0.6950 0.6950 0.6950 6.9145 6.9145 6.9145 6.9145 8.1741 8.1741 8.1741 8.1741 8.9242 8.9242 8.9242 8.9242 9.5575 9.5575 9.5575 9.5575 9.8518 9.8518 9.8518 9.8518 11.0088 11.0088 11.0088 11.0088 12.5205 12.5205 12.5205 12.5205 12.8967 12.8967 12.8967 12.8967 16.5944 16.5944 16.5944 16.5944 19.8933 19.8933 k = 0.3068 0.1771 0.3660 ( 4374 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2400 -36.2400 -36.2400 -36.2400 -36.2225 -36.2225 -36.2225 -36.2225 0.7216 0.7216 0.7216 0.7216 6.8740 6.8740 6.8740 6.8740 8.1737 8.1737 8.1737 8.1737 8.9192 8.9192 8.9192 8.9192 9.5590 9.5590 9.5590 9.5590 9.8623 9.8623 9.8623 9.8623 10.9393 10.9393 10.9393 10.9393 12.5515 12.5515 12.5515 12.5515 12.8740 12.8740 12.8740 12.8740 16.5520 16.5520 16.5520 16.5520 19.9008 19.9008 k = 0.3182 0.1837 0.3660 ( 4374 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2400 -36.2400 -36.2400 -36.2400 -36.2225 -36.2225 -36.2225 -36.2225 0.7477 0.7477 0.7477 0.7477 6.8352 6.8352 6.8352 6.8352 8.1732 8.1732 8.1732 8.1732 8.9122 8.9122 8.9122 8.9122 9.5619 9.5619 9.5619 9.5619 9.8730 9.8730 9.8730 9.8730 10.8705 10.8705 10.8705 10.8705 12.5736 12.5736 12.5736 12.5736 12.8634 12.8634 12.8634 12.8634 16.5120 16.5120 16.5120 16.5120 19.8899 19.8899 k = 0.3295 0.1903 0.3660 ( 4368 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2401 -36.2401 -36.2401 -36.2401 -36.2225 -36.2225 -36.2225 -36.2225 0.7732 0.7732 0.7732 0.7732 6.7984 6.7984 6.7984 6.7984 8.1725 8.1725 8.1725 8.1725 8.9036 8.9036 8.9036 8.9036 9.5660 9.5660 9.5660 9.5660 9.8838 9.8838 9.8838 9.8838 10.8034 10.8034 10.8034 10.8034 12.5822 12.5822 12.5822 12.5822 12.8684 12.8684 12.8684 12.8684 16.4745 16.4745 16.4745 16.4745 19.8645 19.8645 k = 0.3409 0.1968 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2401 -36.2401 -36.2401 -36.2401 -36.2226 -36.2226 -36.2226 -36.2226 0.7981 0.7981 0.7981 0.7981 6.7635 6.7635 6.7635 6.7635 8.1718 8.1718 8.1718 8.1718 8.8934 8.8934 8.8934 8.8934 9.5714 9.5714 9.5714 9.5714 9.8946 9.8946 9.8946 9.8946 10.7387 10.7387 10.7387 10.7387 12.5770 12.5770 12.5770 12.5770 12.8889 12.8889 12.8889 12.8889 16.4395 16.4395 16.4395 16.4395 19.8284 19.8284 k = 0.3523 0.2034 0.3660 ( 4368 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2402 -36.2402 -36.2402 -36.2402 -36.2226 -36.2226 -36.2226 -36.2226 0.8221 0.8221 0.8221 0.8221 6.7306 6.7306 6.7306 6.7306 8.1710 8.1710 8.1710 8.1710 8.8819 8.8819 8.8819 8.8819 9.5779 9.5779 9.5779 9.5779 9.9053 9.9053 9.9053 9.9053 10.6768 10.6768 10.6768 10.6768 12.5615 12.5615 12.5615 12.5615 12.9205 12.9205 12.9205 12.9205 16.4069 16.4069 16.4069 16.4069 19.7852 19.7852 k = 0.3636 0.2099 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2403 -36.2403 -36.2403 -36.2403 -36.2226 -36.2226 -36.2226 -36.2226 0.8451 0.8451 0.8451 0.8451 6.6997 6.6997 6.6997 6.6997 8.1701 8.1701 8.1701 8.1701 8.8696 8.8696 8.8696 8.8696 9.5855 9.5855 9.5855 9.5855 9.9157 9.9157 9.9157 9.9157 10.6183 10.6183 10.6183 10.6183 12.5401 12.5401 12.5401 12.5401 12.9585 12.9585 12.9585 12.9585 16.3767 16.3767 16.3767 16.3767 19.7378 19.7378 k = 0.3750 0.2165 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2403 -36.2403 -36.2403 -36.2403 -36.2226 -36.2226 -36.2226 -36.2226 0.8670 0.8670 0.8670 0.8670 6.6711 6.6711 6.6711 6.6711 8.1692 8.1692 8.1692 8.1692 8.8565 8.8565 8.8565 8.8565 9.5940 9.5940 9.5940 9.5940 9.9257 9.9257 9.9257 9.9257 10.5633 10.5633 10.5633 10.5633 12.5160 12.5160 12.5160 12.5160 12.9992 12.9992 12.9992 12.9992 16.3490 16.3490 16.3490 16.3490 19.6884 19.6884 k = 0.3864 0.2231 0.3660 ( 4352 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2403 -36.2403 -36.2403 -36.2403 -36.2226 -36.2226 -36.2226 -36.2226 0.8875 0.8875 0.8875 0.8875 6.6447 6.6447 6.6447 6.6447 8.1683 8.1683 8.1683 8.1683 8.8432 8.8432 8.8432 8.8432 9.6033 9.6033 9.6033 9.6033 9.9351 9.9351 9.9351 9.9351 10.5122 10.5122 10.5122 10.5122 12.4913 12.4913 12.4913 12.4913 13.0403 13.0403 13.0403 13.0403 16.3237 16.3237 16.3237 16.3237 19.6389 19.6389 k = 0.3977 0.2296 0.3660 ( 4356 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2404 -36.2404 -36.2404 -36.2404 -36.2226 -36.2226 -36.2226 -36.2226 0.9066 0.9066 0.9066 0.9066 6.6205 6.6205 6.6205 6.6205 8.1675 8.1675 8.1675 8.1675 8.8299 8.8299 8.8299 8.8299 9.6131 9.6131 9.6131 9.6131 9.9438 9.9438 9.9438 9.9438 10.4651 10.4651 10.4651 10.4651 12.4670 12.4670 12.4670 12.4670 13.0803 13.0803 13.0803 13.0803 16.3008 16.3008 16.3008 16.3008 19.5907 19.5907 k = 0.4091 0.2362 0.3660 ( 4356 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2404 -36.2404 -36.2404 -36.2404 -36.2226 -36.2226 -36.2226 -36.2226 0.9241 0.9241 0.9241 0.9241 6.5987 6.5987 6.5987 6.5987 8.1666 8.1666 8.1666 8.1666 8.8169 8.8169 8.8169 8.8169 9.6232 9.6232 9.6232 9.6232 9.9516 9.9516 9.9516 9.9516 10.4224 10.4224 10.4224 10.4224 12.4441 12.4441 12.4441 12.4441 13.1182 13.1182 13.1182 13.1182 16.2803 16.2803 16.2803 16.2803 19.5450 19.5450 k = 0.4205 0.2427 0.3660 ( 4360 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2405 -36.2405 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9399 0.9399 0.9399 0.9399 6.5793 6.5793 6.5793 6.5793 8.1658 8.1658 8.1658 8.1658 8.8045 8.8045 8.8045 8.8045 9.6334 9.6334 9.6334 9.6334 9.9584 9.9584 9.9584 9.9584 10.3842 10.3842 10.3842 10.3842 12.4229 12.4229 12.4229 12.4229 13.1530 13.1530 13.1530 13.1530 16.2622 16.2622 16.2622 16.2622 19.5027 19.5027 k = 0.4318 0.2493 0.3660 ( 4368 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2405 -36.2405 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9538 0.9538 0.9538 0.9538 6.5624 6.5624 6.5624 6.5624 8.1650 8.1650 8.1650 8.1650 8.7932 8.7932 8.7932 8.7932 9.6434 9.6434 9.6434 9.6434 9.9640 9.9640 9.9640 9.9640 10.3508 10.3508 10.3508 10.3508 12.4039 12.4039 12.4039 12.4039 13.1843 13.1843 13.1843 13.1843 16.2465 16.2465 16.2465 16.2465 19.4646 19.4646 k = 0.4432 0.2559 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2405 -36.2405 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9658 0.9658 0.9658 0.9658 6.5480 6.5480 6.5480 6.5480 8.1644 8.1644 8.1644 8.1644 8.7830 8.7830 8.7830 8.7830 9.6528 9.6528 9.6528 9.6528 9.9684 9.9684 9.9684 9.9684 10.3222 10.3222 10.3222 10.3222 12.3874 12.3874 12.3874 12.3874 13.2116 13.2116 13.2116 13.2116 16.2333 16.2333 16.2333 16.2333 19.4314 19.4314 k = 0.4545 0.2624 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2405 -36.2405 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9758 0.9758 0.9758 0.9758 6.5362 6.5362 6.5362 6.5362 8.1638 8.1638 8.1638 8.1638 8.7744 8.7744 8.7744 8.7744 9.6614 9.6614 9.6614 9.6614 9.9717 9.9717 9.9717 9.9717 10.2987 10.2987 10.2987 10.2987 12.3736 12.3736 12.3736 12.3736 13.2345 13.2345 13.2345 13.2345 16.2224 16.2224 16.2225 16.2225 19.4035 19.4035 k = 0.4659 0.2690 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9836 0.9836 0.9836 0.9836 6.5269 6.5269 6.5269 6.5269 8.1634 8.1634 8.1634 8.1634 8.7675 8.7675 8.7675 8.7675 9.6686 9.6686 9.6686 9.6686 9.9739 9.9739 9.9739 9.9739 10.2804 10.2804 10.2804 10.2804 12.3627 12.3627 12.3627 12.3627 13.2526 13.2526 13.2526 13.2526 16.2140 16.2140 16.2140 16.2140 19.3814 19.3814 k = 0.4773 0.2756 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9892 0.9892 0.9892 0.9892 6.5203 6.5203 6.5203 6.5203 8.1630 8.1630 8.1630 8.1630 8.7625 8.7625 8.7625 8.7625 9.6741 9.6741 9.6741 9.6741 9.9752 9.9752 9.9752 9.9752 10.2674 10.2674 10.2674 10.2674 12.3549 12.3549 12.3549 12.3549 13.2657 13.2657 13.2657 13.2657 16.2080 16.2080 16.2080 16.2080 19.3654 19.3654 k = 0.4886 0.2821 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9926 0.9926 0.9926 0.9926 6.5163 6.5163 6.5163 6.5163 8.1628 8.1628 8.1628 8.1628 8.7594 8.7594 8.7594 8.7594 9.6776 9.6776 9.6776 9.6776 9.9759 9.9759 9.9759 9.9759 10.2595 10.2595 10.2595 10.2595 12.3501 12.3501 12.3501 12.3501 13.2736 13.2736 13.2736 13.2736 16.2044 16.2044 16.2044 16.2044 19.3557 19.3557 k = 0.5000 0.2887 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9937 0.9937 0.9937 0.9937 6.5150 6.5150 6.5150 6.5150 8.1628 8.1628 8.1628 8.1628 8.7584 8.7584 8.7584 8.7584 9.6788 9.6788 9.6788 9.6788 9.9761 9.9761 9.9761 9.9761 10.2570 10.2570 10.2570 10.2570 12.3485 12.3485 12.3485 12.3485 13.2763 13.2763 13.2763 13.2763 16.2032 16.2032 16.2032 16.2032 19.3525 19.3525 k = 0.5000 0.2887 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9937 0.9937 0.9937 0.9937 6.5150 6.5150 6.5150 6.5150 8.1628 8.1628 8.1628 8.1628 8.7584 8.7584 8.7584 8.7584 9.6788 9.6788 9.6788 9.6788 9.9761 9.9761 9.9761 9.9761 10.2570 10.2570 10.2570 10.2570 12.3485 12.3485 12.3485 12.3485 13.2763 13.2763 13.2763 13.2763 16.2032 16.2032 16.2032 16.2032 19.3525 19.3525 k = 0.4936 0.2998 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9935 0.9935 0.9945 0.9945 6.5154 6.5154 6.5169 6.5169 8.1585 8.1585 8.1647 8.1647 8.7568 8.7568 8.7585 8.7585 9.6742 9.6742 9.6833 9.6833 9.9640 9.9640 9.9891 9.9891 10.2506 10.2506 10.2627 10.2627 12.3206 12.3206 12.3439 12.3439 13.2738 13.2738 13.3133 13.3133 16.2021 16.2021 16.2122 16.2122 19.3510 19.3510 k = 0.4872 0.3109 