Program PWSCF v.5.1.1 starts on 19Jul2015 at 22:31:17 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./YN.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 14 4 901 355 58 Max 28 15 5 904 372 65 Sum 1261 685 211 43311 17499 2907 bravais-lattice index = 14 lattice parameter (alat) = 7.5211 a.u. unit-cell volume = 445.2668 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.521109 celldm(2)= 1.000000 celldm(3)= 1.208492 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 1.208492 ) 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 0.827477 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /home/autes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 N 5.00 14.00670 N( 1.00) Y 11.00 88.90590 Y( 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 ) ( 0.6042462 ) 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 C2 2C3 -2C3 2C6 -2C6 3C2' 3C2'' i -i s_h -C2 -3C2' -3C2' -s_h G_7+ 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 2.00 -2.00 0.00 G_8+ 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 2.00 -2.00 0.00 G_9+ 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 -2.00 2.00 0.00 G_8- 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 -2.00 2.00 0.00 G_9- 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 -2.00 2.00 0.00 2S6 -2S6 2S3 -2S3 3s_v 3s_d -3s_v -3s_d G_7+ 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8+ 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9+ -2.00 2.00 0.00 0.00 0.00 0.00 G_7- -1.00 1.00 -1.73 1.73 0.00 0.00 G_8- -1.00 1.00 1.73 -1.73 0.00 0.00 G_9- 2.00 -2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 3C2'-3C2' 3 -3 9 10 -10 -9 3C2''-3C2' 4 -4 12 -11 11 -12 2C6 5 6 2C3 7 8 i 13 s_h -s_h 14 -14 3s_v-3s_v 15 -15 21 22 -22 -21 3s_d-3s_d 16 -16 24 -23 23 -24 2S3 17 18 2S6 19 20 -E -1 -2C6 -5 -6 -2C3 -7 -8 -i -13 -2S3 -17 -18 -2S6 -19 -20 Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0027778 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0027778 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0027778 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0027778 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0027778 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0027778 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0027778 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0027778 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0027778 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0027778 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0027778 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0027778 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0027778 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0027778 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0027778 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0027778 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0027778 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0027778 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0027778 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0027778 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0027778 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0027778 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0027778 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0027778 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0027778 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027778 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0027778 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0027778 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0027778 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0027778 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0027778 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0027778 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0027778 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0027778 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027778 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0027778 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0027778 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0027778 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0027778 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0027778 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0027778 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0027778 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0027778 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0027778 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0027778 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0027778 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0027778 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0027778 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0027778 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0027778 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0027778 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0027778 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0027778 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0027778 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0027778 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0027778 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0027778 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0027778 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0027778 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0027778 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0027778 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0027778 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0027778 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0000000 0.0125375), wk = 0.0027778 k( 132) = ( 0.0000000 0.0000000 0.0250751), wk = 0.0027778 k( 133) = ( 0.0000000 0.0000000 0.0376126), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0501501), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0626877), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0752252), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0877627), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.1003003), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.1128378), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.1253753), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1379129), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1504504), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1629879), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1755255), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1880630), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2006005), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2131381), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2256756), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.2382131), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.2507507), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.2632882), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.2758257), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.2883633), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.3009008), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.3134383), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.3259759), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.3385134), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.3510509), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.3635885), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.3761260), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.3886635), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.4012011), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.4137386), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.4137386), wk = 0.0027778 k( 165) = ( 0.0108696 0.0062755 0.4137386), wk = 0.0027778 k( 166) = ( 0.0217391 0.0125511 0.4137386), wk = 0.0027778 k( 167) = ( 0.0326087 0.0188266 0.4137386), wk = 0.0027778 k( 168) = ( 0.0434783 0.0251022 0.4137386), wk = 0.0027778 k( 169) = ( 0.0543478 0.0313777 0.4137386), wk = 0.0027778 k( 170) = ( 0.0652174 0.0376533 0.4137386), wk = 0.0027778 k( 171) = ( 0.0760870 0.0439288 0.4137386), wk = 0.0027778 k( 172) = ( 0.0869565 0.0502044 0.4137386), wk = 0.0027778 k( 173) = ( 0.0978261 0.0564799 0.4137386), wk = 0.0027778 k( 174) = ( 0.1086957 0.0627555 0.4137386), wk = 0.0027778 k( 175) = ( 0.1195652 0.0690310 0.4137386), wk = 0.0027778 k( 176) = ( 0.1304348 0.0753066 0.4137386), wk = 0.0027778 k( 177) = ( 0.1413043 0.0815821 0.4137386), wk = 0.0027778 k( 178) = ( 0.1521739 0.0878576 0.4137386), wk = 0.0027778 k( 179) = ( 0.1630435 0.0941332 0.4137386), wk = 0.0027778 k( 180) = ( 0.1739130 0.1004087 0.4137386), wk = 0.0027778 k( 181) = ( 0.1847826 0.1066843 0.4137386), wk = 0.0027778 k( 182) = ( 0.1956522 0.1129598 0.4137386), wk = 0.0027778 k( 183) = ( 0.2065217 0.1192354 0.4137386), wk = 0.0027778 k( 184) = ( 0.2173913 0.1255109 0.4137386), wk = 0.0027778 k( 185) = ( 0.2282609 0.1317865 0.4137386), wk = 0.0027778 k( 186) = ( 0.2391304 0.1380620 0.4137386), wk = 0.0027778 k( 187) = ( 0.2500000 0.1443376 0.4137386), wk = 0.0027778 k( 188) = ( 0.2608696 0.1506131 0.4137386), wk = 0.0027778 k( 189) = ( 0.2717391 0.1568887 0.4137386), wk = 0.0027778 k( 190) = ( 0.2826087 0.1631642 0.4137386), wk = 0.0027778 k( 191) = ( 0.2934783 0.1694398 0.4137386), wk = 0.0027778 k( 192) = ( 0.3043478 0.1757153 0.4137386), wk = 0.0027778 k( 193) = ( 0.3152174 0.1819908 0.4137386), wk = 0.0027778 k( 194) = ( 0.3260870 0.1882664 0.4137386), wk = 0.0027778 k( 195) = ( 0.3369565 0.1945419 0.4137386), wk = 0.0027778 k( 196) = ( 0.3478261 0.2008175 0.4137386), wk = 0.0027778 k( 197) = ( 0.3586956 0.2070930 0.4137386), wk = 0.0027778 k( 198) = ( 0.3695652 0.2133686 0.4137386), wk = 0.0027778 k( 199) = ( 0.3804348 0.2196441 0.4137386), wk = 0.0027778 k( 200) = ( 0.3913044 0.2259197 0.4137386), wk = 0.0027778 k( 201) = ( 