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9938 0.9938 0.9959 0.9959 6.5183 6.5183 6.5212 6.5212 8.1520 8.1520 8.1643 8.1643 8.7538 8.7538 8.7573 8.7573 9.6697 9.6697 9.6878 9.6878 9.9528 9.9528 10.0029 10.0029 10.2435 10.2435 10.2679 10.2679 12.2663 12.2663 12.3071 12.3071 13.3054 13.3054 13.3786 13.3786 16.2090 16.2090 16.2291 16.2291 19.3515 19.3515 k = 0.4808 0.3220 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9947 0.9947 0.9978 0.9978 6.5235 6.5235 6.5279 6.5279 8.1430 8.1430 8.1617 8.1617 8.7493 8.7493 8.7548 8.7548 9.6653 9.6653 9.6920 9.6920 9.9424 9.9424 10.0177 10.0177 10.2358 10.2358 10.2727 10.2727 12.1942 12.1942 12.2449 12.2449 13.3642 13.3642 13.4634 13.4634 16.2239 16.2239 16.2540 16.2540 19.3540 19.3540 k = 0.4744 0.3331 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9962 0.9962 1.0002 1.0002 6.5310 6.5310 6.5371 6.5371 8.1317 8.1317 8.1569 8.1569 8.7432 8.7432 8.7508 8.7508 9.6611 9.6611 9.6959 9.6959 9.9329 9.9329 10.0333 10.0333 10.2274 10.2274 10.2772 10.2772 12.1115 12.1115 12.1660 12.1660 13.4414 13.4414 13.5605 13.5605 16.2471 16.2471 16.2868 16.2868 19.3583 19.3583 k = 0.4679 0.3442 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9981 0.9981 1.0032 1.0032 6.5407 6.5407 6.5486 6.5486 8.1180 8.1180 8.1502 8.1502 8.7354 8.7354 8.7454 8.7454 9.6571 9.6571 9.6992 9.6992 9.9242 9.9242 10.0497 10.0497 10.2185 10.2185 10.2816 10.2816 12.0234 12.0234 12.0773 12.0773 13.5298 13.5298 13.6643 13.6643 16.2786 16.2786 16.3276 16.3276 19.3642 19.3642 k = 0.4615 0.3553 0.3660 ( 4378 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0006 1.0006 1.0066 1.0066 6.5527 6.5527 6.5624 6.5624 8.1020 8.1020 8.1415 8.1415 8.7258 8.7258 8.7385 8.7385 9.6532 9.6532 9.7019 9.7019 9.9162 9.9162 10.0666 10.0666 10.2093 10.2093 10.2861 10.2861 11.9331 11.9331 11.9837 11.9837 13.6242 13.6242 13.7713 13.7713 16.3185 16.3185 16.3765 16.3765 19.3713 19.3713 k = 0.4551 0.3664 0.3660 ( 4374 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0035 1.0035 1.0105 1.0105 6.5668 6.5668 6.5786 6.5786 8.0839 8.0839 8.1312 8.1312 8.7143 8.7143 8.7302 8.7302 9.6495 9.6495 9.7038 9.7038 9.9090 9.9090 10.0837 10.0837 10.2004 10.2004 10.2909 10.2909 11.8432 11.8432 11.8886 11.8886 13.7212 13.7212 13.8786 13.8786 16.3671 16.3671 16.4333 16.4333 19.3791 19.3791 k = 0.4487 0.3775 0.3660 ( 4378 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0069 1.0069 1.0149 1.0149 6.5829 6.5829 6.5971 6.5971 8.0635 8.0635 8.1193 8.1193 8.7009 8.7009 8.7204 8.7204 9.6460 9.6460 9.7047 9.7047 9.9022 9.9022 10.0997 10.0997 10.1928 10.1928 10.2963 10.2963 11.7551 11.7551 11.7941 11.7941 13.8183 13.8183 13.9844 13.9844 16.4244 16.4244 16.4982 16.4982 19.3869 19.3869 k = 0.4423 0.3886 0.3660 ( 4374 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0107 1.0107 1.0196 1.0196 6.6009 6.6009 6.6178 6.6178 8.0411 8.0411 8.1059 8.1059 8.6855 8.6855 8.7090 8.7090 9.6426 9.6426 9.7048 9.7048 9.8958 9.8958 10.1123 10.1123 10.1892 10.1892 10.3024 10.3024 11.6700 11.6700 11.7016 11.7016 13.9137 13.9137 14.0871 14.0871 16.4903 16.4903 16.5708 16.5708 19.3937 19.3937 k = 0.4359 0.3997 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0149 1.0149 1.0246 1.0246 6.6207 6.6207 6.6406 6.6406 8.0166 8.0166 8.0912 8.0912 8.6681 8.6681 8.6962 8.6962 9.6394 9.6394 9.7041 9.7041 9.8895 9.8895 10.1175 10.1175 10.1934 10.1934 10.3095 10.3095 11.5886 11.5886 11.6121 11.6121 14.0061 14.0061 14.1857 14.1857 16.5647 16.5647 16.6509 16.6509 19.3983 19.3983 k = 0.4295 0.4108 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0193 1.0193 1.0299 1.0299 6.6422 6.6422 6.6655 6.6655 7.9900 7.9900 8.0754 8.0754 8.6488 8.6488 8.6820 8.6820 9.6363 9.6363 9.7026 9.7026 9.8832 9.8832 10.1142 10.1142 10.2068 10.2068 10.3179 10.3179 11.5115 11.5115 11.5264 11.5264 14.0947 14.0947 14.2793 14.2793 16.6473 16.6473 16.7380 16.7380 19.3987 19.3987 k = 0.4231 0.4219 0.3660 ( 4376 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0241 1.0241 1.0355 1.0355 6.6652 6.6652 6.6924 6.6924 7.9616 7.9616 8.0585 8.0585 8.6277 8.6277 8.6665 8.6665 9.6335 9.6335 9.7007 9.7007 9.8766 9.8766 10.1053 10.1053 10.2266 10.2266 10.3275 10.3275 11.4389 11.4389 11.4448 11.4448 14.1788 14.1788 14.3672 14.3672 16.7376 16.7376 16.8316 16.8316 19.3929 19.3929 k = 0.4167 0.4330 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0290 1.0290 1.0412 1.0412 6.6894 6.6894 6.7211 6.7211 7.9313 7.9313 8.0407 8.0407 8.6051 8.6051 8.6500 8.6500 9.6308 9.6308 9.6983 9.6983 9.8696 9.8696 10.0936 10.0936 10.2500 10.2500 10.3386 10.3386 11.3676 11.3676 11.3712 11.3712 14.2579 14.2579 14.4492 14.4492 16.8348 16.8348 16.9310 16.9310 19.3782 19.3782 k = 0.4103 0.4441 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2407 -36.2407 -36.2226 -36.2226 -36.2226 -36.2226 1.0341 1.0341 1.0470 1.0470 6.7146 6.7146 6.7515 6.7515 7.8992 7.8992 8.0222 8.0222 8.5812 8.5812 8.6326 8.6326 9.6283 9.6283 9.6959 9.6959 9.8621 9.8621 10.0806 10.0806 10.2756 10.2756 10.3510 10.3510 11.2950 11.2950 11.3085 11.3085 14.3316 14.3316 14.5250 14.5250 16.9383 16.9383 17.0351 17.0351 19.3524 19.3524 k = 0.4038 0.4552 0.3660 ( 4384 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0392 1.0392 1.0528 1.0528 6.7406 6.7406 6.7833 6.7833 7.8655 7.8655 8.0031 8.0031 8.5563 8.5563 8.6148 8.6148 9.6261 9.6261 9.6936 9.6936 9.8541 9.8541 10.0671 10.0671 10.3028 10.3028 10.3647 10.3647 11.2269 11.2269 11.2505 11.2505 14.3999 14.3999 14.5946 14.5946 17.0468 17.0468 17.1430 17.1430 19.3135 19.3136 k = 0.3974 0.4663 0.3660 ( 4384 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0443 1.0443 1.0585 1.0585 6.7669 6.7669 6.8164 6.8164 7.8304 7.8304 7.9836 7.9836 8.5310 8.5310 8.5967 8.5967 9.6241 9.6241 9.6916 9.6916 9.8455 9.8455 10.0536 10.0536 10.3311 10.3311 10.3795 10.3795 11.1632 11.1632 11.1974 11.1974 14.4626 14.4626 14.6580 14.6580 17.1594 17.1594 17.2534 17.2534 19.2402 19.2402 k = 0.3910 0.4774 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0494 1.0494 1.0642 1.0642 6.7933 6.7933 6.8505 6.8505 7.7942 7.7942 7.9641 7.9641 8.5058 8.5058 8.5788 8.5788 9.6225 9.6225 9.6902 9.6902 9.8365 9.8365 10.0404 10.0404 10.3603 10.3603 10.3952 10.3952 11.1039 11.1039 11.1491 11.1491 14.5197 14.5197 14.7154 14.7154 17.2749 17.2749 17.3650 17.3650 19.1548 19.1548 k = 0.3846 0.4885 0.3660 ( 4368 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0542 1.0542 1.0696 1.0696 6.8191 6.8191 6.8852 6.8852 7.7573 7.7573 7.9447 7.9447 8.4812 8.4812 8.5615 8.5615 9.6212 9.6212 9.6894 9.6894 9.8271 9.8271 10.0278 10.0278 10.3902 10.3902 10.4115 10.4115 11.0486 11.0486 11.1055 11.1055 14.5711 14.5711 14.7667 14.7667 17.3919 17.3919 17.4762 17.4762 19.0596 19.0596 k = 0.3782 0.4996 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0589 1.0589 1.0747 1.0747 6.8440 6.8440 6.9200 6.9200 7.7201 7.7201 7.9258 7.9258 8.4576 8.4576 8.5451 8.5451 9.6201 9.6201 9.6894 9.6894 9.8175 9.8175 10.0160 10.0160 10.4205 10.4205 10.4279 10.4279 10.9973 10.9973 11.0664 11.0664 14.6168 14.6168 14.8121 14.8121 17.5093 17.5093 17.5855 17.5855 18.9581 18.9581 k = 0.3718 0.5107 0.3660 ( 4358 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0632 1.0632 1.0794 1.0794 6.8673 6.8673 6.9543 6.9543 7.6834 7.6834 7.9079 7.9079 8.4357 8.4357 8.5300 8.5300 9.6194 9.6194 9.6902 9.6902 9.8078 9.8078 10.0052 10.0052 10.4440 10.4440 10.4509 10.4509 10.9499 10.9499 11.0320 11.0320 14.6568 14.6568 14.8516 14.8516 17.6257 17.6258 17.6908 17.6908 18.8533 18.8533 k = 0.3654 0.5218 0.3660 ( 4354 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0671 1.0671 1.0837 1.0837 6.8884 6.8884 6.9872 6.9872 7.6481 7.6481 7.8916 7.8916 8.4160 8.4160 8.5165 8.5165 9.6190 9.6190 9.6919 9.6919 9.7982 9.7982 9.9956 9.9956 10.4592 10.4592 10.4810 10.4810 10.9063 10.9063 11.0023 11.0023 14.6909 14.6909 14.8853 14.8853 17.7401 17.7401 17.7901 17.7901 18.7475 18.7475 k = 0.3590 0.5329 0.3660 ( 4354 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0704 1.0704 1.0874 1.0874 6.9066 6.9066 7.0177 7.0177 7.6155 7.6155 7.8773 7.8773 8.3991 8.3991 8.5049 8.5049 9.6187 9.6187 9.6944 9.6944 9.7890 9.7890 9.9874 9.9874 10.4728 10.4728 10.5101 10.5101 10.8667 10.8667 10.9774 10.9774 14.7192 14.7192 14.9132 14.9132 17.8513 17.8513 17.8804 17.8804 18.6426 18.6426 k = 0.3526 0.5440 0.3660 ( 4368 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0732 1.0732 1.0904 1.0904 6.9214 6.9214 7.0442 7.0442 7.5871 7.5871 7.8656 7.8656 8.3852 8.3852 8.4954 8.4954 9.6186 9.6186 9.6975 9.6975 9.7804 9.7804 9.9807 9.9807 10.4843 10.4843 10.5373 10.5373 10.8318 10.8318 10.9576 10.9576 14.7414 14.7414 14.9351 14.9351 17.9582 17.9582 17.9583 17.9583 18.5403 18.5403 k = 0.3462 0.5551 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0753 1.0753 1.0926 1.0926 6.9323 6.9323 7.0651 7.0651 7.5647 7.5647 7.8570 7.8570 8.3749 8.3749 8.4885 8.4885 9.6187 9.6187 9.7009 9.7009 9.7731 9.7731 9.9758 9.9758 10.4931 10.4931 10.5608 10.5608 10.8032 10.8032 10.9434 10.9434 14.7574 14.7574 14.9510 14.9510 18.0189 18.0189 18.0595 18.0595 18.4421 18.4421 k = 0.3397 0.5662 0.3660 ( 4358 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0766 1.0766 1.0941 1.0941 6.9389 6.9389 7.0785 7.0785 7.5503 7.5503 7.8518 7.8518 8.3685 8.3685 8.4842 8.4842 9.6188 9.6188 9.7038 9.7038 9.7678 9.7678 9.9727 9.9727 10.4986 10.4986 10.5776 10.5776 10.7835 10.7835 10.9348 10.9348 14.7672 14.7672 14.9606 14.9606 18.0571 18.0571 18.1525 18.1525 18.3509 18.3509 k = 0.3333 0.5774 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0771 1.0771 1.0946 1.0946 6.9410 6.9410 7.0831 7.0831 7.5454 7.5454 7.8501 7.8501 8.3663 8.3663 8.4827 8.4827 9.6189 9.6189 9.7049 9.7049 9.7657 9.7657 9.9716 9.9716 10.5005 10.5005 10.5837 10.5837 10.7764 10.7764 10.9320 10.9320 14.7704 14.7704 14.9638 14.9638 18.0696 18.0696 18.2119 18.2119 18.2921 18.2921 k = 0.3333 0.5774 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0771 1.0771 1.0946 1.0946 6.9410 6.9410 7.0831 7.0831 7.5454 7.5454 7.8501 7.8501 8.3663 8.3663 8.4827 8.4827 9.6189 9.6189 9.7049 9.7049 9.7657 9.7657 9.9716 9.9716 10.5005 10.5005 10.5837 10.5837 10.7764 10.7764 10.9320 10.9320 14.7704 14.7704 14.9638 14.9638 18.0696 18.0696 18.2119 18.2119 18.2921 18.2921 k = 0.3268 0.5660 0.3660 ( 4354 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0766 1.0766 1.0940 1.0940 6.9389 6.9389 7.0785 7.0785 7.5504 7.5504 7.8518 7.8518 8.3687 8.3687 8.4843 8.4843 9.6188 9.6188 9.7035 9.7035 9.7681 9.7681 9.9728 9.9728 10.4986 10.4986 10.5775 10.5775 10.7836 10.7836 10.9348 10.9348 14.7670 14.7670 14.9604 14.9604 18.0584 18.0584 18.1565 18.1565 18.3469 18.3469 k = 0.3203 0.5547 0.3660 ( 4354 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0750 1.0750 1.0923 1.0923 6.9327 6.9327 7.0656 7.0656 7.5644 7.5644 7.8565 7.8565 8.3759 8.3759 8.4891 8.4891 9.6185 9.6185 9.6994 9.6994 9.7749 9.7749 9.9764 9.9764 10.4933 10.4933 10.5614 10.5614 10.8023 10.8023 10.9430 10.9430 14.7566 14.7566 14.9501 14.9501 18.0301 18.0301 18.0801 18.0801 18.4217 18.4217 k = 0.3137 0.5434 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0723 1.0723 1.0894 1.0894 6.9230 6.9230 7.0465 7.0465 7.5854 7.5854 7.8636 7.8636 8.3880 8.3880 8.4972 8.4972 9.6178 9.6178 9.6933 9.6933 9.7853 9.7853 9.9823 9.9823 10.4852 10.4852 10.5397 10.5397 10.8284 10.8284 10.9558 10.9558 14.7393 14.7393 14.9327 14.9327 17.9925 17.9925 18.0072 18.0072 18.4918 18.4918 k = 0.3072 0.5321 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0684 1.0684 1.0853 1.0853 6.9108 6.9108 7.0235 7.0235 7.6113 7.6113 7.8725 7.8725 8.4049 8.4049 8.5087 8.5087 9.6168 9.6168 9.6862 9.6862 9.7986 9.7986 9.9909 9.9909 10.4751 10.4751 10.5156 10.5156 10.8587 10.8587 10.9726 10.9726 14.7150 14.7150 14.9084 14.9084 17.9399 17.9399 17.9512 17.9512 18.5554 18.5554 k = 0.3007 0.5207 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0631 1.0631 1.0798 1.0798 6.8967 6.8967 6.9983 6.9983 7.6400 7.6400 7.8826 7.8826 8.4265 8.4265 8.5234 8.5234 9.6154 9.6154 9.6786 9.6786 9.8140 9.8140 10.0019 10.0019 10.4638 10.4638 10.4909 10.4909 10.8915 10.8915 10.9927 10.9927 14.6839 14.6839 14.8772 14.8772 17.8784 17.8784 17.9096 17.9096 18.6124 18.6124 k = 0.2941 0.5094 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0566 1.0566 1.0728 1.0728 6.8816 6.8816 6.9727 6.9727 7.6702 7.6702 7.8934 7.8934 8.4524 8.4524 8.5413 8.5413 9.6135 9.6135 9.6709 9.6709 9.8310 9.8310 10.0151 10.0151 10.4523 10.4523 10.4670 10.4670 10.9258 10.9258 11.0153 11.0153 14.6463 14.6463 14.8394 14.8394 17.8227 17.8227 17.8695 17.8695 18.6629 18.6629 k = 0.2876 0.4981 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0487 1.0487 1.0645 1.0645 6.8663 6.8663 6.9476 6.9476 7.7007 7.7007 7.9044 7.9044 8.4820 8.4820 8.5622 8.5622 9.6111 9.6111 9.6632 9.6632 9.8491 9.8491 10.0303 10.0303 10.4416 10.4416 10.4449 10.4449 10.9611 10.9611 11.0399 11.0399 14.6024 14.6024 14.7952 14.7952 17.7724 17.7724 17.8318 17.8318 18.7076 18.7076 k = 0.2810 0.4868 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0393 1.0393 1.0547 1.0547 6.8513 6.8513 6.9239 6.9239 7.7308 7.7308 7.9154 7.9154 8.5147 8.5147 8.5858 8.5858 9.6084 9.6084 9.6557 9.6557 9.8677 9.8677 10.0463 10.0463 10.4260 10.4260 10.4326 10.4326 10.9971 10.9971 11.0662 11.0662 14.5528 14.5528 14.7452 14.7452 17.7270 17.7270 17.7968 17.7968 18.7472 18.7472 k = 0.2745 0.4755 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2227 -36.2227 -36.2226 -36.2226 1.0285 1.0285 1.0434 1.0434 6.8375 6.8375 6.9023 6.9023 7.7600 7.7600 7.9263 7.9263 8.5498 8.5498 8.6116 8.6116 9.6052 9.6052 9.6485 9.6485 9.8862 9.8862 10.0621 10.0621 10.4119 10.4119 10.4266 10.4266 11.0336 11.0336 11.0937 11.0937 14.4978 14.4978 14.6898 14.6898 17.6859 17.6859 17.7644 17.7644 18.7825 18.7825 k = 0.2680 0.4641 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0163 1.0163 1.0306 1.0306 6.8251 6.8251 6.8832 6.8832 7.7881 7.7881 7.9371 7.9371 8.5864 8.5864 8.6392 8.6392 9.6016 9.6016 9.6416 9.6416 9.9037 9.9037 10.0759 10.0759 10.4048 10.4048 10.4251 10.4251 11.0704 11.0704 11.1221 11.1221 14.4380 14.4380 14.6296 14.6296 17.6486 17.6486 17.7344 17.7344 18.8144 18.8144 k = 0.2614 0.4528 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2407 -36.2407 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 1.0026 1.0026 1.0164 1.0164 6.8148 6.8148 6.8669 6.8669 7.8148 7.8148 7.9478 7.9478 8.6239 8.6239 8.6681 8.6681 9.5978 9.5978 9.6351 9.6351 9.9190 9.9190 10.0854 10.0854 10.4071 10.4071 10.4294 10.4294 11.1074 11.1074 11.1512 11.1512 14.3740 14.3740 14.5653 14.5653 17.6144 17.6144 17.7064 17.7064 18.8437 18.8437 k = 0.2549 0.4415 0.3660 ( 4376 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9876 0.9876 1.0007 1.0007 6.8068 6.8068 6.8538 6.8538 7.8401 7.8401 7.9584 7.9584 8.6614 8.6614 8.6977 8.6977 9.5936 9.5936 9.6291 9.6291 9.9311 9.9311 10.0888 10.0888 10.4210 10.4210 10.4409 10.4409 11.1446 11.1446 11.1809 11.1809 14.3064 14.3064 14.4974 14.4974 17.5828 17.5828 17.6800 17.6800 18.8711 18.8711 k = 0.2484 0.4302 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9711 0.9711 0.9835 0.9835 6.8014 6.8014 6.8439 6.8439 7.8641 7.8641 7.9691 7.9691 8.6983 8.6983 8.7274 8.7274 9.5892 9.5892 9.6235 9.6235 9.9391 9.9391 10.0854 10.0854 10.4472 10.4472 10.4608 10.4608 11.1818 11.1818 11.2109 11.2109 14.2358 14.2358 14.4267 14.4267 17.5533 17.5533 17.6548 17.6548 18.8970 18.8970 k = 0.2418 0.4189 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6914 -40.6914 -36.2405 -36.2405 -36.2405 -36.2405 -36.2226 -36.2226 -36.2226 -36.2226 0.9533 0.9533 0.9651 0.9651 6.7988 6.7988 6.8375 6.8375 7.8869 7.8869 7.9798 7.9798 8.7340 8.7340 8.7566 8.7566 9.5846 9.5846 9.6184 9.6184 9.9427 9.9427 10.0762 10.0762 10.4851 10.4851 10.4900 10.4900 11.2190 11.2190 11.2410 11.2410 14.1630 14.1630 14.3539 14.3539 17.5255 17.5255 17.6305 17.6305 18.9142 18.9142 k = 0.2353 0.4075 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6914 -40.6914 -36.2405 -36.2405 -36.2404 -36.2404 -36.2226 -36.2226 -36.2226 -36.2226 0.9342 0.9342 0.9453 0.9453 6.7992 6.7992 6.8345 6.8345 7.9084 7.9084 7.9905 7.9905 8.7681 8.7681 8.7848 8.7848 9.5799 9.5799 9.6139 9.6139 9.9417 9.9417 10.0625 10.0625 10.5286 10.5286 10.5333 10.5333 11.2561 11.2561 11.2711 11.2711 14.0884 14.0884 14.2796 14.2796 17.4991 17.4991 17.6070 17.6070 18.9257 18.9257 k = 0.2288 0.3962 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2405 -36.2405 -36.2404 -36.2404 -36.2226 -36.2226 -36.2226 -36.2226 0.9139 0.9139 0.9243 0.9243 6.8026 6.8026 6.8351 6.8351 7.9288 7.9288 8.0013 8.0013 8.8000 8.8000 8.8115 8.8115 9.5751 9.5751 9.6099 9.6099 9.9368 9.9368 10.0459 10.0459 10.5762 10.5762 10.5902 10.5902 11.2929 11.2929 11.3009 11.3009 14.0129 14.0129 14.2045 14.2045 17.4740 17.4740 17.5841 17.5841 18.9368 18.9368 k = 0.2222 0.3849 0.3660 ( 4370 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2404 -36.2404 -36.2403 -36.2403 -36.2226 -36.2226 -36.2226 -36.2226 0.8924 0.8924 0.9022 0.9022 6.8093 6.8093 6.8392 6.8392 7.9481 7.9481 8.0121 8.0121 8.8295 8.8295 8.8363 8.8363 9.5702 9.5702 9.6065 9.6065 9.9284 9.9284 10.0275 10.0275 10.6322 10.6322 10.6547 10.6547 11.3293 11.3293 11.3303 11.3303 13.9369 13.9369 14.1293 14.1293 17.4499 17.4499 17.5618 17.5618 18.9470 18.9470 k = 0.2157 0.3736 0.3660 ( 4366 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2403 -36.2403 -36.2403 -36.2403 -36.2226 -36.2226 -36.2226 -36.2226 0.8699 0.8699 0.8790 0.8790 6.8191 6.8191 6.8468 6.8468 7.9666 7.9666 8.0230 8.0230 8.8563 8.8563 8.8590 8.8590 9.5655 9.5655 9.6038 9.6038 9.9175 9.9175 10.0083 10.0083 10.6959 10.6959 10.7257 10.7257 11.3590 11.3590 11.3652 11.3652 13.8612 13.8612 14.0546 14.0546 17.4270 17.4270 17.5401 17.5401 18.9554 18.9554 k = 0.2092 0.3623 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6914 -40.6914 -36.2403 -36.2403 -36.2402 -36.2402 -36.2226 -36.2226 -36.2226 -36.2226 0.8465 0.8465 0.8549 0.8549 6.8322 6.8322 6.8579 6.8579 7.9841 7.9841 8.0338 8.0338 8.8793 8.8793 8.8802 8.8802 9.5609 9.5609 9.6018 9.6018 9.9049 9.9049 9.9888 9.9888 10.7665 10.7665 10.8023 10.8023 11.3867 11.3867 11.4004 11.4004 13.7865 13.7865 13.9812 13.9812 17.4053 17.4053 17.5192 17.5192 18.9611 18.9611 k = 0.2026 0.3509 0.3660 ( 4360 