0.4021739 0.2321952 0.4137386), wk = 0.0027778 k( 202) = ( 0.4130435 0.2384708 0.4137386), wk = 0.0027778 k( 203) = ( 0.4239130 0.2447463 0.4137386), wk = 0.0027778 k( 204) = ( 0.4347826 0.2510219 0.4137386), wk = 0.0027778 k( 205) = ( 0.4456522 0.2572974 0.4137386), wk = 0.0027778 k( 206) = ( 0.4565217 0.2635729 0.4137386), wk = 0.0027778 k( 207) = ( 0.4673913 0.2698485 0.4137386), wk = 0.0027778 k( 208) = ( 0.4782609 0.2761240 0.4137386), wk = 0.0027778 k( 209) = ( 0.4891304 0.2823996 0.4137386), wk = 0.0027778 k( 210) = ( 0.5000000 0.2886751 0.4137386), wk = 0.0027778 k( 211) = ( 0.5000000 0.2886751 0.4137386), wk = 0.0027778 k( 212) = ( 0.4938272 0.2993668 0.4137386), wk = 0.0027778 k( 213) = ( 0.4876543 0.3100585 0.4137386), wk = 0.0027778 k( 214) = ( 0.4814815 0.3207502 0.4137386), wk = 0.0027778 k( 215) = ( 0.4753086 0.3314418 0.4137386), wk = 0.0027778 k( 216) = ( 0.4691358 0.3421335 0.4137386), wk = 0.0027778 k( 217) = ( 0.4629630 0.3528252 0.4137386), wk = 0.0027778 k( 218) = ( 0.4567901 0.3635168 0.4137386), wk = 0.0027778 k( 219) = ( 0.4506173 0.3742085 0.4137386), wk = 0.0027778 k( 220) = ( 0.4444444 0.3849002 0.4137386), wk = 0.0027778 k( 221) = ( 0.4382716 0.3955918 0.4137386), wk = 0.0027778 k( 222) = ( 0.4320988 0.4062835 0.4137386), wk = 0.0027778 k( 223) = ( 0.4259259 0.4169752 0.4137386), wk = 0.0027778 k( 224) = ( 0.4197531 0.4276669 0.4137386), wk = 0.0027778 k( 225) = ( 0.4135802 0.4383585 0.4137386), wk = 0.0027778 k( 226) = ( 0.4074074 0.4490502 0.4137386), wk = 0.0027778 k( 227) = ( 0.4012346 0.4597419 0.4137386), wk = 0.0027778 k( 228) = ( 0.3950617 0.4704335 0.4137386), wk = 0.0027778 k( 229) = ( 0.3888889 0.4811252 0.4137386), wk = 0.0027778 k( 230) = ( 0.3827160 0.4918169 0.4137386), wk = 0.0027778 k( 231) = ( 0.3765432 0.5025086 0.4137386), wk = 0.0027778 k( 232) = ( 0.3703704 0.5132002 0.4137386), wk = 0.0027778 k( 233) = ( 0.3641975 0.5238919 0.4137386), wk = 0.0027778 k( 234) = ( 0.3580247 0.5345836 0.4137386), wk = 0.0027778 k( 235) = ( 0.3518519 0.5452753 0.4137386), wk = 0.0027778 k( 236) = ( 0.3456790 0.5559669 0.4137386), wk = 0.0027778 k( 237) = ( 0.3395062 0.5666586 0.4137386), wk = 0.0027778 k( 238) = ( 0.3333333 0.5773503 0.4137386), wk = 0.0027778 k( 239) = ( 0.3333333 0.5773503 0.4137386), wk = 0.0027778 k( 240) = ( 0.3270440 0.5664569 0.4137386), wk = 0.0027778 k( 241) = ( 0.3207547 0.5555635 0.4137386), wk = 0.0027778 k( 242) = ( 0.3144654 0.5446701 0.4137386), wk = 0.0027778 k( 243) = ( 0.3081761 0.5337767 0.4137386), wk = 0.0027778 k( 244) = ( 0.3018868 0.5228833 0.4137386), wk = 0.0027778 k( 245) = ( 0.2955975 0.5119899 0.4137386), wk = 0.0027778 k( 246) = ( 0.2893082 0.5010965 0.4137386), wk = 0.0027778 k( 247) = ( 0.2830189 0.4902031 0.4137386), wk = 0.0027778 k( 248) = ( 0.2767296 0.4793097 0.4137386), wk = 0.0027778 k( 249) = ( 0.2704402 0.4684163 0.4137386), wk = 0.0027778 k( 250) = ( 0.2641509 0.4575228 0.4137386), wk = 0.0027778 k( 251) = ( 0.2578616 0.4466295 0.4137386), wk = 0.0027778 k( 252) = ( 0.2515723 0.4357361 0.4137386), wk = 0.0027778 k( 253) = ( 0.2452830 0.4248427 0.4137386), wk = 0.0027778 k( 254) = ( 0.2389937 0.4139492 0.4137386), wk = 0.0027778 k( 255) = ( 0.2327044 0.4030558 0.4137386), wk = 0.0027778 k( 256) = ( 0.2264151 0.3921624 0.4137386), wk = 0.0027778 k( 257) = ( 0.2201258 0.3812691 0.4137386), wk = 0.0027778 k( 258) = ( 0.2138365 0.3703756 0.4137386), wk = 0.0027778 k( 259) = ( 0.2075472 0.3594822 0.4137386), wk = 0.0027778 k( 260) = ( 0.2012579 0.3485888 0.4137386), wk = 0.0027778 k( 261) = ( 0.1949685 0.3376954 0.4137386), wk = 0.0027778 k( 262) = ( 0.1886792 0.3268020 0.4137386), wk = 0.0027778 k( 263) = ( 0.1823899 0.3159086 0.4137386), wk = 0.0027778 k( 264) = ( 0.1761006 0.3050152 0.4137386), wk = 0.0027778 k( 265) = ( 0.1698113 0.2941218 0.4137386), wk = 0.0027778 k( 266) = ( 0.1635220 0.2832284 0.4137386), wk = 0.0027778 k( 267) = ( 0.1572327 0.2723350 0.4137386), wk = 0.0027778 k( 268) = ( 0.1509434 0.2614416 0.4137386), wk = 0.0027778 k( 269) = ( 0.1446541 0.2505482 0.4137386), wk = 0.0027778 k( 270) = ( 0.1383648 0.2396548 0.4137386), wk = 0.0027778 k( 271) = ( 0.1320755 0.2287614 0.4137386), wk = 0.0027778 k( 272) = ( 0.1257862 0.2178680 0.4137386), wk = 0.0027778 k( 273) = ( 0.1194969 0.2069746 0.4137386), wk = 0.0027778 k( 274) = ( 0.1132076 0.1960812 0.4137386), wk = 0.0027778 k( 275) = ( 0.1069182 0.1851878 0.4137386), wk = 0.0027778 k( 276) = ( 0.1006289 0.1742944 0.4137386), wk = 0.0027778 k( 277) = ( 0.0943396 0.1634010 0.4137386), wk = 0.0027778 k( 278) = ( 0.0880503 0.1525076 0.4137386), wk = 0.0027778 k( 279) = ( 0.0817610 0.1416142 0.4137386), wk = 0.0027778 k( 280) = ( 0.0754717 0.1307208 0.4137386), wk = 0.0027778 k( 281) = ( 0.0691824 0.1198274 0.4137386), wk = 0.0027778 k( 282) = ( 0.0628931 0.1089340 0.4137386), wk = 0.0027778 k( 283) = ( 0.0566038 0.0980406 0.4137386), wk = 0.0027778 k( 284) = ( 0.0503145 0.0871472 0.4137386), wk = 0.0027778 k( 285) = ( 0.0440252 0.0762538 0.4137386), wk = 0.0027778 k( 286) = ( 0.0377359 0.0653604 0.4137386), wk = 0.0027778 k( 287) = ( 0.0314465 0.0544670 0.4137386), wk = 0.0027778 k( 288) = ( 0.0251572 0.0435736 0.4137386), wk = 0.0027778 k( 289) = ( 0.0188679 0.0326802 0.4137386), wk = 0.0027778 k( 290) = ( 0.0125786 0.0217868 0.4137386), wk = 0.0027778 k( 291) = ( 0.0062893 0.0108934 0.4137386), wk = 0.0027778 k( 292) = ( 0.0000000 0.0000000 0.4137386), wk = 0.0027778 k( 293) = ( 0.5000000 0.2886751 0.4137386), wk = 0.0027778 k( 294) = ( 0.5000000 0.2886751 0.4012011), wk = 0.0027778 k( 295) = ( 0.5000000 0.2886751 0.3886635), wk = 0.0027778 k( 296) = ( 0.5000000 0.2886751 0.3761260), wk = 0.0027778 k( 297) = ( 0.5000000 0.2886751 0.3635885), wk = 0.0027778 k( 298) = ( 0.5000000 0.2886751 0.3510509), wk = 0.0027778 k( 299) = ( 0.5000000 0.2886751 0.3385134), wk = 0.0027778 k( 300) = ( 0.5000000 0.2886751 0.3259759), wk = 0.0027778 k( 301) = ( 0.5000000 0.2886751 0.3134383), wk = 0.0027778 k( 302) = ( 0.5000000 0.2886751 0.3009008), wk = 0.0027778 k( 303) = ( 0.5000000 0.2886751 0.2883633), wk = 0.0027778 k( 304) = ( 0.5000000 0.2886751 0.2758257), wk = 0.0027778 k( 305) = ( 0.5000000 0.2886751 0.2632882), wk = 0.0027778 k( 306) = ( 0.5000000 0.2886751 0.2507507), wk = 0.0027778 k( 307) = ( 0.5000000 0.2886751 0.2382131), wk = 0.0027778 k( 308) = ( 0.5000000 0.2886751 0.2256756), wk = 0.0027778 k( 309) = ( 0.5000000 0.2886751 0.2131381), wk = 0.0027778 k( 310) = ( 0.5000000 0.2886751 0.2006005), wk = 0.0027778 k( 311) = ( 0.5000000 0.2886751 0.1880630), wk = 0.0027778 k( 312) = ( 0.5000000 0.2886751 0.1755255), wk = 0.0027778 k( 313) = ( 0.5000000 0.2886751 0.1629879), wk = 0.0027778 k( 314) = ( 0.5000000 0.2886751 0.1504504), wk = 0.0027778 k( 315) = ( 0.5000000 0.2886751 0.1379129), wk = 0.0027778 k( 316) = ( 0.5000000 0.2886751 0.1253753), wk = 0.0027778 k( 317) = ( 0.5000000 0.2886751 0.1128378), wk = 0.0027778 k( 318) = ( 0.5000000 0.2886751 0.1003003), wk = 0.0027778 k( 319) = ( 0.5000000 0.2886751 0.0877627), wk = 0.0027778 k( 320) = ( 0.5000000 0.2886751 0.0752252), wk = 0.0027778 k( 321) = ( 0.5000000 0.2886751 0.0626877), wk = 0.0027778 k( 322) = ( 0.5000000 0.2886751 0.0501501), wk = 0.0027778 k( 323) = ( 0.5000000 0.2886751 0.0376126), wk = 0.0027778 k( 324) = ( 0.5000000 0.2886751 0.0250751), wk = 0.0027778 k( 325) = ( 0.5000000 0.2886751 0.0125375), wk = 0.0027778 k( 326) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027778 k( 327) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027778 k( 328) = ( 0.3333333 0.5773503 0.0125375), wk = 0.0027778 k( 329) = ( 0.3333333 0.5773503 0.0250751), wk = 0.0027778 k( 330) = ( 0.3333333 0.5773503 0.0376126), wk = 0.0027778 k( 331) = ( 0.3333333 0.5773503 0.0501501), wk = 0.0027778 k( 332) = ( 0.3333333 0.5773503 0.0626877), wk = 0.0027778 k( 333) = ( 0.3333333 0.5773503 0.0752252), wk = 0.0027778 k( 334) = ( 0.3333333 0.5773503 0.0877627), wk = 0.0027778 k( 335) = ( 0.3333333 0.5773503 0.1003003), wk = 0.0027778 k( 336) = ( 0.3333333 0.5773503 0.1128378), wk = 0.0027778 k( 337) = ( 0.3333333 0.5773503 0.1253753), wk = 0.0027778 k( 338) = ( 0.3333333 0.5773503 0.1379129), wk = 0.0027778 k( 339) = ( 0.3333333 0.5773503 0.1504504), wk = 0.0027778 k( 340) = ( 0.3333333 0.5773503 0.1629879), wk = 0.0027778 k( 341) = ( 0.3333333 0.5773503 0.1755255), wk = 0.0027778 k( 342) = ( 0.3333333 0.5773503 0.1880630), wk = 0.0027778 k( 343) = ( 0.3333333 0.5773503 0.2006005), wk = 0.0027778 k( 344) = ( 0.3333333 0.5773503 0.2131381), wk = 0.0027778 k( 345) = ( 0.3333333 0.5773503 0.2256756), wk = 0.0027778 k( 346) = ( 0.3333333 0.5773503 0.2382131), wk = 0.0027778 k( 347) = ( 0.3333333 0.5773503 0.2507507), wk = 0.0027778 k( 348) = ( 0.3333333 0.5773503 0.2632882), wk = 0.0027778 k( 349) = ( 0.3333333 0.5773503 0.2758257), wk = 0.0027778 k( 350) = ( 0.3333333 0.5773503 0.2883633), wk = 0.0027778 k( 351) = ( 0.3333333 0.5773503 0.3009008), wk = 0.0027778 k( 352) = ( 0.3333333 0.5773503 0.3134383), wk = 0.0027778 k( 353) = ( 0.3333333 0.5773503 0.3259759), wk = 0.0027778 k( 354) = ( 0.3333333 0.5773503 0.3385134), wk = 0.0027778 k( 355) = ( 0.3333333 0.5773503 0.3510509), wk = 0.0027778 k( 356) = ( 0.3333333 0.5773503 0.3635885), wk = 0.0027778 k( 357) = ( 0.3333333 0.5773503 0.3761260), wk = 0.0027778 k( 358) = ( 0.3333333 0.5773503 0.3886635), wk = 0.0027778 k( 359) = ( 0.3333333 0.5773503 0.4012011), wk = 0.0027778 k( 360) = ( 0.3333333 0.5773503 0.4137386), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0108696 0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0326087 0.0000000 0.0000000), wk = 0.0027778 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0543478 0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0027778 k( 8) = ( 0.0760870 -0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.0978261 -0.0000000 0.0000000), wk = 0.0027778 k( 11) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0027778 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0027778 k( 14) = ( 0.1413043 