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6913 -40.6913 -36.2402 -36.2402 -36.2402 -36.2402 -36.2226 -36.2226 -36.2226 -36.2226 0.8222 0.8222 0.8300 0.8300 6.8484 6.8484 6.8724 6.8724 8.0008 8.0008 8.0447 8.0447 8.8969 8.8969 8.9011 8.9011 9.5566 9.5566 9.6004 9.6004 9.8911 9.8911 9.9696 9.9696 10.8431 10.8431 10.8838 10.8838 11.4132 11.4132 11.4347 11.4347 13.7134 13.7134 13.9096 13.9096 17.3849 17.3849 17.4992 17.4992 18.9631 18.9631 k = 0.1961 0.3396 0.3660 ( 4376 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6914 -40.6914 -40.6913 -40.6913 -36.2402 -36.2402 -36.2401 -36.2401 -36.2226 -36.2226 -36.2226 -36.2226 0.7972 0.7972 0.8043 0.8043 6.8677 6.8677 6.8902 6.8902 8.0166 8.0166 8.0553 8.0553 8.9118 8.9118 8.9189 8.9189 9.5525 9.5525 9.5996 9.5996 9.8766 9.8766 9.9508 9.9508 10.9252 10.9252 10.9692 10.9692 11.4380 11.4380 11.4680 11.4680 13.6428 13.6428 13.8406 13.8406 17.3660 17.3660 17.4804 17.4804 18.9605 18.9605 k = 0.1895 0.3283 0.3660 ( 4376 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2401 -36.2401 -36.2401 -36.2401 -36.2226 -36.2226 -36.2226 -36.2226 0.7716 0.7716 0.7781 0.7781 6.8902 6.8902 6.9112 6.9112 8.0316 8.0316 8.0658 8.0658 8.9240 8.9240 8.9336 8.9336 9.5490 9.5490 9.5995 9.5995 9.8620 9.8620 9.9329 9.9329 11.0120 11.0120 11.0577 11.0577 11.4608 11.4608 11.5003 11.5003 13.5753 13.5753 13.7749 13.7749 17.3487 17.3487 17.4631 17.4631 18.9524 18.9524 k = 0.1830 0.3170 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2401 -36.2401 -36.2400 -36.2400 -36.2226 -36.2226 -36.2225 -36.2225 0.7454 0.7454 0.7513 0.7513 6.9156 6.9156 6.9354 6.9354 8.0458 8.0458 8.0761 8.0761 8.9333 8.9333 8.9451 8.9451 9.5460 9.5460 9.6001 9.6001 9.8475 9.8475 9.9159 9.9159 11.1030 11.1030 11.1480 11.1480 11.4813 11.4813 11.5318 11.5318 13.5117 13.5117 13.7131 13.7131 17.3334 17.3334 17.4475 17.4475 18.9384 18.9384 k = 0.1765 0.3057 0.3660 ( 4380 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2400 -36.2400 -36.2400 -36.2400 -36.2226 -36.2226 -36.2225 -36.2225 0.7189 0.7189 0.7243 0.7243 6.9438 6.9438 6.9625 6.9625 8.0591 8.0591 8.0860 8.0860 8.9399 8.9399 8.9535 8.9535 9.5437 9.5437 9.6013 9.6013 9.8335 9.8335 9.8999 9.8999 11.1974 11.1974 11.2382 11.2382 11.4993 11.4993 11.5636 11.5636 13.4530 13.4530 13.6560 13.6560 17.3203 17.3203 17.4339 17.4339 18.9182 18.9182 k = 0.1699 0.2943 0.3660 ( 4372 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6913 -40.6913 -40.6913 -40.6913 -36.2399 -36.2399 -36.2399 -36.2399 -36.2225 -36.2225 -36.2225 -36.2225 0.6921 0.6921 0.6970 0.6970 6.9749 6.9749 6.9925 6.9925 8.0716 8.0716 8.0956 8.0956 8.9439 8.9439 8.9589 8.9589 9.5422 9.5422 9.6030 9.6030 9.8201 9.8201 9.8850 9.8850 11.2941 11.2941 11.3248 11.3248 11.5148 11.5148 11.5979 11.5979 13.3999 13.3999 13.6043 13.6043 17.3096 17.3096 17.4226 17.4226 18.8920 18.8920 k = 0.1634 0.2830 0.3660 ( 4386 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6912 -40.6912 -40.6912 -40.6912 -36.2399 -36.2399 -36.2398 -36.2398 -36.2225 -36.2225 -36.2225 -36.2225 0.6652 0.6652 0.6696 0.6696 7.0086 7.0086 7.0252 7.0252 8.0832 8.0832 8.1046 8.1046 8.9453 8.9453 8.9612 8.9612 9.5416 9.5416 9.6052 9.6052 9.8074 9.8074 9.8711 9.8711 11.3905 11.3905 11.4014 11.4014 11.5294 11.5294 11.6400 11.6400 13.3533 13.3533 13.5585 13.5585 17.3016 17.3016 17.4138 17.4138 18.8602 18.8602 k = 0.1569 0.2717 0.3660 ( 4394 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2398 -36.2398 -36.2398 -36.2398 -36.2225 -36.2225 -36.2225 -36.2225 0.6383 0.6383 0.6422 0.6422 7.0448 7.0448 7.0605 7.0605 8.0940 8.0940 8.1132 8.1132 8.9442 8.9442 8.9608 8.9608 9.5419 9.5419 9.6078 9.6078 9.7956 9.7956 9.8583 9.8583 11.4593 11.4593 11.4731 11.4731 11.5557 11.5557 11.6976 11.6976 13.3140 13.3140 13.5193 13.5193 17.2965 17.2965 17.4079 17.4079 18.8235 18.8235 k = 0.1503 0.2604 0.3660 ( 4386 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2397 -36.2397 -36.2397 -36.2397 -36.2225 -36.2225 -36.2225 -36.2225 0.6116 0.6116 0.6150 0.6150 7.0834 7.0834 7.0982 7.0982 8.1038 8.1038 8.1211 8.1211 8.9409 8.9409 8.9576 8.9576 9.5432 9.5432 9.6109 9.6109 9.7849 9.7849 9.8465 9.8465 11.4943 11.4943 11.5055 11.5055 11.6296 11.6296 11.7742 11.7742 13.2826 13.2826 13.4872 13.4872 17.2947 17.2947 17.4050 17.4050 18.7826 18.7826 k = 0.1438 0.2491 0.3660 ( 4386 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6912 -40.6912 -36.2396 -36.2396 -36.2396 -36.2396 -36.2225 -36.2225 -36.2225 -36.2225 0.5850 0.5850 0.5880 0.5880 7.1242 7.1242 7.1381 7.1381 8.1128 8.1128 8.1284 8.1284 8.9354 8.9354 8.9519 8.9519 9.5456 9.5456 9.6142 9.6142 9.7751 9.7751 9.8356 9.8356 11.5078 11.5078 11.5099 11.5099 11.7302 11.7302 11.8653 11.8653 13.2596 13.2596 13.4623 13.4623 17.2962 17.2962 17.4055 17.4055 18.7383 18.7383 k = 0.1373 0.2377 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6912 -40.6912 -40.6911 -40.6911 -36.2396 -36.2396 -36.2396 -36.2396 -36.2225 -36.2225 -36.2225 -36.2225 0.5588 0.5588 0.5614 0.5614 7.1671 7.1671 7.1802 7.1802 8.1209 8.1209 8.1351 8.1351 8.9278 8.9278 8.9438 8.9438 9.5488 9.5488 9.6178 9.6178 9.7663 9.7663 9.8256 9.8256 11.5001 11.5001 11.5116 11.5116 11.8368 11.8368 11.9647 11.9647 13.2453 13.2453 13.4449 13.4449 17.3013 17.3013 17.4095 17.4095 18.6912 18.6912 k = 0.1307 0.2264 0.3660 ( 4376 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2395 -36.2395 -36.2395 -36.2395 -36.2225 -36.2225 -36.2225 -36.2225 0.5330 0.5330 0.5353 0.5353 7.2119 7.2119 7.2243 7.2243 8.1280 8.1280 8.1410 8.1410 8.9184 8.9184 8.9335 8.9335 9.5531 9.5531 9.6216 9.6216 9.7585 9.7585 9.8164 9.8164 11.4860 11.4860 11.5032 11.5032 11.9456 11.9456 12.0685 12.0685 13.2396 13.2396 13.4347 13.4347 17.3101 17.3101 17.4171 17.4171 18.6420 18.6420 k = 0.1242 0.2151 0.3660 ( 4376 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2394 -36.2394 -36.2394 -36.2394 -36.2225 -36.2225 -36.2225 -36.2225 0.5079 0.5079 0.5098 0.5098 7.2584 7.2584 7.2701 7.2701 8.1343 8.1343 8.1462 8.1462 8.9070 8.9070 8.9211 8.9211 9.5582 9.5582 9.6254 9.6254 9.7517 9.7517 9.8079 9.8079 11.4665 11.4665 11.4866 11.4866 12.0556 12.0556 12.1745 12.1745 13.2423 13.2423 13.4316 13.4316 17.3227 17.3227 17.4284 17.4284 18.5914 18.5914 k = 0.1176 0.2038 0.3660 ( 4376 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2394 -36.2394 -36.2394 -36.2394 -36.2225 -36.2225 -36.2225 -36.2225 0.4834 0.4834 0.4850 0.4850 7.3066 7.3066 7.3175 7.3175 8.1396 8.1396 8.1507 8.1507 8.8940 8.8940 8.9068 8.9068 9.5640 9.5640 9.6293 9.6293 9.7457 9.7457 9.7999 9.7999 11.4423 11.4423 11.4635 11.4635 12.1659 12.1659 12.2813 12.2813 13.2528 13.2528 13.4351 13.4351 17.3392 17.3392 17.4433 17.4433 18.5398 18.5398 k = 0.1111 0.1925 0.3660 ( 4388 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6911 -40.6911 -40.6911 -40.6911 -36.2393 -36.2393 -36.2393 -36.2393 -36.2225 -36.2225 -36.2225 -36.2225 0.4596 0.4596 0.4610 0.4610 7.3561 7.3561 7.3664 7.3664 8.1442 8.1442 8.1544 8.1544 8.8792 8.8792 8.8907 8.8907 9.5705 9.5705 9.6331 9.6331 9.7406 9.7406 9.7924 9.7924 11.4140 11.4140 11.4349 11.4349 12.2760 12.2760 12.3879 12.3879 13.2705 13.2705 13.4445 13.4445 17.3592 17.3592 17.4618 17.4618 18.4879 18.4879 k = 0.1046 0.1811 0.3660 ( 4380 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2392 -36.2392 -36.2392 -36.2392 -36.2225 -36.2225 -36.2225 -36.2225 0.4367 0.4367 0.4379 0.4379 7.4069 7.4069 7.4165 7.4165 8.1480 8.1480 8.1575 8.1575 8.8629 8.8629 8.8730 8.8730 9.5777 9.5777 9.6370 9.6370 9.7364 9.7364 9.7855 9.7855 11.3825 11.3825 11.4023 11.4023 12.3856 12.3856 12.4935 12.4935 13.2945 13.2945 13.4591 13.4591 17.3826 17.3826 17.4833 17.4833 18.4364 18.4364 k = 0.0980 0.1698 0.3660 ( 4384 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2392 -36.2392 -36.2392 -36.2392 -36.2224 -36.2224 -36.2224 -36.2224 0.4148 0.4148 0.4158 0.4158 7.4587 7.4587 7.4676 7.4676 8.1511 8.1511 8.1599 8.1599 8.8450 8.8450 8.8536 8.8536 9.5853 9.5853 9.6407 9.6407 9.7328 9.7328 9.7788 9.7788 11.3485 11.3485 11.3664 11.3664 12.4940 12.4940 12.5973 12.5973 13.3240 13.3240 13.4781 13.4781 17.4086 17.4086 17.5072 17.5072 18.3863 18.3863 k = 0.0915 0.1585 0.3660 ( 4388 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2391 -36.2391 -36.2391 -36.2391 -36.2224 -36.2224 -36.2224 -36.2224 0.3939 0.3939 0.3947 0.3947 7.5114 7.5114 7.5195 7.5195 8.1535 8.1535 8.1617 8.1617 8.8255 8.8255 8.8327 8.8327 9.5933 9.5933 9.6444 9.6444 9.7298 9.7298 9.7724 9.7724 11.3127 11.3127 11.3285 11.3285 12.6007 12.6007 12.6986 12.6987 13.3582 13.3582 13.5009 13.5009 17.4362 17.4362 17.5321 17.5321 18.3390 18.3390 k = 0.0850 0.1472 0.3660 ( 4384 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2391 -36.2391 -36.2391 -36.2391 -36.2224 -36.2224 -36.2224 -36.2224 0.3741 0.3741 0.3747 0.3747 7.5646 7.5646 7.5721 7.5721 8.1554 8.1554 8.1631 8.1631 8.8044 8.8044 8.8103 8.8103 9.6016 9.6016 9.6480 9.6480 9.7274 9.7274 9.7663 9.7663 11.2758 11.2758 11.2894 11.2894 12.7050 12.7050 12.7966 12.7966 13.3964 13.3964 13.5265 13.5265 17.4640 17.4640 17.5561 17.5561 18.2965 18.2965 k = 0.0784 0.1358 0.3660 ( 4380 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6910 -40.6910 -40.6910 -40.6910 -36.2390 -36.2390 -36.2390 -36.2390 -36.2224 -36.2224 -36.2224 -36.2224 0.3555 0.3555 0.3560 0.3560 7.6182 7.6182 7.6251 7.6251 8.1569 8.1569 8.1640 8.1640 8.7818 8.7818 8.7865 8.7865 9.6100 9.6100 9.6515 9.6515 9.7253 9.7253 9.7604 9.7604 11.2387 11.2387 11.2501 11.2501 12.8063 12.8063 12.8905 12.8905 13.4377 13.4377 13.5545 13.5545 17.4897 17.4897 17.5762 17.5762 18.2621 18.2621 k = 0.0719 0.1245 0.3660 ( 4380 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2390 -36.2390 -36.2390 -36.2390 -36.2224 -36.2224 -36.2224 -36.2224 0.3381 0.3381 0.3385 0.3385 7.6720 7.6720 7.6782 7.6782 8.1581 8.1581 8.1646 8.1646 8.7577 8.7577 8.7613 8.7613 9.6186 9.6186 9.6549 9.6549 9.7235 9.7235 9.7545 9.7545 11.2020 11.2020 11.2112 11.2112 12.9036 12.9036 12.9793 12.9793 13.4815 13.4815 13.5841 13.5841 17.5102 17.5102 17.5886 17.5886 18.2396 18.2396 k = 0.0654 0.1132 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2389 -36.2389 -36.2389 -36.2389 -36.2224 -36.2224 -36.2224 -36.2224 0.3221 0.3221 0.3223 0.3223 7.7255 7.7255 7.7311 7.7311 8.1590 8.1590 8.1649 8.1649 8.7320 8.7320 8.7347 8.7347 9.6271 9.6271 9.6582 9.6582 9.7220 9.7220 9.7489 9.7489 11.1663 11.1663 11.1735 11.1735 12.9962 12.9962 13.0621 13.0621 13.5274 13.5274 13.6150 13.6150 17.5222 17.5223 17.5896 17.5896 18.2334 18.2334 k = 0.0588 0.1019 0.3660 ( 4390 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2389 -36.2389 -36.2389 -36.2389 -36.2224 -36.2224 -36.2224 -36.2224 0.3074 0.3074 0.3076 0.3076 7.7784 7.7784 7.7834 7.7834 8.1598 8.1598 8.1651 8.1651 8.7049 8.7049 8.7067 8.7067 9.6354 9.6354 9.6614 9.6614 9.7205 9.7205 9.7432 9.7432 11.1322 11.1322 11.1377 11.1377 13.0828 13.0828 13.1380 13.1380 13.5745 13.5745 13.6467 13.6467 17.5229 17.5229 17.5768 17.5768 18.2462 18.2462 k = 0.0523 0.0906 0.3660 ( 4386 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2941 0.2941 0.2942 0.2942 7.8304 7.8304 7.8348 7.8348 8.1607 8.1607 8.1654 8.1654 8.6764 8.6764 8.6777 8.6777 9.6436 9.6436 9.6648 9.6648 9.7191 9.7191 9.7378 9.7378 11.1003 11.1003 11.1042 11.1042 13.1623 13.1623 13.2064 13.2064 13.6222 13.6222 13.6789 13.6789 17.5112 17.5112 17.5512 17.5512 18.2777 18.2777 k = 0.0458 0.0792 0.3660 ( 4394 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2823 0.2823 0.2823 0.2824 7.8808 7.8808 7.8845 7.8845 8.1620 8.1620 8.1660 8.1660 8.6468 8.6468 8.6475 8.6475 9.6515 9.6515 9.6680 9.6680 9.7175 9.7175 9.7323 9.7323 11.0709 11.0709 11.0737 11.0737 13.2337 13.2337 13.2665 13.2665 13.6695 13.6695 13.7113 13.7113 17.4885 17.4885 17.5158 17.5158 18.3252 18.3252 k = 0.0392 0.0679 0.3660 ( 4402 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2719 0.2719 0.2720 0.2720 7.9289 7.9289 7.9319 7.9319 8.1638 8.1638 8.1671 8.1671 8.6164 8.6164 8.6168 8.6168 9.6590 9.6590 9.6713 9.6713 9.7158 9.7158 9.7270 9.7270 11.0446 11.0446 11.0464 11.0464 13.2957 13.2957 13.3184 13.3184 13.7148 13.7148 13.7435 13.7435 17.4579 17.4579 17.4752 17.4752 18.3846 18.3846 k = 0.0327 0.0566 0.3660 ( 4402 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2388 -36.2388 -36.2388 -36.2388 -36.2224 -36.2224 -36.2224 -36.2224 0.2631 0.2631 0.2632 0.2632 7.9735 7.9735 7.9758 7.9758 8.1668 8.1668 8.1694 8.1694 8.5857 8.5857 8.5859 8.5859 9.6661 9.6661 9.6747 9.6747 9.7140 9.7140 9.7219 9.7219 11.0217 11.0217 11.0228 11.0228 13.3479 13.3479 13.3619 13.3619 13.7569 13.7569 13.7746 13.7746 17.4236 17.4236 17.4335 17.4335 18.4508 18.4508 k = 0.0261 0.0453 0.3660 ( 4402 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2559 0.2559 0.2559 0.2559 8.0130 8.0130 8.0146 8.0146 8.1715 8.1715 8.1733 8.1733 8.5556 8.5556 8.5556 8.5556 9.6727 9.6727 9.6782 9.6782 9.7118 9.7118 9.7169 9.7169 11.0025 11.0025 11.0031 11.0031 13.3897 13.3897 13.3972 13.3972 13.7940 13.7940 13.8035 13.8035 17.3895 17.3895 17.3946 17.3946 18.5181 18.5181 k = 0.0196 0.0340 0.3660 ( 4394 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2502 0.2502 0.2502 0.2502 8.0453 8.0453 8.0462 8.0462 8.1786 8.1786 8.1796 8.1796 8.5275 8.5275 8.5276 8.5276 9.6787 9.6787 9.6817 9.6817 9.7095 9.7095 9.7123 9.7123 10.9873 10.9873 10.9876 10.9876 13.4213 13.4213 13.4246 13.4246 13.8245 13.8245 13.8286 13.8286 17.3592 17.3592 17.3613 17.3613 18.5782 18.5788 k = 0.0131 0.0226 0.3660 ( 4390 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2462 0.2462 0.2462 0.2462 8.0684 8.0684 8.0687 8.0687 8.1876 8.1876 8.1880 8.1880 8.5037 8.5037 8.5037 8.5037 9.6839 9.6839 9.6850 9.6850 9.7070 9.7070 9.7081 9.7081 10.9763 10.9763 10.9764 10.9764 13.4432 13.4432 13.4442 13.4442 13.8471 13.8471 13.8484 13.8484 17.3354 17.3354 17.3360 17.3360 18.6208 18.6208 k = 0.0065 0.0113 0.3660 ( 4374 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2437 0.2437 0.2437 0.2437 8.0816 8.0816 8.0816 8.0816 8.1959 8.1959 8.1960 8.1960 8.4871 8.4871 8.4871 8.4871 9.6877 9.6877 9.6879 9.6879 9.7047 9.7047 9.7049 9.7049 10.9696 10.9696 10.9697 10.9697 13.4560 13.4560 13.4561 13.4561 13.8610 13.8610 13.8611 13.8611 17.3202 17.3202 17.3202 17.3202 18.6415 18.6416 k = 0.0000 0.0000 0.3660 ( 4382 PWs) bands (ev): -71.8509 -71.8509 -71.8509 -71.8509 -40.6909 -40.6909 -40.6909 -40.6909 -36.2387 -36.2387 -36.2387 -36.2387 -36.2224 -36.2224 -36.2224 -36.2224 0.2429 0.2429 0.2429 0.2429 8.0857 8.0857 8.0857 8.0857 8.1993 8.1993 8.1993 8.1993 8.4811 8.4811 8.4811 8.4811 9.6892 9.6892 9.6892 9.6892 9.7035 9.7035 9.7035 9.7035 10.9674 10.9674 10.9674 10.9674 13.4601 13.4601 13.4601 13.4601 13.8656 13.8656 13.8656 13.8656 17.3149 17.3149 17.3149 17.3149 18.6469 18.6469 k = 0.5000 0.2887 0.3660 ( 4364 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6915 -40.6915 -40.6915 -40.6915 -36.2406 -36.2406 -36.2406 -36.2406 -36.2226 -36.2226 -36.2226 -36.2226 0.9937 0.9937 0.9937 0.9937 6.5150 6.5150 6.5150 6.5150 8.1628 8.1628 8.1628 8.1628 8.7584 8.7584 8.7584 8.7584 9.6788 9.6788 9.6788 9.6788 9.9761 9.9761 9.9761 9.9761 10.2570 10.2570 10.2570 10.2570 12.3485 12.3485 12.3485 12.3485 13.2763 13.2763 13.2763 13.2763 16.2032 16.2032 16.2032 16.2032 19.3525 19.3525 k = 0.5000 0.2887 0.3530 ( 4362 PWs) bands (ev): -71.8511 -71.8511 -71.8504 -71.8504 -40.6924 -40.6924 -40.6905 -40.6905 -36.2411 -36.2411 -36.2401 -36.2401 -36.2258 -36.2258 -36.2194 -36.2194 0.9881 0.9881 0.9990 0.9990 6.4790 6.4790 6.5534 6.5534 8.1239 8.1239 8.2025 8.2025 8.7307 8.7307 8.7856 8.7856 9.6371 9.6371 9.7188 9.7188 9.9670 9.9670 9.9868 9.9868 10.2421 10.2421 10.2729 10.2729 12.2515 12.2515 12.4469 12.4469 13.1789 13.1789 13.3725 13.3725 16.0973 16.0973 16.3057 16.3057 19.3296 19.3296 k = 0.5000 0.2887 0.3399 ( 4360 PWs) bands (ev): -71.8515 -71.8515 -71.8501 -71.8501 -40.6934 -40.6934 -40.6895 -40.6895 -36.2416 -36.2416 -36.2396 -36.2396 -36.2289 -36.2289 -36.2163 -36.2163 0.9822 0.9822 1.0040 1.0040 6.4455 6.4455 6.5944 6.5944 8.0859 8.0859 8.2428 8.2428 8.7029 8.7029 8.8122 8.8122 9.5950 9.5950 9.7555 9.7555 9.9603 9.9603 9.9986 9.9986 10.2288 10.2288 10.2896 10.2896 12.1559 12.1559 12.5459 12.5459 13.0812 13.0812 13.4667 13.4667 15.9902 15.9902 16.4028 16.4028 19.3200 19.3200 k = 0.5000 0.2887 0.3268 ( 4356 PWs) bands (ev): -71.8518 -71.8518 -71.8497 -71.8497 -40.6944 -40.6944 -40.6886 -40.6886 -36.2421 -36.2421 -36.2391 -36.2391 -36.2320 -36.2320 -36.2131 -36.2131 0.9760 0.9760 1.0085 1.0085 6.4144 6.4144 6.6379 6.6379 8.0488 8.0488 8.2836 8.2836 8.6751 8.6751 8.8380 8.8380 9.5531 9.5531 9.7864 9.7864 9.9573 9.9573 10.0112 10.0112 10.2176 10.2176 10.3069 10.3069 12.0620 12.0620 12.6442 12.6442 12.9853 12.9853 13.5583 13.5583 15.8841 15.8841 16.4925 16.4925 19.3253 19.3253 k = 0.5000 0.2887 0.3137 ( 4358 PWs) bands (ev): -71.8522 -71.8522 -71.8494 -71.8494 -40.6953 -40.6953 -40.6876 -40.6876 -36.2426 -36.2426 -36.2387 -36.2387 -36.2350 -36.2350 -36.2100 -36.2100 0.9696 0.9696 1.0127 1.0127 6.3857 6.3857 6.6838 6.6838 8.0127 8.0127 8.3248 8.3248 8.6476 8.6476 8.8628 8.8628 9.5119 9.5119 9.8087 9.8087 9.9597 9.9597 10.0246 10.0246 10.2095 10.2095 10.3245 10.3245 11.9700 11.9700 12.7326 12.7326 12.9001 12.9001 13.6461 13.6461 15.7812 15.7812 16.5734 16.5734 19.3467 19.3467 k = 0.5000 0.2887 0.3007 ( 4358 PWs) bands (ev): -71.8525 -71.8525 -71.8491 -71.8491 -40.6963 -40.6963 -40.6867 -40.6867 -36.2431 -36.2431 -36.2388 -36.2388 -36.2375 -36.2375 -36.2069 -36.2069 0.9630 0.9630 1.0165 1.0165 6.3593 6.3593 6.7322 6.7322 7.9777 7.9777 8.3660 8.3660 8.6208 8.6208 8.8865 8.8865 9.4720 9.4720 9.8208 9.8208 9.9672 9.9672 10.0383 10.0383 10.2058 10.2058 10.3425 10.3425 11.8797 11.8797 12.7419 12.7419 12.8955 12.8955 13.7291 13.7291 15.6840 15.6840 16.6440 16.6440 19.3851 19.3851 k = 0.5000 0.2887 0.2876 ( 4354 PWs) bands (ev): -71.8528 -71.8528 -71.8488 -71.8488 -40.6972 -40.6972 -40.6858 -40.6858 -36.2436 -36.2436 -36.2413 -36.2413 -36.2374 -36.2374 -36.2039 -36.2039 0.9562 0.9562 1.0199 1.0199 6.3350 6.3350 6.7829 6.7829 7.9440 7.9440 8.4067 8.4067 8.5953 8.5953 8.9090 8.9090 9.4337 9.4337 9.8238 9.8238 9.9774 9.9774 10.0515 10.0515 10.2085 10.2085 10.3606 10.3606 11.7914 11.7914 12.6603 12.6603 12.9833 12.9833 13.8059 13.8059 15.5952 15.5952 16.7037 16.7037 19.4403 19.4403 