0.0000000 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1521739 -0.0000000 0.0000000), wk = 0.0027778 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0027778 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.2608696 0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0027778 k( 27) = ( 0.2826087 0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.2934783 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3043478 0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0027778 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0027778 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0027778 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.3586956 -0.0000000 0.0000000), wk = 0.0027778 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.3804348 -0.0000000 0.0000000), wk = 0.0027778 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4239130 -0.0000000 0.0000000), wk = 0.0027778 k( 41) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0027778 k( 44) = ( 0.4673913 -0.0000000 0.0000000), wk = 0.0027778 k( 45) = ( 0.4782609 0.0000000 -0.0000000), wk = 0.0027778 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 49) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0027778 k( 50) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0027778 k( 51) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0027778 k( 52) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0027778 k( 53) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0027778 k( 54) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0027778 k( 55) = ( 0.4567901 0.0864197 -0.0000000), wk = 0.0027778 k( 56) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0027778 k( 57) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0027778 k( 58) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0027778 k( 59) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0027778 k( 60) = ( 0.4259259 0.1481481 0.0000000), wk = 0.0027778 k( 61) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0027778 k( 62) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0027778 k( 63) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0027778 k( 64) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0027778 k( 65) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0027778 k( 66) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0027778 k( 67) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0027778 k( 68) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0027778 k( 69) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0027778 k( 70) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0027778 k( 71) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0027778 k( 72) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0027778 k( 73) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0027778 k( 74) = ( 0.3395062 0.3209876 0.0000000), wk = 0.0027778 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 77) = ( 0.3270440 0.3270440 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3144654 0.3144654 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0027778 k( 82) = ( 0.2955975 0.2955975 -0.0000000), wk = 0.0027778 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0027778 k( 84) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0027778 k( 85) = ( 0.2767296 0.2767296 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2704402 0.2704403 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0027778 k( 88) = ( 0.2578616 0.2578616 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2515723 0.2515723 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0027778 k( 91) = ( 0.2389937 0.2389937 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2327044 0.2327044 0.0000000), wk = 0.0027778 k( 93) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0027778 k( 94) = ( 0.2201258 0.2201258 -0.0000000), wk = 0.0027778 k( 95) = ( 0.2138365 0.2138365 -0.0000000), wk = 0.0027778 k( 96) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0027778 k( 97) = ( 0.2012579 0.2012579 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1949685 0.1949685 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1823899 0.1823899 -0.0000000), wk = 0.0027778 k( 101) = ( 0.1761006 0.1761006 0.0000000), wk = 0.0027778 k( 102) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0027778 k( 103) = ( 0.1635220 0.1635220 -0.0000000), wk = 0.0027778 k( 104) = ( 0.1572327 0.1572327 -0.0000000), wk = 0.0027778 k( 105) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0027778 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0027778 k( 107) = ( 0.1383648 0.1383648 -0.0000000), wk = 0.0027778 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0027778 k( 109) = ( 0.1257862 0.1257862 0.0000000), wk = 0.0027778 k( 110) = ( 0.1194969 0.1194969 -0.0000000), wk = 0.0027778 k( 111) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0027778 k( 112) = ( 0.1069182 0.1069182 -0.0000000), wk = 0.0027778 k( 113) = ( 0.1006289 0.1006289 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0027778 k( 115) = ( 0.0880503 0.0880503 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0027778 k( 117) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0691824 0.0691824 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0628931 0.0628931 0.0000000), wk = 0.0027778 k( 120) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0027778 k( 121) = ( 0.0503145 0.0503145 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0440252 0.0440252 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0314465 0.0314465 0.0000000), wk = 0.0027778 k( 125) = ( 0.0251572 0.0251572 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0125786 0.0125786 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0062893 0.0062893 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0027778 k( 132) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0027778 k( 133) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027778 k( 134) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0027778 k( 135) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027778 k( 161) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0027778 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0027778 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 165) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0027778 k( 166) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0027778 k( 167) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0027778 k( 168) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0027778 k( 169) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0027778 k( 170) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0027778 k( 171) = ( 0.0760870 -0.0000000 0.5000000), wk = 0.0027778 k( 172) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0027778 k( 173) = ( 0.0978261 -0.0000000 0.5000000), wk = 0.0027778 k( 174) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0027778 k( 175) = ( 0.1195652 -0.0000000 0.5000000), wk = 0.0027778 k( 176) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0027778 k( 177) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0027778 k( 178) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0027778 k( 179) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0027778 k( 180) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0027778 k( 181) = ( 0.1847826 -0.0000000 0.5000000), wk = 0.0027778 k( 182) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0027778 k( 183) = ( 0.2065217 -0.0000000 0.5000000), wk = 0.0027778 k( 184) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0027778 k( 185) = ( 0.2282609 -0.0000000 0.5000000), wk = 0.0027778 k( 186) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0027778 k( 187) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027778 k( 188) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0027778 k( 189) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0027778 k( 190) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0027778 k( 191) = ( 0.2934783 -0.0000000 0.5000000), wk = 0.0027778 k( 192) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0027778 k( 193) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0027778 k( 194) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0027778 k( 195) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0027778 k( 196) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0027778 k( 197) = ( 0.3586956 -0.0000000 0.5000000), wk = 0.0027778 k( 198) = ( 0.3695652 -0.0000000 0.5000000), wk = 0.0027778 k( 199) = ( 0.3804348 -0.0000000 0.5000000), wk = 0.0027778 k( 200) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0027778 k( 201) = ( 0.4021739 -0.0000000 0.5000000), wk = 0.0027778 k( 202) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0027778 k( 203) = ( 0.4239130 -0.0000000 0.5000000), wk = 0.0027778 k( 204) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0027778 k( 205) = ( 0.4456522 -0.0000000 0.5000000), wk = 0.0027778 k( 206) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0027778 k( 207) = ( 0.4673913 -0.0000000 0.5000000), wk = 0.0027778 k( 208) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0027778 k( 209) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0027778 k( 210) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 211) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 212) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0027778 k( 213) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0027778 k( 214) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0027778 k( 215) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0027778 k( 216) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0027778 k( 217) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0027778 k( 218) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0027778 k( 219) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0027778 k( 220) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027778 k( 221) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0027778 