k = 0.5000 0.2887 0.2745 ( 4358 PWs) bands (ev): -71.8531 -71.8531 -71.8484 -71.8484 -40.6981 -40.6981 -40.6849 -40.6849 -36.2443 -36.2443 -36.2440 -36.2440 -36.2370 -36.2370 -36.2009 -36.2009 0.9493 0.9493 1.0230 1.0230 6.3129 6.3129 6.8359 6.8359 7.9113 7.9113 8.4457 8.4457 8.5723 8.5723 8.9301 8.9301 9.3973 9.3973 9.8206 9.8206 9.9866 9.9866 10.0628 10.0628 10.2190 10.2190 10.3787 10.3787 11.7051 11.7051 12.5657 12.5657 13.0858 13.0858 13.8746 13.8746 15.5177 15.5177 16.7522 16.7522 19.5108 19.5108 k = 0.5000 0.2887 0.2614 ( 4372 PWs) bands (ev): -71.8535 -71.8535 -71.8481 -71.8481 -40.6990 -40.6990 -40.6840 -40.6840 -36.2471 -36.2471 -36.2445 -36.2445 -36.2366 -36.2366 -36.1980 -36.1980 0.9423 0.9423 1.0256 1.0256 6.2929 6.2929 6.8911 6.8911 7.8799 7.8799 8.4787 8.4787 8.5559 8.5559 8.9498 8.9498 9.3630 9.3630 9.8138 9.8138 9.9926 9.9926 10.0712 10.0712 10.2374 10.2374 10.3968 10.3968 11.6209 11.6209 12.4694 12.4694 13.1917 13.1917 13.9332 13.9332 15.4546 15.4546 16.7899 16.7899 19.5910 19.5910 k = 0.5000 0.2887 0.2484 ( 4372 PWs) bands (ev): -71.8538 -71.8538 -71.8478 -71.8478 -40.6999 -40.6999 -40.6832 -40.6832 -36.2499 -36.2499 -36.2449 -36.2449 -36.2362 -36.2362 -36.1951 -36.1951 0.9353 0.9353 1.0279 1.0279 6.2747 6.2747 6.9484 6.9484 7.8498 7.8498 8.4912 8.4912 8.5606 8.5606 8.9681 8.9681 9.3311 9.3311 9.8048 9.8048 9.9949 9.9949 10.0775 10.0775 10.2619 10.2619 10.4149 10.4149 11.5388 11.5388 12.3736 12.3736 13.2989 13.2989 13.9797 13.9797 15.4091 15.4091 16.8176 16.8176 19.6613 19.6613 k = 0.5000 0.2887 0.2353 ( 4360 PWs) bands (ev): -71.8541 -71.8541 -71.8475 -71.8475 -40.7007 -40.7007 -40.6824 -40.6824 -36.2525 -36.2525 -36.2454 -36.2454 -36.2357 -36.2357 -36.1924 -36.1924 0.9283 0.9283 1.0298 1.0298 6.2583 6.2583 7.0076 7.0076 7.8211 7.8211 8.4807 8.4807 8.5887 8.5887 8.9850 8.9850 9.3020 9.3020 9.7947 9.7947 9.9937 9.9937 10.0824 10.0824 10.2897 10.2897 10.4330 10.4330 11.4592 11.4592 12.2792 12.2792 13.4062 13.4062 14.0128 14.0128 15.3838 15.3838 16.8365 16.8365 19.6781 19.6781 k = 0.5000 0.2887 0.2222 ( 4356 PWs) bands (ev): -71.8543 -71.8543 -71.8472 -71.8472 -40.7015 -40.7015 -40.6816 -40.6816 -36.2551 -36.2551 -36.2458 -36.2458 -36.2353 -36.2353 -36.1897 -36.1897 0.9214 0.9214 1.0314 1.0314 6.2436 6.2436 7.0685 7.0685 7.7937 7.7937 8.4638 8.4638 8.6229 8.6229 9.0006 9.0006 9.2760 9.2760 9.7838 9.7838 9.9897 9.9897 10.0865 10.0865 10.3185 10.3185 10.4509 10.4509 11.3818 11.3818 12.1867 12.1867 13.5126 13.5126 14.0324 14.0324 15.3804 15.3804 16.8477 16.8477 19.6250 19.6250 k = 0.5000 0.2887 0.2092 ( 4356 PWs) bands (ev): -71.8546 -71.8546 -71.8469 -71.8469 -40.7023 -40.7023 -40.6808 -40.6808 -36.2576 -36.2576 -36.2462 -36.2462 -36.2349 -36.2349 -36.1871 -36.1871 0.9145 0.9145 1.0327 1.0327 6.2304 6.2304 7.1310 7.1310 7.7677 7.7677 8.4465 8.4465 8.6567 8.6567 9.0149 9.0149 9.2536 9.2536 9.7725 9.7725 9.9837 9.9837 10.0898 10.0898 10.3465 10.3465 10.4687 10.4687 11.3070 11.3070 12.0964 12.0964 13.6159 13.6159 14.0407 14.0407 15.3989 15.3989 16.8528 16.8528 19.5160 19.5160 k = 0.5000 0.2887 0.1961 ( 4348 PWs) bands (ev): -71.8549 -71.8549 -71.8467 -71.8467 -40.7031 -40.7031 -40.6801 -40.6801 -36.2600 -36.2600 -36.2466 -36.2466 -36.2345 -36.2345 -36.1847 -36.1847 0.9078 0.9078 1.0337 1.0337 6.2187 6.2187 7.1947 7.1947 7.7434 7.7434 8.4302 8.4302 8.6876 8.6876 9.0281 9.0281 9.2355 9.2355 9.7611 9.7611 9.9766 9.9766 10.0922 10.0922 10.3726 10.3726 10.4864 10.4864 11.2349 11.2349 12.0091 12.0091 13.7119 13.7119 14.0440 14.0440 15.4377 15.4377 16.8529 16.8529 19.3760 19.3760 k = 0.5000 0.2887 0.1830 ( 4352 PWs) bands (ev): -71.8551 -71.8551 -71.8464 -71.8464 -40.7038 -40.7038 -40.6794 -40.6794 -36.2623 -36.2623 -36.2470 -36.2470 -36.2341 -36.2341 -36.1823 -36.1823 0.9014 0.9014 1.0344 1.0344 6.2082 6.2082 7.2595 7.2595 7.7205 7.7205 8.4155 8.4155 8.7141 8.7141 9.0403 9.0403 9.2225 9.2225 9.7495 9.7495 9.9688 9.9688 10.0934 10.0934 10.3960 10.3960 10.5038 10.5038 11.1657 11.1657 11.9249 11.9249 13.7901 13.7901 14.0551 14.0551 15.4944 15.4944 16.8491 16.8491 19.2237 19.2237 k = 0.5000 0.2887 0.1699 ( 4360 PWs) bands (ev): -71.8554 -71.8554 -71.8462 -71.8462 -40.7045 -40.7045 -40.6788 -40.6788 -36.2644 -36.2644 -36.2473 -36.2473 -36.2338 -36.2338 -36.1801 -36.1801 0.8951 0.8951 1.0349 1.0349 6.1990 6.1990 7.3249 7.3249 7.6992 7.6992 8.4025 8.4025 8.7347 8.7347 9.0513 9.0513 9.2157 9.2157 9.7380 9.7380 9.9607 9.9607 10.0932 10.0932 10.4162 10.4162 10.5208 10.5208 11.0996 11.0996 11.8442 11.8442 13.8335 13.8335 14.0941 14.0941 15.5660 15.5660 16.8426 16.8426 19.0679 19.0679 k = 0.5000 0.2887 0.1569 ( 4364 PWs) bands (ev): -71.8556 -71.8556 -71.8460 -71.8460 -40.7051 -40.7051 -40.6782 -40.6782 -36.2664 -36.2664 -36.2476 -36.2476 -36.2335 -36.2335 -36.1780 -36.1780 0.8891 0.8891 1.0352 1.0352 6.1908 6.1908 7.3905 7.3905 7.6797 7.6797 8.3914 8.3914 8.7486 8.7486 9.0605 9.0605 9.2165 9.2165 9.7265 9.7265 9.9526 9.9526 10.0913 10.0913 10.4331 10.4331 10.5371 10.5371 11.0369 11.0369 11.7676 11.7676 13.8390 13.8390 14.1664 14.1664 15.6499 15.6499 16.8341 16.8341 18.9129 18.9129 k = 0.5000 0.2887 0.1438 ( 4360 PWs) bands (ev): -71.8558 -71.8558 -71.8458 -71.8458 -40.7057 -40.7057 -40.6776 -40.6776 -36.2683 -36.2683 -36.2479 -36.2479 -36.2332 -36.2332 -36.1761 -36.1761 0.8835 0.8835 1.0353 1.0353 6.1836 6.1836 7.4555 7.4555 7.6626 7.6626 8.3821 8.3821 8.7552 8.7552 9.0673 9.0673 9.2257 9.2257 9.7153 9.7153 9.9447 9.9447 10.0877 10.0877 10.4468 10.4468 10.5527 10.5527 10.9779 10.9779 11.6955 11.6955 13.8232 13.8232 14.2574 14.2574 15.7436 15.7436 16.8244 16.8244 18.7609 18.7609 k = 0.5000 0.2887 0.1307 ( 4368 PWs) bands (ev): -71.8560 -71.8560 -71.8456 -71.8456 -40.7062 -40.7062 -40.6771 -40.6771 -36.2700 -36.2700 -36.2482 -36.2482 -36.2329 -36.2329 -36.1743 -36.1743 0.8782 0.8782 1.0353 1.0353 6.1773 6.1773 7.5181 7.5181 7.6490 7.6490 8.3747 8.3747 8.7547 8.7547 9.0713 9.0713 9.2432 9.2432 9.7043 9.7043 9.9370 9.9370 10.0821 10.0821 10.4574 10.4574 10.5668 10.5668 10.9229 10.9229 11.6283 11.6283 13.7991 13.7991 14.3551 14.3551 15.8452 15.8452 16.8140 16.8140 18.6136 18.6136 k = 0.5000 0.2887 0.1177 ( 4364 PWs) bands (ev): -71.8562 -71.8562 -71.8454 -71.8454 -40.7067 -40.7067 -40.6766 -40.6766 -36.2716 -36.2716 -36.2485 -36.2485 -36.2326 -36.2326 -36.1727 -36.1727 0.8733 0.8733 1.0352 1.0352 6.1718 6.1718 7.5716 7.5716 7.6453 7.6453 8.3691 8.3691 8.7478 8.7478 9.0727 9.0727 9.2677 9.2677 9.6937 9.6937 9.9299 9.9299 10.0744 10.0744 10.4652 10.4652 10.5795 10.5795 10.8726 10.8726 11.5663 11.5663 13.7727 13.7727 14.4540 14.4540 15.9530 15.9530 16.8036 16.8036 18.4725 18.4725 k = 0.5000 0.2887 0.1046 ( 4370 PWs) bands (ev): -71.8564 -71.8564 -71.8452 -71.8452 -40.7072 -40.7072 -40.6762 -40.6762 -36.2730 -36.2730 -36.2487 -36.2487 -36.2324 -36.2324 -36.1712 -36.1712 0.8689 0.8689 1.0350 1.0350 6.1670 6.1670 7.5928 7.5928 7.6739 7.6739 8.3651 8.3651 8.7355 8.7355 9.0723 9.0723 9.2973 9.2973 9.6836 9.6836 9.9231 9.9231 10.0646 10.0646 10.4702 10.4702 10.5905 10.5905 10.8273 10.8273 11.5099 11.5099 13.7468 13.7468 14.5510 14.5510 16.0656 16.0656 16.7934 16.7934 18.3388 18.3388 k = 0.5000 0.2887 0.0915 ( 4378 PWs) bands (ev): -71.8565 -71.8565 -71.8451 -71.8451 -40.7076 -40.7076 -40.6758 -40.6758 -36.2743 -36.2743 -36.2489 -36.2489 -36.2322 -36.2322 -36.1699 -36.1699 0.8648 0.8648 1.0348 1.0348 6.1630 6.1630 7.5891 7.5891 7.7266 7.7266 8.3627 8.3627 8.7189 8.7189 9.0708 9.0708 9.3301 9.3301 9.6741 9.6741 9.9169 9.9169 10.0528 10.0528 10.4728 10.4728 10.5998 10.5998 10.7875 10.7875 11.4595 11.4595 13.7229 13.7229 14.6441 14.6441 16.1814 16.1814 16.7838 16.7838 18.2141 18.2141 k = 0.5000 0.2887 0.0784 ( 4370 PWs) bands (ev): -71.8566 -71.8566 -71.8450 -71.8450 -40.7079 -40.7079 -40.6755 -40.6755 -36.2754 -36.2754 -36.2491 -36.2491 -36.2320 -36.2320 -36.1687 -36.1687 0.8613 0.8613 1.0345 1.0345 6.1595 6.1595 7.5812 7.5812 7.7819 7.7819 8.3618 8.3618 8.6991 8.6991 9.0686 9.0686 9.3644 9.3644 9.6653 9.6653 9.9111 9.9111 10.0394 10.0394 10.4734 10.4734 10.6074 10.6074 10.7538 10.7538 11.4153 11.4153 13.7018 13.7018 14.7311 14.7311 16.2989 16.2989 16.7751 16.7751 18.1003 18.1003 k = 0.5000 0.2887 0.0654 ( 4370 PWs) bands (ev): -71.8567 -71.8567 -71.8449 -71.8449 -40.7083 -40.7083 -40.6752 -40.6752 -36.2764 -36.2764 -36.2493 -36.2493 -36.2318 -36.2318 -36.1677 -36.1677 0.8583 0.8583 1.0342 1.0342 6.1567 6.1567 7.5734 7.5734 7.8343 7.8343 8.3623 8.3623 8.6774 8.6774 9.0662 9.0662 9.3984 9.3984 9.6574 9.6574 9.9058 9.9058 10.0248 10.0248 10.4722 10.4722 10.6131 10.6131 10.7264 10.7264 11.3776 11.3776 13.6838 13.6838 14.8103 14.8103 16.4157 16.4157 16.7674 16.7674 17.9995 17.9995 k = 0.5000 0.2887 0.0523 ( 4364 PWs) bands (ev): -71.8568 -71.8568 -71.8448 -71.8448 -40.7085 -40.7085 -40.6749 -40.6749 -36.2771 -36.2771 -36.2494 -36.2494 -36.2317 -36.2317 -36.1669 -36.1669 0.8558 0.8558 1.0340 1.0340 6.1544 6.1544 7.5667 7.5667 7.8814 7.8814 8.3639 8.3639 8.6550 8.6550 9.0638 9.0638 9.4305 9.4305 9.6504 9.6504 9.9010 9.9010 10.0101 10.0101 10.4698 10.4698 10.6170 10.6170 10.7054 10.7054 11.3466 11.3466 13.6690 