k( 222) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0027778 k( 223) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0027778 k( 224) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0027778 k( 225) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0027778 k( 226) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0027778 k( 227) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0027778 k( 228) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0027778 k( 229) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027778 k( 230) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0027778 k( 231) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0027778 k( 232) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0027778 k( 233) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0027778 k( 234) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0027778 k( 235) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0027778 k( 236) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0027778 k( 237) = ( 0.3395062 0.3209876 0.5000000), wk = 0.0027778 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 k( 240) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0027778 k( 241) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0027778 k( 242) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0027778 k( 243) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0027778 k( 244) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0027778 k( 245) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0027778 k( 246) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0027778 k( 247) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0027778 k( 248) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0027778 k( 249) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0027778 k( 250) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0027778 k( 251) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0027778 k( 252) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0027778 k( 253) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0027778 k( 254) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0027778 k( 255) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0027778 k( 256) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0027778 k( 257) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0027778 k( 258) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0027778 k( 259) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0027778 k( 260) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0027778 k( 261) = ( 0.1949685 0.1949685 0.5000000), wk = 0.0027778 k( 262) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0027778 k( 263) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0027778 k( 264) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0027778 k( 265) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0027778 k( 266) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0027778 k( 267) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0027778 k( 268) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0027778 k( 269) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0027778 k( 270) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0027778 k( 271) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0027778 k( 272) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0027778 k( 273) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0027778 k( 274) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0027778 k( 275) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0027778 k( 276) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0027778 k( 277) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0027778 k( 278) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0027778 k( 279) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0027778 k( 280) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0027778 k( 281) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0027778 k( 282) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0027778 k( 283) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0027778 k( 284) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0027778 k( 285) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0027778 k( 286) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0027778 k( 287) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0027778 k( 288) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0027778 k( 289) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0027778 k( 290) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0027778 k( 291) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0027778 k( 292) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 293) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 294) = ( 0.5000000 -0.0000000 0.4848485), wk = 0.0027778 k( 295) = ( 0.5000000 -0.0000000 0.4696970), wk = 0.0027778 k( 296) = ( 0.5000000 -0.0000000 0.4545454), wk = 0.0027778 k( 297) = ( 0.5000000 -0.0000000 0.4393939), wk = 0.0027778 k( 298) = ( 0.5000000 -0.0000000 0.4242424), wk = 0.0027778 k( 299) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0027778 k( 300) = ( 0.5000000 -0.0000000 0.3939394), wk = 0.0027778 k( 301) = ( 0.5000000 -0.0000000 0.3787879), wk = 0.0027778 k( 302) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0027778 k( 303) = ( 0.5000000 -0.0000000 0.3484848), wk = 0.0027778 k( 304) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0027778 k( 305) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0027778 k( 306) = ( 0.5000000 -0.0000000 0.3030303), wk = 0.0027778 k( 307) = ( 0.5000000 -0.0000000 0.2878788), wk = 0.0027778 k( 308) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0027778 k( 309) = ( 0.5000000 -0.0000000 0.2575758), wk = 0.0027778 k( 310) = ( 0.5000000 -0.0000000 0.2424242), wk = 0.0027778 k( 311) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0027778 k( 312) = ( 0.5000000 -0.0000000 0.2121212), wk = 0.0027778 k( 313) = ( 0.5000000 -0.0000000 0.1969697), wk = 0.0027778 k( 314) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0027778 k( 315) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0027778 k( 316) = ( 0.5000000 -0.0000000 0.1515151), wk = 0.0027778 k( 317) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0027778 k( 318) = ( 0.5000000 -0.0000000 0.1212121), wk = 0.0027778 k( 319) = ( 0.5000000 -0.0000000 0.1060606), wk = 0.0027778 k( 320) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0027778 k( 321) = ( 0.5000000 -0.0000000 0.0757576), wk = 0.0027778 k( 322) = ( 0.5000000 -0.0000000 0.0606061), wk = 0.0027778 k( 323) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0027778 k( 324) = ( 0.5000000 -0.0000000 0.0303030), wk = 0.0027778 k( 325) = ( 0.5000000 -0.0000000 0.0151515), wk = 0.0027778 k( 326) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 327) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027778 k( 328) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0027778 k( 329) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0027778 k( 330) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0027778 k( 331) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0027778 k( 332) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0027778 k( 333) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0027778 k( 334) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0027778 k( 335) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0027778 k( 336) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0027778 k( 337) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0027778 k( 338) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027778 k( 339) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0027778 k( 340) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0027778 k( 341) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0027778 k( 342) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0027778 k( 343) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0027778 k( 344) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0027778 k( 345) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0027778 k( 346) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0027778 k( 347) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0027778 k( 348) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0027778 k( 349) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027778 k( 350) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0027778 k( 351) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0027778 k( 352) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0027778 k( 353) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0027778 k( 354) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0027778 k( 355) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0027778 k( 356) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0027778 k( 357) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0027778 k( 358) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0027778 k( 359) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0027778 k( 360) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027778 Dense grid: 43311 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 17499 G-vectors FFT dimensions: ( 32, 32, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 104, 40) NL pseudopotentials 0.08 Mb ( 52, 96) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 903) G-vector shells 0.00 Mb ( 431) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 104, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./YN.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 40.9 secs Computing kpt #: 3 total cpu time spent up to now is 41.6 secs Computing kpt #: 4 total cpu time spent up to now is 42.2 secs Computing kpt #: 5 total cpu time spent up to now is 42.9 secs Computing kpt #: 6 total cpu time spent up to now is 43.6 secs Computing kpt #: 7 total cpu time spent up to now is 44.2 secs Computing kpt #: 8 total cpu time spent up to now is 44.9 secs Computing kpt #: 9 total cpu time spent up to now is 45.5 secs Computing kpt #: 10 total cpu time spent up to now is 46.2 secs Computing kpt #: 11 total cpu time spent up to now is 46.9 secs Computing kpt #: 12 total cpu time spent up to now is 47.6 secs Computing kpt #: 13 total cpu time spent up to now is 48.3 secs Computing kpt #: 14 total cpu time spent up to now is 48.9 secs Computing kpt #: 15 total cpu time spent up to now is 49.7 secs Computing kpt #: 16 total cpu time spent up to now is 50.4 secs Computing kpt #: 17 total cpu time spent up to now is 51.2 secs Computing kpt #: 18 total cpu time spent up to now is 51.9 secs Computing kpt #: 19 total cpu time spent up to now is 52.8 secs Computing kpt #: 20 total cpu time spent up to now is 53.7 secs Computing kpt #: 21 total cpu time spent up to now is 54.6 secs Computing kpt #: 22 total cpu time spent up to now is 55.3 secs Computing kpt #: 23 total cpu time spent up to now is 56.1 secs Computing kpt #: 24 total cpu time spent up to now is 56.9 secs Computing kpt #: 25 total cpu time spent up to now is 57.7 secs Computing kpt #: 26 total cpu time spent up to now is 58.7 secs Computing kpt #: 27 total cpu time spent up to now is 59.8 secs Computing kpt #: 28 total cpu time spent up to now is 61.1 secs Computing kpt #: 29 total cpu time spent up to now is 62.4 secs Computing kpt #: 30 total cpu time spent up to now is 64.1 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.0 secs Computing kpt #: 32 total cpu time spent up to now is 67.9 secs Computing kpt #: 33 total cpu time spent up to now is 69.2 secs Computing kpt #: 34 total cpu time spent up to now is 70.3 secs Computing kpt #: 35 total cpu time spent up to now is 71.3 secs Computing kpt #: 36 total cpu time spent up to now is 72.4 secs Computing kpt #: 37 total cpu time spent up to now is 73.4 secs Computing kpt #: 38 total cpu time spent up to now is 74.4 secs Computing kpt #: 39 total cpu time spent up to now is 75.5 secs Computing kpt #: 40 total cpu time spent up to now is 76.4 secs Computing kpt #: 41 total cpu time spent up to now is 77.2 secs Computing kpt #: 42 total cpu time spent up to now is 78.1 secs Computing kpt #: 43 total cpu time spent up to now is 78.9 secs Computing kpt #: 44 total cpu time spent up to now is 79.9 secs Computing kpt #: 45 total cpu time spent up to now is 80.7 secs Computing kpt #: 46 total cpu time spent up to now is 81.6 secs Computing kpt #: 47 total cpu time spent up to now is 82.6 secs Computing kpt #: 48 total cpu time spent up to now is 83.6 secs Computing kpt #: 49 total cpu time spent up to now is 84.6 secs Computing kpt #: 50 total cpu time spent up to now is 85.6 secs Computing kpt #: 51 total cpu time spent up to now is 86.7 secs Computing kpt #: 52 total cpu time spent up to now is 87.8 secs Computing kpt #: 53 total cpu time spent up to now is 89.2 secs Computing kpt #: 54 total cpu time spent up to now is 90.6 secs Computing kpt #: 55 total cpu time spent up to now is 91.7 secs Computing kpt #: 56 total cpu time spent up to now is 92.7 secs Computing kpt #: 57 total cpu time spent up to now is 93.7 secs Computing kpt #: 58 total cpu time spent up to now is 94.6 secs Computing kpt #: 59 total cpu time spent up to now is 95.6 secs Computing kpt #: 60 total cpu time spent up to now is 96.4 secs Computing kpt #: 61 total cpu time spent up to now is 97.3 secs Computing kpt #: 62 total cpu time spent up to now is 98.1 secs Computing kpt #: 63 total cpu time spent up to now is 98.8 secs Computing kpt #: 64 total cpu time spent up to now is 99.7 secs Computing kpt #: 65 total cpu time spent up to now is 100.5 secs Computing kpt #: 66 total cpu time spent up to now is 101.5 secs Computing kpt #: 67 total cpu time spent up to now is 102.2 secs Computing kpt #: 68 total cpu time spent up to now is 103.0 secs Computing kpt #: 69 total cpu time spent up to now is 103.7 secs Computing kpt #: 70 total cpu time spent up to now is 104.6 secs Computing kpt #: 71 total cpu time spent up to now is 105.3 secs Computing kpt #: 72 total cpu time spent up to now is 106.3 secs Computing kpt #: 73 total cpu time spent up to now is 107.3 secs Computing kpt #: 74 total cpu time spent up to now is 108.3 secs Computing kpt #: 75 total cpu time spent up to now is 109.8 secs Computing kpt #: 76 total cpu time spent up to now is 110.8 secs Computing kpt #: 77 total cpu time spent up to now is 111.9 secs Computing kpt #: 78 total cpu time spent up to now is 112.7 secs Computing kpt #: 79 total cpu time spent up to now is 113.4 secs Computing kpt #: 80 total cpu time spent up to now is 114.1 secs Computing kpt #: 81 total cpu time spent up to now is 114.8 secs Computing kpt #: 82 total cpu time spent up to now is 115.4 secs Computing kpt #: 83 total cpu time spent up to now is 116.1 secs Computing kpt #: 84 total cpu time spent up to now is 116.7 secs Computing kpt #: 85 total cpu time spent up to now is 117.4 secs Computing kpt #: 86 total cpu time spent up to now is 118.1 secs Computing kpt #: 87 total cpu time spent up to now is 118.8 secs Computing kpt #: 88 total cpu time spent up to now is 119.5 secs Computing kpt #: 89 total cpu time spent up to now is 120.2 secs Computing kpt #: 90 total cpu time spent up to now is 120.9 secs Computing kpt #: 91 total cpu time spent up to now is 121.7 secs Computing kpt #: 92 total cpu time spent up to now is 122.4 secs Computing kpt #: 93 total cpu time spent up to now is 123.2 secs Computing kpt #: 94 total cpu time spent up to now is 124.1 secs Computing kpt #: 95 total cpu time spent up to now is 125.3 secs Computing kpt #: 96 total cpu time spent up to now is 127.0 secs Computing kpt #: 97 total cpu time spent up to now is 128.1 secs Computing kpt #: 98 total cpu time spent up to now is 128.9 secs Computing kpt #: 99 total cpu time spent up to now is 129.9 secs Computing kpt #: 100 total cpu time spent up to now is 130.9 secs Computing kpt #: 101 total cpu time spent up to now is 132.0 secs Computing kpt #: 102 total cpu time spent up to now is 133.6 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.6 secs Computing kpt #: 104 total cpu time spent up to now is 137.0 secs Computing kpt #: 105 total cpu time spent up to now is 138.1 secs Computing kpt #: 106 total cpu time spent up to now is 139.1 secs Computing kpt #: 107 total cpu time spent up to now is 140.0 secs Computing kpt 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total cpu time spent up to now is 152.3 secs Computing kpt #: 124 total cpu time spent up to now is 153.0 secs Computing kpt #: 125 total cpu time spent up to now is 153.8 secs Computing kpt #: 126 total cpu time spent up to now is 154.5 secs Computing kpt #: 127 total cpu time spent up to now is 155.2 secs Computing kpt #: 128 total cpu time spent up to now is 155.9 secs Computing kpt #: 129 total cpu time spent up to now is 156.5 secs Computing kpt #: 130 total cpu time spent up to now is 157.1 secs Computing kpt #: 131 total cpu time spent up to now is 157.8 secs Computing kpt #: 132 total cpu time spent up to now is 158.5 secs Computing kpt #: 133 total cpu time spent up to now is 159.2 secs Computing kpt #: 134 total cpu time spent up to now is 159.9 secs Computing kpt #: 135 total cpu time spent up to now is 160.6 secs Computing kpt #: 136 total cpu time spent up to now is 161.4 secs Computing kpt #: 137 total cpu time spent up to now is 162.1 secs Computing kpt #: 138 total cpu 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up to now is 174.7 secs Computing kpt #: 154 total cpu time spent up to now is 175.3 secs Computing kpt #: 155 total cpu time spent up to now is 175.8 secs Computing kpt #: 156 total cpu time spent up to now is 176.4 secs Computing kpt #: 157 total cpu time spent up to now is 177.1 secs Computing kpt #: 158 total cpu time spent up to now is 177.8 secs Computing kpt #: 159 total cpu time spent up to now is 178.5 secs Computing kpt #: 160 total cpu time spent up to now is 179.2 secs Computing kpt #: 161 total cpu time spent up to now is 180.0 secs Computing kpt #: 162 total cpu time spent up to now is 180.9 secs Computing kpt #: 163 total cpu time spent up to now is 181.8 secs Computing kpt #: 164 total cpu time spent up to now is 182.7 secs Computing kpt #: 165 total cpu time spent up to now is 183.7 secs Computing kpt #: 166 total cpu time spent up to now is 184.7 secs Computing kpt #: 167 total cpu time spent up to now is 185.7 secs Computing kpt #: 168 total cpu time spent up to now is 186.6 secs Computing kpt #: 169 total cpu time spent up to now is 187.6 secs Computing kpt #: 170 total cpu time spent up to now is 188.6 secs Computing kpt #: 171 total cpu time spent up to now is 189.5 secs Computing kpt #: 172 total cpu time spent up to now is 190.5 secs Computing kpt #: 173 total cpu time spent up to now is 191.4 secs Computing kpt #: 174 total cpu time spent up to now is 192.3 secs Computing kpt #: 175 total cpu time spent up to now is 193.2 secs Computing kpt #: 176 total cpu time spent up to now is 194.1 secs Computing kpt #: 177 total cpu time spent up to now is 195.0 secs Computing kpt #: 178 total cpu time spent up to now is 195.9 secs Computing kpt #: 179 total cpu time spent up to now is 196.7 secs Computing kpt #: 180 total cpu time spent up to now is 197.6 secs Computing kpt #: 181 total cpu time spent up to now is 198.5 secs Computing kpt #: 182 total cpu time spent up to now is 199.3 secs Computing kpt #: 183 total cpu time spent up to now is 200.1 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Computing kpt #: 199 total cpu time spent up to now is 211.3 secs Computing kpt #: 200 total cpu time spent up to now is 211.9 secs Computing kpt #: 201 total cpu time spent up to now is 212.6 secs Computing kpt #: 202 total cpu time spent up to now is 213.3 secs Computing kpt #: 203 total cpu time spent up to now is 213.9 secs Computing kpt #: 204 total cpu time spent up to now is 214.5 secs Computing kpt #: 205 total cpu time spent up to now is 215.2 secs Computing kpt #: 206 total cpu time spent up to now is 215.9 secs Computing kpt #: 207 total cpu time spent up to now is 216.5 secs Computing kpt #: 208 total cpu time spent up to now is 217.1 secs Computing kpt #: 209 total cpu time spent up to now is 217.7 secs Computing kpt #: 210 total cpu time spent up to now is 218.3 secs Computing kpt #: 211 total cpu time spent up to now is 218.9 secs Computing kpt #: 212 total cpu time spent up to now is 219.6 secs Computing kpt #: 213 total cpu time spent up to now is 220.4 secs Computing kpt #: 214 total cpu time spent up to now is 221.0 secs Computing kpt #: 215 total cpu time spent up to now is 221.7 secs Computing kpt #: 216 total cpu time spent up to now is 222.4 secs Computing kpt #: 217 total cpu time spent up to now is 223.0 secs Computing kpt #: 218 total cpu time spent up to now is 223.7 secs Computing kpt #: 219 total cpu time spent up to now is 224.4 secs Computing kpt #: 220 total cpu time spent up to now is 225.1 secs Computing kpt #: 221 total cpu time spent up to now is 225.8 secs Computing kpt #: 222 total cpu time spent up to now is 226.5 secs Computing kpt #: 223 total cpu time spent up to now is 227.2 secs Computing kpt #: 224 total cpu time spent up to now is 227.9 secs Computing kpt #: 225 total cpu time spent up to now is 228.6 secs Computing kpt #: 226 total cpu time spent up to now is 229.3 secs Computing kpt #: 227 total cpu time spent up to now is 229.9 secs Computing kpt #: 228 total cpu time spent up to now is 230.5 secs Computing kpt #: 229 total cpu time spent up to now is 231.3 secs Computing kpt #: 230 total cpu time spent up to now is 231.9 secs Computing kpt #: 231 total cpu time spent up to now is 232.6 secs Computing kpt #: 232 total cpu time spent up to now is 233.2 secs Computing kpt #: 233 total cpu time spent up to now is 233.9 secs Computing kpt #: 234 total cpu time spent up to now is 234.5 secs Computing kpt #: 235 total cpu time spent up to now is 235.1 secs Computing kpt #: 236 total cpu time spent up to now is 235.6 secs Computing kpt #: 237 total cpu time spent up to now is 236.2 secs Computing kpt #: 238 total cpu time spent up to now is 236.8 secs Computing kpt #: 239 total cpu time spent up to now is 237.4 secs Computing kpt #: 240 total cpu time spent up to now is 238.0 secs Computing kpt #: 241 total cpu time spent up to now is 238.6 secs Computing kpt #: 242 total cpu time spent up to now is 239.2 secs Computing kpt #: 243 total cpu time spent up to now is 239.8 secs Computing kpt #: 244 total cpu time spent up to now is 240.4 secs Computing kpt #: 245 total cpu time spent up to now is 241.0 secs Computing kpt #: 246 total cpu time spent up to now is 241.7 secs Computing kpt #: 247 total cpu time spent up to now is 242.3 secs Computing kpt #: 248 total cpu time spent up to now is 243.0 secs Computing kpt #: 249 total cpu time spent up to now is 243.8 secs Computing kpt #: 250 total cpu time spent up to now is 244.4 secs Computing kpt #: 251 total cpu time spent up to now is 245.1 secs Computing kpt #: 252 total cpu time spent up to now is 245.8 secs Computing kpt #: 253 total cpu time spent up to now is 246.6 secs Computing kpt #: 254 total cpu time spent up to now is 247.3 secs Computing kpt #: 255 total cpu time spent up to now is 248.0 secs Computing kpt #: 256 total cpu time spent up to now is 248.8 secs Computing kpt #: 257 total cpu time spent up to now is 249.6 secs Computing kpt #: 258 total cpu time spent up to now is 250.4 secs Computing kpt #: 259 total cpu time spent up to now is 251.3 secs Computing kpt #: 260 total cpu time spent up to now is 252.1 secs Computing kpt #: 261 total cpu time spent up to now is 253.0 secs Computing kpt #: 262 total cpu time spent up to now is 254.0 secs Computing kpt #: 263 total cpu time spent up to now is 254.9 secs Computing kpt #: 264 total cpu time spent up to now is 256.1 secs Computing kpt #: 265 total cpu time spent up to now is 257.1 secs Computing kpt #: 266 total cpu time spent up to now is 258.2 secs Computing kpt #: 267 total cpu time spent up to now is 259.2 secs Computing kpt #: 268 total cpu time spent up to now is 260.3 secs Computing kpt #: 269 total cpu time spent up to now is 261.5 secs Computing kpt #: 270 total cpu time spent up to now is 262.6 secs Computing kpt #: 271 total cpu time spent up to now is 263.7 secs Computing kpt #: 272 total cpu time spent up to now is 264.8 secs Computing kpt #: 273 total cpu time spent up to now is 265.8 secs Computing kpt #: 274 total cpu time spent up to now is 266.8 secs Computing kpt #: 275 total cpu time spent up to now is 267.8 secs Computing kpt #: 276 total cpu time spent up to now is 268.8 secs Computing kpt #: 277 total cpu time spent up to now is 269.8 secs Computing kpt #: 278 total cpu time spent up to now is 270.7 secs Computing kpt #: 279 total cpu time spent up to now is 271.6 secs Computing kpt #: 280 total cpu time spent up to now is 272.6 secs Computing kpt #: 281 total cpu time spent up to now is 273.5 secs Computing kpt #: 282 total cpu time spent up to now is 274.5 secs Computing kpt #: 283 total cpu time spent up to now is 275.4 secs Computing kpt #: 284 total cpu time spent up to now is 276.4 secs Computing kpt #: 285 total cpu time spent up to now is 277.3 secs Computing kpt #: 286 total cpu time spent up to now is 278.3 secs Computing kpt #: 287 total cpu time spent up to now is 279.2 secs Computing kpt #: 288 total cpu time spent up to now is 280.3 secs Computing kpt #: 289 total cpu time spent up to now is 281.2 secs Computing kpt #: 290 total cpu time spent up to now is 282.2 secs Computing kpt #: 291 total cpu time spent up to now is 283.2 secs Computing kpt #: 292 total cpu time spent up to now is 284.1 secs Computing kpt #: 293 total cpu time spent up to now is 284.8 secs Computing kpt #: 294 total cpu time spent up to now is 285.5 secs Computing kpt #: 295 total cpu time spent up to now is 286.1 secs Computing kpt #: 296 total cpu time spent up to now is 286.8 secs Computing kpt #: 297 total cpu time spent up to now is 287.5 secs Computing kpt #: 298 total cpu time spent up to now is 288.2 secs Computing kpt #: 299 total cpu time spent up to now is 289.0 secs Computing kpt #: 300 total cpu time spent up to now is 289.9 secs Computing kpt #: 301 total cpu time spent up to now is 291.1 secs Computing kpt #: 302 total cpu time spent up to now is 292.4 secs Computing kpt #: 303 total cpu time spent up to now is 293.4 secs Computing kpt #: 304 total cpu time spent up to now is 294.4 secs Computing kpt #: 305 total cpu time spent up to now is 295.3 secs Computing kpt #: 306 total cpu time spent up to now is 296.2 secs Computing kpt #: 307 total cpu time spent up to now is 297.1 secs Computing kpt #: 308 total cpu time spent up to now is 298.0 secs Computing kpt #: 309 total cpu time spent up to now is 298.9 secs Computing kpt #: 310 total cpu time spent up to now is 299.9 secs Computing kpt #: 311 total cpu time spent up to now is 300.8 secs Computing kpt #: 312 total cpu time spent up to now is 301.8 secs Computing kpt #: 313 total cpu time spent up to now is 302.7 secs Computing kpt #: 314 total cpu time spent up to now is 303.7 secs Computing kpt #: 315 total cpu time spent up to now is 304.8 secs Computing kpt #: 316 total cpu time spent up to now is 305.7 secs Computing kpt #: 317 total cpu time spent up to now is 306.7 secs Computing kpt #: 318 total cpu time spent up to now is 307.6 secs Computing kpt #: 319 total cpu time spent up to now is 308.5 secs Computing kpt #: 320 total cpu time spent up to now is 309.4 secs Computing kpt #: 321 total cpu time spent up to now is 310.3 secs Computing kpt #: 322 total cpu time spent up to now is 311.2 secs Computing kpt #: 323 total cpu time spent up to now is 312.0 secs Computing kpt #: 324 total cpu time spent up to now is 312.8 secs Computing kpt #: 325 total cpu time spent up to now is 313.7 secs Computing kpt #: 326 total cpu time spent up to now is 314.5 secs Computing kpt #: 327 total cpu time spent up to now is 315.8 secs Computing kpt #: 328 total cpu time spent up to now is 317.0 secs Computing kpt #: 329 total cpu time spent up to now is 318.1 secs Computing kpt #: 330 total cpu time spent up to now is 319.3 secs Computing kpt #: 331 total cpu time spent up to now is 320.4 secs Computing kpt #: 332 total cpu time spent up to now is 321.4 secs Computing kpt #: 333 total cpu time spent up to now is 322.7 secs Computing kpt #: 334 total cpu time spent up to now is 324.0 secs Computing kpt #: 335 total cpu time spent up to now is 325.0 secs Computing kpt #: 336 total cpu time spent up to now is 326.2 secs Computing kpt #: 337 total cpu time spent up to now is 327.5 secs Computing kpt #: 338 total cpu time spent up to now is 328.5 secs Computing kpt #: 339 total cpu time spent up to now is 329.8 secs Computing kpt #: 340 total cpu time spent up to now is 331.0 secs Computing kpt #: 341 total cpu time spent up to now is 332.3 secs Computing kpt #: 342 total cpu time spent up to now is 333.5 secs Computing kpt #: 343 total cpu time spent up to now is 335.0 secs Computing kpt #: 344 total cpu time spent up to now is 336.0 secs Computing kpt #: 345 total cpu time spent up to now is 337.5 secs Computing kpt #: 346 total cpu time spent up to now is 338.9 secs Computing kpt #: 347 total cpu time spent up to now is 340.5 secs Computing kpt #: 348 total cpu time spent up to now is 342.1 secs Computing kpt #: 349 total cpu time spent up to now is 343.9 secs Computing kpt #: 350 total cpu time spent up to now is 345.6 secs Computing kpt #: 351 total cpu time spent up to now is 347.0 secs Computing kpt #: 352 total cpu time spent up to now is 347.9 secs Computing kpt #: 353 total cpu time spent up to now is 348.7 secs Computing kpt #: 354 total cpu time spent up to now is 349.4 secs Computing kpt #: 355 total cpu time spent up to now is 350.1 secs Computing kpt #: 356 total cpu time spent up to now is 350.7 secs Computing kpt #: 357 total cpu time spent up to now is 351.4 secs Computing kpt #: 358 total cpu time spent up to now is 352.1 secs Computing kpt #: 359 total cpu time spent up to now is 352.6 secs Computing kpt #: 360 total cpu time spent up to now is 353.2 secs ethr = 3.13E-11, avg # of iterations = 36.4 total cpu time spent up to now is 353.