13.6690 14.8793 14.8793 16.5288 16.5288 16.7610 16.7610 17.9140 17.9140 k = 0.5000 0.2887 0.0392 ( 4368 PWs) bands (ev): -71.8569 -71.8569 -71.8447 -71.8447 -40.7087 -40.7087 -40.6748 -40.6748 -36.2777 -36.2777 -36.2495 -36.2495 -36.2316 -36.2316 -36.1663 -36.1663 0.8538 0.8538 1.0338 1.0338 6.1526 6.1526 7.5612 7.5612 7.9212 7.9212 8.3664 8.3664 8.6338 8.6338 9.0617 9.0617 9.4590 9.4590 9.6445 9.6445 9.8966 9.8966 9.9964 9.9964 10.4669 10.4669 10.6192 10.6192 10.6904 10.6904 11.3223 11.3223 13.6577 13.6577 14.9361 14.9361 16.6330 16.6330 16.7560 16.7560 17.8469 17.8469 k = 0.5000 0.2887 0.0261 ( 4362 PWs) bands (ev): -71.8569 -71.8569 -71.8446 -71.8446 -40.7088 -40.7088 -40.6746 -40.6746 -36.2782 -36.2782 -36.2496 -36.2496 -36.2315 -36.2315 -36.1658 -36.1658 0.8524 0.8524 1.0336 1.0336 6.1514 6.1514 7.5573 7.5573 7.9516 7.9516 8.3693 8.3693 8.6159 8.6159 9.0601 9.0601 9.4818 9.4818 9.6399 9.6399 9.8929 9.8929 9.9853 9.9853 10.4642 10.4642 10.6200 10.6200 10.6809 10.6809 11.3050 11.3050 13.6496 13.6496 14.9786 14.9786 16.7203 16.7203 16.7532 16.7532 17.8017 17.8017 k = 0.5000 0.2887 0.0131 ( 4364 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2784 -36.2784 -36.2496 -36.2496 -36.2315 -36.2315 -36.1656 -36.1656 0.8515 0.8515 1.0335 1.0335 6.1507 6.1507 7.5549 7.5549 7.9707 7.9707 8.3717 8.3717 8.6037 8.6037 9.0591 9.0591 9.4967 9.4967 9.6369 9.6369 9.8903 9.8903 9.9780 9.9780 10.4622 10.4622 10.6200 10.6200 10.6757 10.6757 11.2946 11.2946 13.6447 13.6447 15.0049 15.0049 16.7486 16.7486 16.7836 16.7836 17.7823 17.7823 k = 0.5000 0.2887-0.0000 ( 4366 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7089 -40.7089 -40.6745 -40.6745 -36.2785 -36.2785 -36.2496 -36.2496 -36.2315 -36.2315 -36.1655 -36.1655 0.8513 0.8513 1.0335 1.0335 6.1504 6.1504 7.5541 7.5541 7.9773 7.9773 8.3726 8.3726 8.5993 8.5993 9.0587 9.0587 9.5019 9.5019 9.6358 9.6358 9.8893 9.8893 9.9754 9.9754 10.4615 10.4615 10.6199 10.6199 10.6741 10.6741 11.2911 11.2911 13.6431 13.6431 15.0138 15.0138 16.7483 16.7483 16.8053 16.8053 17.7834 17.7834 k = 0.3333 0.5774-0.0000 ( 4368 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2785 -36.2785 -36.2499 -36.2499 -36.2317 -36.2317 -36.1655 -36.1655 1.0443 1.0443 1.0615 1.0615 6.3234 6.3234 7.1323 7.1323 7.2807 7.2807 8.3482 8.3482 8.4366 8.4366 8.9490 8.9490 9.6669 9.6669 9.9206 9.9206 10.0416 10.0416 10.5036 10.5036 10.5948 10.5948 10.6431 10.6431 11.5929 11.5929 11.7368 11.7368 12.3266 12.3266 12.3718 12.3718 15.8149 15.8149 18.7553 18.7553 20.0147 20.0147 k = 0.3333 0.5774 0.0131 ( 4362 PWs) bands (ev): -71.8570 -71.8570 -71.8446 -71.8446 -40.7090 -40.7090 -40.6746 -40.6746 -36.2784 -36.2784 -36.2499 -36.2499 -36.2317 -36.2317 -36.1656 -36.1656 1.0444 1.0444 1.0616 1.0616 6.3253 6.3253 7.1318 7.1318 7.2803 7.2803 8.3480 8.3480 8.4364 8.4364 8.9500 8.9500 9.6672 9.6672 9.9145 9.9145 10.0417 10.0417 10.5028 10.5028 10.5950 10.5950 10.6425 10.6425 11.5842 11.5842 11.7276 11.7276 12.3391 12.3391 12.3853 12.3853 15.8206 15.8206 18.7556 18.7556 20.0143 20.0143 k = 0.3333 0.5774 0.0261 ( 4356 PWs) bands (ev): -71.8569 -71.8569 -71.8446 -71.8446 -40.7089 -40.7089 -40.6747 -40.6747 -36.2782 -36.2782 -36.2498 -36.2498 -36.2317 -36.2317 -36.1659 -36.1659 1.0447 1.0447 1.0619 1.0619 6.3309 6.3309 7.1301 7.1301 7.2788 7.2788 8.3478 8.3478 8.4360 8.4360 8.9531 8.9531 9.6682 9.6682 9.8964 9.8964 10.0419 10.0419 10.5005 10.5005 10.5953 10.5953 10.6407 10.6407 11.5597 11.5597 11.7020 11.7020 12.3748 12.3748 12.4237 12.4237 15.8380 15.8380 18.7564 18.7564 20.0130 20.0130 k = 0.3333 0.5774 0.0392 ( 4350 PWs) bands (ev): -71.8569 -71.8569 -71.8447 -71.8447 -40.7087 -40.7087 -40.6748 -40.6748 -36.2777 -36.2777 -36.2497 -36.2497 -36.2318 -36.2318 -36.1663 -36.1663 1.0452 1.0452 1.0624 1.0624 6.3401 6.3401 7.1274 7.1274 7.2764 7.2764 8.3473 8.3473 8.4354 8.4354 8.9583 8.9583 9.6699 9.6699 9.8670 9.8670 10.0422 10.0422 10.4968 10.4968 10.5953 10.5953 10.6376 10.6376 11.5234 11.5234 11.6648 11.6648 12.4296 12.4296 12.4820 12.4820 15.8666 15.8666 18.7576 18.7576 20.0106 20.0106 k = 0.3333 0.5774 0.0523 ( 4347 PWs) bands (ev): -71.8568 -71.8568 -71.8447 -71.8447 -40.7085 -40.7085 -40.6750 -40.6750 -36.2771 -36.2771 -36.2496 -36.2496 -36.2319 -36.2319 -36.1670 -36.1670 1.0459 1.0459 1.0631 1.0631 6.3531 6.3531 7.1235 7.1235 7.2730 7.2730 8.3466 8.3466 8.4345 8.4345 8.9655 8.9655 9.6721 9.6721 9.8273 9.8273 10.0423 10.0423 10.4919 10.4919 10.5944 10.5944 10.6334 10.6334 11.4793 11.4793 11.6210 11.6210 12.4993 12.4993 12.5553 12.5553 15.9064 15.9064 18.7594 18.7594 20.0063 20.0063 k = 0.3333 0.5774 0.0654 ( 4341 PWs) bands (ev): -71.8567 -71.8567 -71.8448 -71.8448 -40.7083 -40.7083 -40.6752 -40.6752 -36.2763 -36.2763 -36.2495 -36.2495 -36.2320 -36.2320 -36.1678 -36.1678 1.0468 1.0468 1.0640 1.0640 6.3697 6.3697 7.1186 7.1186 7.2687 7.2687 8.3459 8.3459 8.4335 8.4335 8.9749 8.9749 9.6748 9.6748 9.7784 9.7784 10.0419 10.0419 10.4861 10.4861 10.5916 10.5916 10.6281 10.6281 11.4311 11.4311 11.5739 11.5739 12.5804 12.5804 12.6398 12.6398 15.9568 15.9568 18.7616 18.7616 19.9996 19.9996 k = 0.3333 0.5774 0.0784 ( 4341 PWs) bands (ev): -71.8566 -71.8566 -71.8449 -71.8449 -40.7080 -40.7080 -40.6755 -40.6755 -36.2754 -36.2754 -36.2494 -36.2494 -36.2322 -36.2322 -36.1688 -36.1688 1.0479 1.0479 1.0651 1.0651 6.3899 6.3899 7.1127 7.1127 7.2635 7.2635 8.3451 8.3451 8.4323 8.4323 8.9862 8.9862 9.6780 9.6780 9.7214 9.7214 10.0410 10.0410 10.4796 10.4796 10.5867 10.5867 10.6217 10.6217 11.3811 11.3811 11.5261 11.5261 12.6703 12.6703 12.7330 12.7330 16.0175 16.0175 18.7642 18.7642 19.9892 19.9892 k = 0.3333 0.5774 0.0915 ( 4356 PWs) bands (ev): -71.8565 -71.8565 -71.8451 -71.8451 -40.7077 -40.7077 -40.6759 -40.6759 -36.2743 -36.2743 -36.2492 -36.2492 -36.2324 -36.2324 -36.1699 -36.1699 1.0491 1.0491 1.0663 1.0663 6.4138 6.4138 7.1058 7.1058 7.2574 7.2574 8.3443 8.3443 8.4311 8.4311 8.9995 8.9995 9.6574 9.6574 9.6815 9.6815 10.0393 10.0393 10.4727 10.4727 10.5790 10.5790 10.6144 10.6144 11.3309 11.3309 11.4788 11.4788 12.7671 12.7671 12.8330 12.8330 16.0880 16.0880 18.7671 18.7671 19.9736 19.9736 k = 0.3333 0.5774 0.1046 ( 4362 PWs) bands (ev): -71.8563 -71.8563 -71.8452 -71.8452 -40.7072 -40.7072 -40.6762 -40.6762 -36.2730 -36.2730 -36.2490 -36.2490 -36.2326 -36.2326 -36.1712 -36.1712 1.0504 1.0504 1.0676 1.0676 6.4412 6.4412 7.0981 7.0981 7.2506 7.2506 8.3436 8.3436 8.4298 8.4298 9.0147 9.0147 9.5874 9.5874 9.6852 9.6852 10.0364 10.0364 10.4656 10.4656 10.5687 10.5687 10.6062 10.6062 11.2816 11.2816 11.4329 11.4329 12.8696 12.8696 12.9387 12.9387 16.1676 16.1676 18.7702 18.7702 19.9510 19.9510 k = 0.3333 0.5774 0.1177 ( 4350 PWs) bands (ev): -71.8562 -71.8562 -71.8454 -71.8454 -40.7068 -40.7068 -40.6767 -40.6767 -36.2716 -36.2716 -36.2487 -36.2487 -36.2328 -36.2328 -36.1727 -36.1727 1.0519 1.0519 1.0691 1.0691 6.4722 6.4722 7.0896 7.0896 7.2431 7.2431 8.3432 8.3432 8.4287 8.4287 9.0318 9.0318 9.5123 9.5123 9.6890 9.6890 10.0322 10.0322 10.4585 10.4585 10.5560 10.5560 10.5975 10.5975 11.2340 11.2340 11.3890 11.3890 12.9767 12.9767 13.0493 13.0493 16.2558 16.2558 18.7734 18.7734 19.9191 19.9191 k = 0.3333 0.5774 0.1307 ( 4362 PWs) bands (ev): -71.8560 -71.8560 -71.8455 -71.8455 -40.7063 -40.7063 -40.6772 -40.6772 -36.2700 -36.2700 -36.2485 -36.2485 -36.2331 -36.2331 -36.1744 -36.1744 1.0535 1.0535 1.0708 1.0708 6.5066 6.5066 7.0804 7.0804 7.2350 7.2350 8.3429 8.3429 8.4276 8.4276 9.0505 9.0505 9.4334 9.4334 9.6927 9.6927 10.0262 10.0262 10.4511 10.4511 10.5411 10.5411 10.5880 10.5880 11.1883 11.1883 11.3471 11.3471 13.0877 13.0877 13.1639 13.1639 16.3519 16.3519 18.7767 18.7767 19.8754 19.8754 k = 0.3333 0.5774 0.1438 ( 4374 PWs) bands (ev): -71.8558 -71.8558 -71.8458 -71.8458 -40.7057 -40.7057 -40.6777 -40.6777 -36.2683 -36.2683 -36.2482 -36.2482 -36.2334 -36.2334 -36.1762 -36.1762 1.0552 1.0552 1.0725 1.0725 6.5445 6.5445 7.0707 7.0707 7.2263 7.2263 8.3429 8.3429 8.4267 8.4267 9.0702 9.0702 9.3519 9.3519 9.6963 9.6963 10.0186 10.0186 10.4428 10.4428 10.5252 10.5252 10.5783 10.5783 11.1449 11.1449 11.3072 11.3072 13.2018 13.2018 13.2820 13.2820 16.4552 16.4552 18.7798 18.7798 19.8177 19.8177 k = 0.3333 0.5774 0.1569 ( 4374 PWs) bands (ev): -71.8556 -71.8556 -71.8460 -71.8460 -40.7051 -40.7051 -40.6783 -40.6783 -36.2664 -36.2664 -36.2479 -36.2479 -36.2337 -36.2337 -36.1781 -36.1781 1.0570 1.0570 1.0742 1.0742 6.5856 6.5856 7.0604 7.0604 7.2173 7.2173 8.3432 8.3432 8.4259 8.4259 9.0886 9.0886 9.2706 9.2706 9.6998 9.6998 10.0092 10.0092 10.4322 10.4322 10.5104 10.5104 10.5685 10.5685 11.1040 11.1040 11.2695 11.2695 13.3185 13.3185 13.4031 13.4031 16.5648 16.5648 18.7826 18.7826 19.7446 19.7446 k = 0.3333 0.5774 0.1699 ( 4380 PWs) bands (ev): -71.8554 -71.8554 -71.8462 -71.8462 -40.7045 -40.7045 -40.6789 -40.6789 -36.2644 -36.2644 -36.2476 -36.2476 -36.2340 -36.2340 -36.1802 -36.1802 1.0588 1.0588 1.0761 1.0761 6.6300 6.6300 7.0499 7.0499 7.2080 7.2080 8.3438 8.3438 8.4252 8.4252 9.0947 9.0947 9.2011 9.2011 9.7028 9.7028 9.9980 9.9980 10.4166 10.4166 10.4992 10.4992 10.5589 10.5589 11.0656 11.0656 11.2338 11.2338 13.4372 