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2197 PWs) bands (ev): -30.2556 -30.2556 -30.0661 -30.0661 -11.5070 -11.5070 -11.0120 -11.0120 -10.2269 -10.2269 -9.9618 -9.9618 -9.6252 -9.6252 -9.4708 -9.4708 -2.3166 -2.3166 -2.0472 -2.0472 8.1130 8.1130 8.1193 8.1193 8.3552 8.3552 8.4046 8.4046 9.2852 9.2852 10.4508 10.4508 12.3931 12.3931 13.4759 13.4759 13.5115 13.5115 15.8711 15.8711 k = 0.0109 0.0063-0.0000 ( 2189 PWs) bands (ev): -30.2555 -30.2555 -30.0661 -30.0661 -11.5070 -11.5070 -11.0123 -11.0123 -10.2269 -10.2269 -9.9620 -9.9620 -9.6255 -9.6255 -9.4711 -9.4711 -2.3156 -2.3156 -2.0464 -2.0464 8.1124 8.1124 8.1195 8.1195 8.3558 8.3558 8.4051 8.4051 9.2849 9.2849 10.4492 10.4492 12.3984 12.3984 13.4755 13.4755 13.5112 13.5112 15.8719 15.8719 k = 0.0217 0.0126-0.0000 ( 2189 PWs) bands (ev): -30.2553 -30.2553 -30.0662 -30.0662 -11.5069 -11.5069 -11.0132 -11.0132 -10.2269 -10.2269 -9.9626 -9.9626 -9.6267 -9.6267 -9.4719 -9.4719 -2.3126 -2.3126 -2.0441 -2.0441 8.1080 8.1080 8.1225 8.1225 8.3575 8.3575 8.4067 8.4067 9.2841 9.2841 10.4445 10.4445 12.4142 12.4142 13.4736 13.4736 13.5109 13.5109 15.8740 15.8740 k = 0.0326 0.0188-0.0000 ( 2189 PWs) bands (ev): -30.2550 -30.2550 -30.0663 -30.0663 -11.5067 -11.5067 -11.0148 -11.0148 -10.2268 -10.2268 -9.9637 -9.9637 -9.6286 -9.6286 -9.4732 -9.4732 -2.3075 -2.3075 -2.0402 -2.0402 8.0992 8.0992 8.1291 8.1291 8.3600 8.3600 8.4096 8.4096 9.2827 9.2827 10.4367 10.4367 12.4404 12.4404 13.4683 13.4683 13.5125 13.5125 15.8775 15.8775 k = 0.0435 0.0251-0.0000 ( 2193 PWs) bands (ev): -30.2545 -30.2545 -30.0665 -30.0665 -11.5065 -11.5065 -11.0170 -11.0170 -10.2266 -10.2266 -9.9651 -9.9651 -9.6312 -9.6312 -9.4751 -9.4751 -2.3004 -2.3004 -2.0348 -2.0348 8.0869 8.0869 8.1387 8.1387 8.3629 8.3629 8.4142 8.4142 9.2807 9.2807 10.4259 10.4259 12.4766 12.4766 13.4584 13.4584 13.5171 13.5171 15.8825 15.8825 k = 0.0543 0.0314-0.0000 ( 2193 PWs) bands (ev): -30.2539 -30.2539 -30.0668 -30.0668 -11.5062 -11.5062 -11.0198 -11.0198 -10.2264 -10.2264 -9.9669 -9.9669 -9.6346 -9.6346 -9.4775 -9.4775 -2.2914 -2.2914 -2.0278 -2.0278 8.0714 8.0714 8.1510 8.1510 8.3659 8.3659 8.4209 8.4209 9.2783 9.2783 10.4122 10.4122 12.5226 12.5226 13.4440 13.4440 13.5245 13.5245 15.8888 15.8888 k = 0.0652 0.0377-0.0000 ( 2195 PWs) bands (ev): -30.2531 -30.2531 -30.0671 -30.0671 -11.5059 -11.5059 -11.0232 -11.0232 -10.2262 -10.2262 -9.9691 -9.9691 -9.6388 -9.6388 -9.4803 -9.4803 -2.2805 -2.2805 -2.0195 -2.0195 8.0533 8.0533 8.1661 8.1661 8.3686 8.3686 8.4301 8.4301 9.2753 9.2753 10.3957 10.3957 12.5779 12.5779 13.4258 13.4258 13.5342 13.5342 15.8965 15.8965 k = 0.0761 0.0439-0.0000 ( 2199 PWs) bands (ev): -30.2523 -30.2523 -30.0675 -30.0675 -11.5055 -11.5055 -11.0272 -11.0272 -10.2259 -10.2259 -9.9717 -9.9717 -9.6437 -9.6437 -9.4836 -9.4836 -2.2677 -2.2677 -2.0097 -2.0097 8.0328 8.0328 8.1838 8.1838 8.3709 8.3709 8.4420 8.4420 9.2718 9.2718 10.3766 10.3766 12.6421 12.6421 13.4042 13.4042 13.5455 13.5455 15.9056 15.9056 k = 0.0870 0.0502-0.0000 ( 2195 PWs) bands (ev): -30.2513 -30.2513 -30.0679 -30.0679 -11.5051 -11.5051 -11.0317 -11.0317 -10.2256 -10.2256 -9.9746 -9.9746 -9.6493 -9.6493 -9.4873 -9.4873 -2.2532 -2.2532 -1.9985 -1.9985 8.0105 8.0105 8.2041 8.2041 8.3729 8.3729 8.4566 8.4566 9.2680 9.2680 10.3551 10.3551 12.7144 12.7144 13.3797 13.3797 13.5579 13.5579 15.9159 15.9159 k = 0.0978 0.0565-0.0000 ( 2195 PWs) bands (ev): -30.2501 -30.2501 -30.0684 -30.0684 -11.5046 -11.5046 -11.0369 -11.0369 -10.2251 -10.2251 -9.9778 -9.9778 -9.6557 -9.6557 -9.4914 -9.4914 -2.2370 -2.2370 -1.9861 -1.9861 7.9866 7.9866 8.2269 8.2269 8.3746 8.3746 8.4736 8.4736 9.2637 9.2637 10.3313 10.3313 12.7945 12.7945 13.3527 13.3527 13.5709 13.5709 15.9275 15.9275 k = 0.1087 0.0628-0.0000 ( 2195 PWs) bands (ev): -30.2489 -30.2489 -30.0690 -30.0690 -11.5041 -11.5041 -11.0425 -11.0425 -10.2246 -10.2246 -9.9813 -9.9813 -9.6627 -9.6627 -9.4958 -9.4958 -2.2192 -2.2192 -1.9725 -1.9725 7.9617 7.9617 8.2521 8.2521 8.3763 8.3763 8.4930 8.4930 9.2590 9.2590 10.3054 10.3054 12.8814 12.8814 13.3235 13.3235 13.5841 13.5841 15.9404 15.9404 k = 0.1196 0.0690-0.0000 ( 2195 PWs) bands (ev): -30.2475 -30.2475 -30.0696 -30.0696 -11.5035 -11.5035 -11.0488 -11.0488 -10.2240 -10.2240 -9.9850 -9.9850 -9.6704 -9.6704 -9.5006 -9.5006 -2.1999 -2.1999 -1.9577 -1.9577 7.9362 7.9362 8.2796 8.2796 8.3783 8.3783 8.5147 8.5147 9.2540 9.2540 10.2776 10.2776 12.9747 12.9747 13.2924 13.2924 13.5970 13.5970 15.9544 15.9544 k = 0.1304 0.0753-0.0000 ( 2192 PWs) bands (ev): -30.2460 -30.2460 -30.0703 -30.0703 -11.5029 -11.5029 -11.0555 -11.0555 -10.2234 -10.2234 -9.9890 -9.9890 -9.6787 -9.6787 -9.5056 -9.5056 -2.1792 -2.1792 -1.9418 -1.9418 7.9105 7.9105 8.3090 8.3090 8.3809 8.3809 8.5385 8.5385 9.2488 9.2488 10.2481 10.2481 13.0733 13.0733 13.2598 13.2598 13.6092 13.6092 15.9694 15.9694 k = 0.1413 0.0816-0.0000 ( 2196 PWs) bands (ev): -30.2444 -30.2444 -30.0710 -30.0710 -11.5022 -11.5022 -11.0628 -11.0628 -10.2226 -10.2226 -9.9931 -9.9931 -9.6877 -9.6877 -9.5109 -9.5109 -2.1572 -2.1572 -1.9249 -1.9249 7.8849 7.8849 8.3396 8.3396 8.3848 8.3848 8.5643 8.5643 9.2432 9.2432 10.2172 10.2172 13.1762 13.1762 13.2262 13.2262 13.6203 13.6203 15.9855 15.9855 k = 0.1522 0.0879-0.0000 ( 2196 PWs) bands (ev): -30.2427 -30.2427 -30.0718 -30.0718 -11.5014 -11.5014 -11.0705 -11.0705 -10.2217 -10.2217 -9.9975 -9.9975 -9.6972 -9.6972 -9.5165 -9.5165 -2.1340 -2.1340 -1.9072 -1.9072 7.8599 7.8599 8.3675 8.3675 8.3940 8.3940 8.5921 8.5921 9.2375 9.2375 10.1849 10.1849 13.1903 13.1903 13.2842 13.2842 13.6299 13.6299 16.0025 16.0025 k = 0.1630 0.0941-0.0000 ( 2200 PWs) bands (ev): -30.2409 -30.2409 -30.0727 -30.0727 -11.5007 -11.5007 -11.0786 -11.0786 -10.2206 -10.2206 -10.0019 -10.0019 -9.7073 -9.7073 -9.5222 -9.5222 -2.1098 -2.1098 -1.8887 -1.8887 7.8356 7.8356 8.3816 8.3816 8.4196 8.4196 8.6218 8.6218 9.2316 9.2316 10.1516 10.1516 13.1547 13.1547 13.3937 13.3937 13.6378 13.6378 16.0202 16.0202 k = 0.1739 0.1004-0.0000 ( 2200 PWs) bands (ev): -30.2389 -30.2389 -30.0736 -30.0736 -11.4998 -11.4998 -11.0872 -11.0872 -10.2194 -10.2194 -10.0065 -10.0065 -9.7179 -9.7179 -9.5281 -9.5281 -2.0847 -2.0847 -1.8695 -1.8695 7.8125 7.8125 8.3882 8.3882 8.4551 8.4551 8.6533 8.6533 9.2257 9.2257 10.1173 10.1173 13.1183 13.1183 13.5048 13.5048 13.6436 13.6436 16.0387 16.0387 k = 0.1848 0.1067-0.0000 ( 2196 PWs) bands (ev): -30.2369 -30.2369 -30.0746 -30.0746 -11.4989 -11.4989 -11.0962 -11.0962 -10.2181 -10.2181 -10.0112 -10.0112 -9.7289 -9.7289 -9.5342 -9.5342 -2.0588 -2.0588 -1.8497 -1.8497 7.7908 7.7908 8.3939 8.3939 8.4938 8.4938 8.6867 8.6867 9.2198 9.2198 10.0823 10.0823 13.0817 13.0817 13.6158 13.6158 13.6473 13.6473 16.0577 16.0577 k = 0.1957 0.1130-0.0000 ( 2188 PWs) bands (ev): -30.2348 -30.2348 -30.0756 -30.0756 -11.4980 -11.4980 -11.1055 -11.1055 -10.2166 -10.2166 -10.0159 -10.0159 -9.7403 -9.7403 -9.5403 -9.5403 -2.0321 -2.0321 -1.8295 -1.8295 7.7707 7.7707 8.4001 8.4001 8.5344 8.5344 8.7217 8.7217 9.2138 9.2138 10.0467 10.0467 13.0448 13.0448 13.6487 13.6487 13.7251 13.7251 16.0772 16.0772 k = 0.2065 0.1192-0.0000 ( 2186 PWs) bands (ev): -30.2326 -30.2326 -30.0767 -30.0767 -11.4970 -11.4970 -11.1152 -11.1152 -10.2149 -10.2149 -10.0206 -10.0206 -9.7521 -9.7521 -9.5466 -9.5466 -2.0050 -2.0050 -1.8088 -1.8088 7.7523 7.7523 8.4070 8.4070 8.5763 8.5763 8.7585 8.7585 9.2080 9.2080 10.0107 10.0107 13.0081 13.0081 13.6476 13.6476 13.8305 13.8305 16.0972 16.0972 k = 0.2174 0.1255-0.0000 ( 2190 PWs) bands (ev): -30.2303 -30.2303 -30.0779 -30.0779 -11.4960 -11.4960 -11.1252 -11.1252 -10.2130 -10.2130 -10.0253 -10.0253 -9.7642 -9.7642 -9.5530 -9.5530 -1.9775 -1.9775 -1.7879 -1.7879 7.7359 7.7359 8.4147 8.4147 8.6191 8.6191 8.7970 8.7970 9.2023 9.2023 9.9744 9.9744 12.9715 12.9715 13.6442 13.6442 13.9295 13.9295 16.1179 16.1179 k = 0.2283 0.1318-0.0000 ( 2190 PWs) bands (ev): -30.2280 -30.2280 -30.0791 -30.0791 -11.4948 -11.4948 -11.1354 -11.1354 -10.2109 -10.2109 -10.0300 -10.0300 -9.7765 -9.7765 -9.5595 -9.5595 -1.9497 -1.9497 -1.7669 -1.7669 7.7217 7.7217 8.4234 8.4234 8.6626 8.6626 8.8371 8.8371 9.1968 9.1968 9.9380 9.9380 12.9353 12.9353 13.6386 13.6386 14.0190 14.0190 16.1401 16.1401 k = 0.2391 0.1381-0.0000 ( 2198 PWs) bands (ev): -30.2256 -30.2256 -30.0803 -30.0803 -11.4937 -11.4937 -11.1459 -11.1459 -10.2086 -10.2086 -10.0347 -10.0347 -9.7891 -9.7891 -9.5660 -9.5660 -1.9217 -1.9217 -1.7457 -1.7457 7.7095 7.7095 8.4331 8.4331 8.7064 8.7064 8.8788 8.8788 9.1916 9.1916 9.9017 9.9017 12.8997 12.8997 13.6308 13.6308 14.0956 14.0956 16.1652 16.1652 k = 0.2500 0.1443-0.0000 ( 2198 PWs) bands (ev): -30.2231 -30.2231 -30.0817 -30.0817 -11.4924 -11.4924 -11.1566 -11.1566 -10.2060 -10.2060 -10.0393 -10.0393 -9.8018 -9.8018 -9.5725 -9.5725 -1.8937 -1.8937 -1.7247 -1.7247 7.6996 7.6996 8.4438 8.4438 8.7502 8.7502 8.9221 8.9221 9.1868 9.1868 9.8655 9.8655 12.8647 12.8647 13.6211 13.6211 14.1558 14.1558 16.1957 16.1957 k = 0.2609 0.1506-0.0000 ( 2198 PWs) bands (ev): -30.2205 -30.2205 -30.0830 -30.0830 -11.4911 -11.4911 -11.1674 -11.1674 -10.2032 -10.2032 -10.0438 -10.0438 -9.8146 -9.8146 -9.5790 -9.5790 -1.8659 -1.8659 -1.7038 -1.7038 7.6920 7.6920 8.4556 8.4556 8.7938 8.7938 8.9669 8.9669 9.1825 9.1825 9.8296 9.8296 12.8305 12.8305 13.6097 13.6097 14.1965 14.1965 16.2350 16.2350 k = 0.2717 0.1569-0.0000 ( 2198 PWs) bands (ev): -30.2180 -30.2180 -30.0845 -30.0845 -11.4897 -11.4897 -11.1784 -11.1784 -10.2001 -10.2001 -10.0482 -10.0482 -9.8275 -9.8275 -9.5854 -9.5854 -1.8383 -1.8383 -1.6832 -1.6832 7.6866 7.6866 8.4683 8.4683 8.8367 8.8367 9.0131 9.0131 9.1787 9.1787 9.7941 9.7941 12.7972 12.7972 13.5968 13.5968 