13.4372 13.5265 13.5265 16.6801 16.6801 18.7848 18.7848 19.6561 19.6561 k = 0.3333 0.5774 0.1830 ( 4380 PWs) bands (ev): -71.8552 -71.8552 -71.8464 -71.8464 -40.7038 -40.7038 -40.6795 -40.6795 -36.2623 -36.2623 -36.2472 -36.2472 -36.2344 -36.2344 -36.1824 -36.1824 1.0606 1.0606 1.0779 1.0779 6.6775 6.6775 7.0392 7.0392 7.1986 7.1986 8.3447 8.3447 8.4244 8.4244 9.0514 9.0514 9.1813 9.1813 9.7055 9.7055 9.9852 9.9852 10.3949 10.3949 10.4934 10.4934 10.5495 10.5495 11.0297 11.0297 11.2001 11.2001 13.5572 13.5572 13.6518 13.6518 16.8002 16.8002 18.7862 18.7862 19.5533 19.5533 k = 0.3333 0.5774 0.1961 ( 4380 PWs) bands (ev): -71.8549 -71.8549 -71.8467 -71.8467 -40.7031 -40.7031 -40.6802 -40.6802 -36.2600 -36.2600 -36.2468 -36.2468 -36.2347 -36.2347 -36.1847 -36.1847 1.0624 1.0624 1.0798 1.0798 6.7280 6.7280 7.0284 7.0284 7.1895 7.1895 8.3459 8.3459 8.4234 8.4234 8.9712 8.9712 9.1993 9.1993 9.7076 9.7076 9.9710 9.9710 10.3676 10.3676 10.4926 10.4926 10.5407 10.5407 10.9962 10.9962 11.1682 11.1682 13.6779 13.6779 13.7782 13.7782 16.9243 16.9243 18.7863 18.7863 19.4389 19.4389 k = 0.3333 0.5774 0.2092 ( 4380 PWs) bands (ev): -71.8546 -71.8546 -71.8469 -71.8469 -40.7024 -40.7024 -40.6809 -40.6809 -36.2576 -36.2576 -36.2465 -36.2465 -36.2351 -36.2351 -36.1872 -36.1872 1.0642 1.0642 1.0816 1.0816 6.7811 6.7811 7.0176 7.0176 7.1807 7.1807 8.3475 8.3475 8.4217 8.4217 8.8829 8.8829 9.2268 9.2268 9.7093 9.7093 9.9557 9.9557 10.3360 10.3360 10.4955 10.4955 10.5325 10.5325 10.9652 10.9652 11.1380 11.1380 13.7984 13.7984 13.9051 13.9051 17.0514 17.0514 18.7847 18.7847 19.3160 19.3160 k = 0.3333 0.5774 0.2222 ( 4365 PWs) bands (ev): -71.8544 -71.8544 -71.8472 -71.8472 -40.7016 -40.7016 -40.6817 -40.6817 -36.2551 -36.2551 -36.2460 -36.2460 -36.2355 -36.2355 -36.1898 -36.1898 1.0660 1.0660 1.0834 1.0834 6.8366 6.8366 7.0072 7.0072 7.1729 7.1729 8.3493 8.3493 8.4186 8.4186 8.7936 8.7936 9.2582 9.2582 9.7104 9.7104 9.9398 9.9398 10.3015 10.3015 10.5010 10.5010 10.5253 10.5253 10.9365 10.9365 11.1096 11.1096 13.9181 13.9181 14.0316 14.0316 17.1805 17.1805 18.7803 18.7803 19.1878 19.1878 k = 0.3333 0.5774 0.2353 ( 4365 PWs) bands (ev): -71.8541 -71.8541 -71.8475 -71.8475 -40.7008 -40.7008 -40.6825 -40.6825 -36.2525 -36.2525 -36.2456 -36.2456 -36.2359 -36.2359 -36.1924 -36.1924 1.0677 1.0677 1.0851 1.0851 6.8937 6.8937 6.9970 6.9970 7.1665 7.1665 8.3512 8.3512 8.4121 8.4121 8.7066 8.7066 9.2919 9.2919 9.7110 9.7110 9.9232 9.9232 10.2645 10.2645 10.5085 10.5085 10.5190 10.5190 10.9101 10.9101 11.0828 11.0828 14.0358 14.0358 14.1568 14.1568 17.3105 17.3105 18.7710 18.7710 19.0573 19.0573 k = 0.3333 0.5774 0.2484 ( 4365 PWs) bands (ev): -71.8538 -71.8538 -71.8478 -71.8478 -40.6999 -40.6999 -40.6833 -40.6833 -36.2498 -36.2498 -36.2452 -36.2452 -36.2364 -36.2364 -36.1952 -36.1952 1.0693 1.0693 1.0867 1.0867 6.9511 6.9511 6.9874 6.9874 7.1630 7.1630 8.3533 8.3533 8.3987 8.3987 8.6264 8.6264 9.3271 9.3271 9.7111 9.7111 9.9065 9.9065 10.2264 10.2264 10.5136 10.5136 10.5172 10.5172 10.8860 10.8860 11.0577 11.0577 14.1505 14.1505 14.2795 14.2795 17.4403 17.4403 18.7507 18.7507 18.9275 18.9275 k = 0.3333 0.5774 0.2614 ( 4371 PWs) bands (ev): -71.8535 -71.8535 -71.8481 -71.8481 -40.6991 -40.6991 -40.6841 -40.6841 -36.2470 -36.2470 -36.2447 -36.2447 -36.2368 -36.2368 -36.1980 -36.1980 1.0709 1.0709 1.0883 1.0883 6.9784 6.9784 7.0056 7.0056 7.1655 7.1655 8.3555 8.3555 8.3703 8.3703 8.5615 8.5615 9.3638 9.3638 9.7107 9.7107 9.8898 9.8898 10.1873 10.1873 10.5093 10.5093 10.5269 10.5269 10.8640 10.8640 11.0342 11.0342 14.2608 14.2608 14.3984 14.3984 17.5684 17.5684 18.6989 18.6989 18.8009 18.8009 k = 0.3333 0.5774 0.2745 ( 4371 PWs) bands (ev): -71.8531 -71.8531 -71.8484 -71.8484 -40.6982 -40.6982 -40.6850 -40.6850 -36.2443 -36.2443 -36.2442 -36.2442 -36.2373 -36.2373 -36.2009 -36.2009 1.0722 1.0722 1.0897 1.0897 6.9701 6.9701 7.0496 7.0496 7.1816 7.1816 8.3187 8.3187 8.3576 8.3576 8.5205 8.5205 9.4016 9.4016 9.7101 9.7101 9.8731 9.8731 10.1481 10.1481 10.5060 10.5060 10.5370 10.5370 10.8443 10.8443 11.0126 11.0126 14.3652 14.3652 14.5119 14.5119 17.6933 17.6933 18.6006 18.6006 18.6803 18.6803 k = 0.3333 0.5774 0.2876 ( 4374 PWs) bands (ev): -71.8528 -71.8528 -71.8487 -71.8487 -40.6973 -40.6973 -40.6859 -40.6859 -36.2438 -36.2438 -36.2412 -36.2412 -36.2378 -36.2378 -36.2039 -36.2039 1.0735 1.0735 1.0909 1.0909 6.9627 6.9627 7.0743 7.0743 7.2197 7.2197 8.2477 8.2477 8.3596 8.3596 8.5001 8.5001 9.4399 9.4399 9.7091 9.7091 9.8565 9.8565 10.1098 10.1098 10.5036 10.5036 10.5470 10.5470 10.8269 10.8269 10.9930 10.9930 14.4620 14.4620 14.6180 14.6180 17.8129 17.8129 18.4868 18.4868 18.5682 18.5682 k = 0.3333 0.5774 0.3007 ( 4368 PWs) bands (ev): -71.8525 -71.8525 -71.8491 -71.8491 -40.6963 -40.6963 -40.6868 -40.6868 -36.2433 -36.2433 -36.2383 -36.2383 -36.2382 -36.2382 -36.2070 -36.2070 1.0746 1.0746 1.0920 1.0920 6.9563 6.9563 7.0833 7.0833 7.2758 7.2758 8.1675 8.1675 8.3615 8.3615 8.4907 8.4907 9.4784 9.4784 9.7081 9.7081 9.8399 9.8399 10.0733 10.0733 10.5021 10.5021 10.5567 10.5567 10.8120 10.8120 10.9756 10.9756 14.5493 14.5493 14.7145 14.7145 17.9249 17.9249 18.3790 18.3790 18.4671 18.4671 k = 0.3333 0.5774 0.3137 ( 4368 PWs) bands (ev): -71.8522 -71.8522 -71.8494 -71.8494 -40.6954 -40.6954 -40.6877 -40.6877 -36.2428 -36.2428 -36.2388 -36.2388 -36.2352 -36.2352 -36.2101 -36.2101 1.0755 1.0755 1.0929 1.0929 6.9509 6.9509 7.0854 7.0854 7.3405 7.3405 8.0851 8.0851 8.3631 8.3631 8.4863 8.4863 9.5164 9.5164 9.7071 9.7071 9.8228 9.8228 10.0399 10.0399 10.5012 10.5012 10.5656 10.5656 10.7994 10.7994 10.9606 10.9606 14.6249 14.6249 14.7988 14.7988 18.0248 18.0248 18.2867 18.2867 18.3797 18.3797 k = 0.3333 0.5774 0.3268 ( 4359 PWs) bands (ev): -71.8518 -71.8518 -71.8498 -71.8498 -40.6944 -40.6944 -40.6887 -40.6887 -36.2423 -36.2423 -36.2393 -36.2393 -36.2321 -36.2321 -36.2132 -36.2132 1.0762 1.0762 1.0936 1.0936 6.9466 6.9466 7.0851 7.0851 7.4076 7.4076 8.0048 8.0048 8.3645 8.3645 8.4842 8.4842 9.5526 9.5526 9.7063 9.7063 9.8050 9.8050 10.0115 10.0115 10.5008 10.5008 10.5731 10.5731 10.7895 10.7895 10.9485 10.9485 14.6867 14.6867 14.8684 14.8684 18.0987 18.0987 18.2252 18.2252 18.3084 18.3084 k = 0.3333 0.5774 0.3399 ( 4362 PWs) bands (ev): -71.8515 -71.8515 -71.8501 -71.8501 -40.6935 -40.6935 -40.6896 -40.6896 -36.2418 -36.2418 -36.2398 -36.2398 -36.2290 -36.2290 -36.2163 -36.2163 1.0767 1.0767 1.0941 1.0941 6.9435 6.9435 7.0841 7.0841 7.4717 7.4717 7.9313 7.9313 8.3655 8.3655 8.4833 8.4833 9.5849 9.5849 9.7056 9.7056 9.7872 9.7872 9.9899 9.9899 10.5005 10.5005 10.5788 10.5788 10.7823 10.7823 10.9394 10.9394 14.7326 14.7326 14.9206 14.9206 18.1048 18.1048 18.2352 18.2352 18.2555 18.2555 k = 0.3333 0.5774 0.3530 ( 4362 PWs) bands (ev): -71.8511 -71.8511 -71.8504 -71.8504 -40.6925 -40.6925 -40.6906 -40.6906 -36.2413 -36.2413 -36.2403 -36.2403 -36.2258 -36.2258 -36.2195 -36.2195 1.0770 1.0770 1.0945 1.0945 6.9417 6.9417 7.0834 7.0834 7.5236 7.5236 7.8737 7.8737 8.3661 8.3661 8.4828 8.4828 9.6092 9.6092 9.7051 9.7051 9.7721 9.7721 9.9762 9.9762 10.5005 10.5005 10.5825 10.5825 10.7779 10.7779 10.9339 10.9339 14.7609 14.7609 14.9529 14.9529 18.0800 18.0800 18.2229 18.2229 18.2751 18.2751 k = 0.3333 0.5774 0.3660 ( 4362 PWs) bands (ev): -71.8508 -71.8508 -71.8508 -71.8508 -40.6916 -40.6916 -40.6915 -40.6915 -36.2408 -36.2408 -36.2407 -36.2407 -36.2227 -36.2227 -36.2226 -36.2226 1.0771 1.0771 1.0946 1.0946 6.9410 6.9410 7.0831 7.0831 7.5454 7.5454 7.8501 7.8501 8.3663 8.3663 8.4827 8.4827 9.6189 9.6189 9.7049 9.7049 9.7657 9.7657 9.9716 9.9716 10.5005 10.5005 10.5837 10.5837 10.7764 10.7764 10.9320 10.9320 14.7704 14.7704 14.9638 14.9638 18.0696 18.0696 18.2119 18.2119 18.2921 18.2921 Writing output data file TePd.save init_run : 0.36s CPU 0.54s WALL ( 1 calls) electrons : 150.60s CPU 152.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 150.59s CPU 152.90s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 335 calls) cegterg : 138.07s CPU 139.91s WALL ( 477 calls) Called by sum_band: Called by *egterg: h_psi : 78.00s CPU 79.30s WALL ( 7571 calls) s_psi : 4.98s CPU 5.10s WALL ( 7571 calls) g_psi : 0.22s CPU 0.23s WALL ( 6759 calls) cdiaghg : 47.00s CPU 47.78s WALL ( 7094 calls) cegterg:over : 5.97s CPU 5.86s WALL ( 6759 calls) cegterg:upda : 5.00s CPU 5.13s WALL ( 6759 calls) cegterg:last : 3.20s CPU 3.17s WALL ( 1143 calls) cdiaghg:chol : 2.55s CPU 2.69s WALL ( 7094 calls) cdiaghg:inve : 1.67s CPU 1.75s WALL ( 7094 calls) cdiaghg:para : 2.85s CPU 2.96s WALL ( 14188 calls) Called by h_psi: h_psi:vloc : 66.40s CPU 67.58s WALL ( 7571 calls) h_psi:vnl : 11.32s CPU 11.47s WALL ( 7571 calls) add_vuspsi : 5.66s CPU 5.86s WALL ( 7571 calls) General routines calbec : 5.66s CPU 5.59s WALL ( 7571 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 60.27s CPU 61.51s WALL ( 751704 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.26s WALL ( 670 calls) Parallel routines fft_scatter : 22.55s CPU 23.13s WALL ( 751727 calls) PWSCF : 2m48.70s CPU 3m 5.80s WALL This run was terminated on: 21: 9:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=