14.2156 14.2156 16.2867 16.2867 k = 0.2826 0.1632-0.0000 ( 2204 PWs) bands (ev): -30.2153 -30.2153 -30.0859 -30.0859 -11.4882 -11.4882 -11.1894 -11.1894 -10.1968 -10.1968 -10.0525 -10.0525 -9.8404 -9.8404 -9.5919 -9.5919 -1.8110 -1.8110 -1.6629 -1.6629 7.6835 7.6835 8.4820 8.4820 8.8787 8.8787 9.0604 9.0604 9.1756 9.1756 9.7591 9.7591 12.7648 12.7648 13.5827 13.5827 14.2124 14.2124 16.3536 16.3536 k = 0.2935 0.1694-0.0000 ( 2200 PWs) bands (ev): -30.2127 -30.2127 -30.0875 -30.0875 -11.4865 -11.4865 -11.2005 -11.2005 -10.1932 -10.1932 -10.0566 -10.0566 -9.8534 -9.8534 -9.5982 -9.5982 -1.7843 -1.7843 -1.6431 -1.6431 7.6826 7.6826 8.4967 8.4967 8.9195 8.9195 9.1085 9.1085 9.1737 9.1737 9.7247 9.7247 12.7336 12.7336 13.5676 13.5676 14.1884 14.1884 16.4363 16.4363 k = 0.3043 0.1757-0.0000 ( 2202 PWs) bands (ev): -30.2100 -30.2100 -30.0890 -30.0890 -11.4848 -11.4848 -11.2115 -11.2115 -10.1893 -10.1893 -10.0606 -10.0606 -9.8662 -9.8662 -9.6045 -9.6045 -1.7581 -1.7581 -1.6238 -1.6238 7.6837 7.6837 8.5122 8.5122 8.9586 8.9586 9.1550 9.1550 9.1752 9.1752 9.6911 9.6911 12.7036 12.7036 13.5518 13.5518 14.1461 14.1461 16.5287 16.5287 k = 0.3152 0.1820-0.0000 ( 2202 PWs) bands (ev): -30.2073 -30.2073 -30.0906 -30.0906 -11.4830 -11.4830 -11.2226 -11.2226 -10.1851 -10.1851 -10.0644 -10.0644 -9.8790 -9.8790 -9.6106 -9.6106 -1.7326 -1.7326 -1.6052 -1.6052 7.6868 7.6868 8.5283 8.5283 8.9956 8.9956 9.1699 9.1699 9.2100 9.2100 9.6584 9.6584 12.6748 12.6748 13.5356 13.5356 14.0889 14.0889 16.5949 16.5949 k = 0.3261 0.1883-0.0000 ( 2200 PWs) bands (ev): -30.2047 -30.2047 -30.0923 -30.0923 -11.4810 -11.4810 -11.2335 -11.2335 -10.1806 -10.1806 -10.0681 -10.0681 -9.8917 -9.8917 -9.6166 -9.6166 -1.7079 -1.7079 -1.5873 -1.5873 7.6917 7.6917 8.5452 8.5452 9.0299 9.0299 9.1729 9.1729 9.2589 9.2589 9.6267 9.6267 12.6473 12.6473 13.5191 13.5191 14.0204 14.0204 16.6268 16.6268 k = 0.3370 0.1945-0.0000 ( 2204 PWs) bands (ev): -30.2020 -30.2020 -30.0939 -30.0939 -11.4789 -11.4789 -11.2443 -11.2443 -10.1759 -10.1759 -10.0716 -10.0716 -9.9043 -9.9043 -9.6224 -9.6224 -1.6842 -1.6842 -1.5702 -1.5702 7.6982 7.6982 8.5626 8.5626 9.0603 9.0603 9.1783 9.1783 9.3080 9.3080 9.5961 9.5961 12.6212 12.6212 13.5026 13.5026 13.9439 13.9439 16.5873 16.5873 k = 0.3478 0.2008-0.0000 ( 2202 PWs) bands (ev): -30.1994 -30.1994 -30.0956 -30.0956 -11.4766 -11.4766 -11.2550 -11.2550 -10.1708 -10.1708 -10.0748 -10.0748 -9.9168 -9.9168 -9.6280 -9.6280 -1.6614 -1.6614 -1.5540 -1.5540 7.7061 7.7061 8.5803 8.5803 9.0855 9.0855 9.1877 9.1877 9.3563 9.3563 9.5670 9.5670 12.5965 12.5965 13.4863 13.4863 13.8624 13.8624 16.5049 16.5049 k = 0.3587 0.2071-0.0000 ( 2206 PWs) bands (ev): -30.1968 -30.1968 -30.0973 -30.0973 -11.4743 -11.4743 -11.2655 -11.2655 -10.1655 -10.1655 -10.0779 -10.0779 -9.9290 -9.9290 -9.6334 -9.6334 -1.6397 -1.6397 -1.5387 -1.5387 7.7152 7.7152 8.5982 8.5982 9.1044 9.1044 9.2023 9.2023 9.4029 9.4029 9.5397 9.5397 12.5734 12.5734 13.4703 13.4703 13.7785 13.7785 16.4252 16.4252 k = 0.3696 0.2134-0.0000 ( 2208 PWs) bands (ev): -30.1942 -30.1942 -30.0990 -30.0990 -11.4718 -11.4718 -11.2756 -11.2756 -10.1598 -10.1598 -10.0808 -10.0808 -9.9411 -9.9411 -9.6385 -9.6385 -1.6192 -1.6192 -1.5245 -1.5245 7.7252 7.7252 8.6161 8.6161 9.1174 9.1174 9.2213 9.2213 9.4456 9.4456 9.5166 9.5166 12.5517 12.5517 13.4548 13.4548 13.6942 13.6942 16.3489 16.3489 k = 0.3804 0.2196-0.0000 ( 2200 PWs) bands (ev): -30.1917 -30.1917 -30.1006 -30.1006 -11.4691 -11.4691 -11.2855 -11.2855 -10.1539 -10.1539 -10.0834 -10.0834 -9.9530 -9.9530 -9.6433 -9.6433 -1.5999 -1.5999 -1.5113 -1.5113 7.7359 7.7359 8.6338 8.6338 9.1264 9.1264 9.2426 9.2426 9.4675 9.4675 9.5140 9.5140 12.5317 12.5317 13.4399 13.4399 13.6114 13.6114 16.2764 16.2764 k = 0.3913 0.2259-0.0000 ( 2198 PWs) bands (ev): -30.1893 -30.1893 -30.1023 -30.1023 -11.4663 -11.4663 -11.2951 -11.2951 -10.1476 -10.1476 -10.0858 -10.0858 -9.9646 -9.9646 -9.6478 -9.6478 -1.5819 -1.5819 -1.4992 -1.4992 7.7470 7.7470 8.6511 8.6511 9.1334 9.1334 9.2641 9.2641 9.4543 9.4543 9.5463 9.5463 12.5133 12.5133 13.4253 13.4253 13.5318 13.5318 16.2082 16.2082 k = 0.4022 0.2322-0.0000 ( 2202 PWs) bands (ev): -30.1870 -30.1870 -30.1039 -30.1039 -11.4635 -11.4635 -11.3042 -11.3042 -10.1412 -10.1412 -10.0880 -10.0880 -9.9761 -9.9761 -9.6520 -9.6520 -1.5654 -1.5654 -1.4882 -1.4882 7.7582 7.7582 8.6677 8.6677 9.1393 9.1393 9.2838 9.2838 9.4355 9.4355 9.5841 9.5841 12.4966 12.4966 13.4093 13.4093 13.4587 13.4587 16.1448 16.1448 k = 0.4130 0.2385-0.0000 ( 2198 PWs) bands (ev): -30.1848 -30.1848 -30.1054 -30.1054 -11.4605 -11.4605 -11.3128 -11.3128 -10.1344 -10.1344 -10.0900 -10.0900 -9.9873 -9.9873 -9.6558 -9.6558 -1.5502 -1.5502 -1.4784 -1.4784 7.7691 7.7691 8.6835 8.6835 9.1451 9.1451 9.3001 9.3001 9.4190 9.4190 9.6202 9.6202 12.4815 12.4815 13.3738 13.3738 13.4115 13.4115 16.0867 16.0867 k = 0.4239 0.2447-0.0000 ( 2194 PWs) bands (ev): -30.1828 -30.1828 -30.1069 -30.1069 -11.4575 -11.4575 -11.3209 -11.3209 -10.1274 -10.1274 -10.0916 -10.0916 -9.9982 -9.9982 -9.6592 -9.6592 -1.5367 -1.5367 -1.4698 -1.4698 7.7797 7.7797 8.6982 8.6982 9.1509 9.1509 9.3105 9.3105 9.4074 9.4074 9.6535 9.6535 12.4682 12.4682 13.3140 13.3140 13.3958 13.3958 16.0342 16.0342 k = 0.4348 0.2510-0.0000 ( 2194 PWs) bands (ev): -30.1810 -30.1810 -30.1082 -30.1082 -11.4546 -11.4546 -11.3283 -11.3283 -10.1203 -10.1203 -10.0929 -10.0929 -10.0090 -10.0090 -9.6622 -9.6622 -1.5247 -1.5247 -1.4625 -1.4625 7.7894 7.7894 8.7114 8.7114 9.1569 9.1569 9.3132 9.3132 9.4029 9.4029 9.6832 9.6832 12.4565 12.4565 13.2571 13.2571 13.3854 13.3854 15.9878 15.9878 k = 0.4457 0.2573-0.0000 ( 2198 PWs) bands (ev): -30.1794 -30.1794 -30.1094 -30.1094 -11.4517 -11.4517 -11.3350 -11.3350 -10.1131 -10.1131 -10.0937 -10.0937 -10.0194 -10.0194 -9.6648 -9.6648 -1.5144 -1.5144 -1.4563 -1.4563 7.7982 7.7982 8.7231 8.7231 9.1632 9.1632 9.3085 9.3085 9.4047 9.4047 9.7091 9.7091 12.4467 12.4467 13.2072 13.2072 13.3770 13.3770 15.9479 15.9479 k = 0.4565 0.2636-0.0000 ( 2194 PWs) bands (ev): -30.1780 -30.1780 -30.1104 -30.1104 -11.4491 -11.4491 -11.3408 -11.3408 -10.1065 -10.1065 -10.0935 -10.0935 -10.0297 -10.0297 -9.6669 -9.6669 -1.5058 -1.5058 -1.4513 -1.4513 7.8057 7.8057 8.7330 8.7330 9.1696 9.1696 9.2997 9.2997 9.4101 9.4101 9.7307 9.7307 12.4386 12.4386 13.1654 13.1654 13.3701 13.3701 15.9148 15.9148 k = 0.4674 0.2698-0.0000 ( 2194 PWs) bands (ev): -30.1768 -30.1768 -30.1113 -30.1113 -11.4468 -11.4468 -11.3456 -11.3456 -10.1020 -10.1020 -10.0907 -10.0907 -10.0396 -10.0396 -9.6686 -9.6686 -1.4990 -1.4990 -1.4475 -1.4475 7.8118 7.8118 8.7408 8.7408 9.1758 9.1758 9.2898 9.2898 9.4161 9.4161 9.7478 9.7478 12.4323 12.4323 13.1323 13.1323 13.3648 13.3648 15.8887 15.8887 k = 0.4783 0.2761-0.0000 ( 2192 PWs) bands (ev): -30.1760 -30.1760 -30.1119 -30.1119 -11.4451 -11.4451 -11.3491 -11.3491 -10.1004 -10.1004 -10.0845 -10.0845 -10.0493 -10.0493 -9.6698 -9.6698 -1.4941 -1.4941 -1.4447 -1.4447 7.8162 7.8162 8.7466 8.7466 9.1814 9.1814 9.2810 9.2810 9.4211 9.4211 9.7601 9.7601 12.4278 12.4278 13.1083 13.1083 13.3611 13.3611 15.8699 15.8699 k = 0.4891 0.2824-0.0000 ( 2192 PWs) bands (ev): -30.1755 -30.1755 -30.1123 -30.1123 -11.4439 -11.4439 -11.3513 -11.3513 -10.1001 -10.1001 -10.0767 -10.0767 -10.0586 -10.0586 -9.6705 -9.6705 -1.4912 -1.4912 -1.4431 -1.4431 7.8189 7.8189 8.7501 8.7501 9.1853 9.1853 9.2749 9.2749 9.4244 9.4244 9.7676 9.7676 12.4251 12.4251 13.0938 13.0938 13.3588 13.3588 15.8586 15.8586 k = 0.5000 0.2887-0.0000 ( 2186 PWs) bands (ev): -30.1753 -30.1753 -30.1124 -30.1124 -11.4435 -11.4435 -11.3521 -11.3521 -10.1000 -10.1000 -10.0698 -10.0698 -10.0659 -10.0659 -9.6707 -9.6707 -1.4902 -1.4902 -1.4426 -1.4426 7.8199 7.8199 8.7512 8.7512 9.1868 9.1868 9.2727 9.2727 9.4255 9.4255 9.7701 9.7701 12.4242 12.4242 13.0891 13.0891 13.3580 13.3580 15.8548 15.8548 k = 0.5000 0.2887-0.0000 ( 2186 PWs) bands (ev): -30.1753 -30.1753 -30.1124 -30.1124 -11.4435 -11.4435 -11.3521 -11.3521 -10.1000 -10.1000 -10.0698 -10.0698 -10.0659 -10.0659 -9.6707 -9.6707 -1.4902 -1.4902 -1.4426 -1.4426 7.8199 7.8199 8.7512 8.7512 9.1868 9.1868 9.2727 9.2727 9.4255 9.4255 9.7701 9.7701 12.4242 12.4242 13.0891 13.0891 13.3580 13.3580 15.8548 15.8548 k = 0.4938 0.2994-0.0000 ( 2188 PWs) bands (ev): -30.1753 -30.1753 -30.1124 -30.1124 -11.4435 -11.4435 -11.3521 -11.3521 -10.1007 -10.1007 -10.0710 -10.0710 -10.0641 -10.0641 -9.6710 -9.6710 -1.4900 -1.4900 -1.4421 -1.4421 7.8213 7.8213 8.7506 8.7506 9.1872 9.1872 9.2725 9.2725 9.4251 9.4251 9.7716 9.7716 12.4120 12.4120 13.0841 13.0841 13.3722 13.3722 15.8599 15.8599 k = 0.4877 0.3101-0.0000 ( 2196 PWs) bands (ev): -30.1751 -30.1751 -30.1126 -30.1126 -11.4436 -11.4436 -11.3521 -11.3521 -10.1024 -10.1024 -10.0727 -10.0727 -10.0609 -10.0609 -9.6718 -9.6718 -1.4896 -1.4896 -1.4406 -1.4406 7.8253 7.8253 8.7489 8.7489 9.1884 9.1884 9.2720 9.2720 9.4240 9.4240 9.7758 9.7758 12.3776 12.3776 13.0695 13.0695 13.4128 13.4128 15.8749 15.8749 k = 0.4815 0.3208-0.0000 ( 2192 PWs) bands (ev): -30.1749 -30.1749 -30.1128 -30.1128 -11.4437 -11.4437 -11.3521 -11.3521 -10.1052 -10.1052 -10.0741 -10.0741 -10.0571 -10.0571 -9.6731 -9.6731 -1.4888 -1.4888 -1.4380 -1.4380 7.8322 7.8322 8.7461 8.7461 9.1904 9.1904 9.2712 9.2712 9.4221 9.4221 9.7829 9.7829 12.3260 12.3260 13.0456 13.0456 13.4748 13.4748 15.8994 15.8994 k = 0.4753 0.3314-0.0000 ( 2196 PWs) bands (ev): -30.1745 -30.1745 -30.1131 -30.1131 -11.4438 -11.4438 -11.3521 -11.3521 -10.1088 -10.1088 -10.0751 -10.0751 -10.0532 -10.0532 -9.6749 -9.6749 -1.4877 -1.4877 -1.4346 -1.4346 7.8418 7.8418 8.7422 8.7422 9.1931 9.1931 9.2701 9.2701 9.4193 9.4193 9.7926 9.7926 12.2624 12.2624 13.0131 13.0131 13.5530 13.5530 15.9320 15.9320 k = 0.4691 0.3421-0.0000 ( 2208 PWs) bands (ev): -30.1740 -30.1740 -30.1134 -30.1134 -11.4439 -11.4439 -11.3522 -11.3522 -10.1129 -10.1129 -10.0759 -10.0759 -10.0490 -10.0490 -9.6772 -9.6772 -1.4862 -1.4862 -1.4303 -1.4303 7.8541 7.8541 8.7375 8.7375 9.1966 9.1966 9.2686 9.2686 9.4157 9.4157 9.8047 9.8047 12.1914 12.1914 12.9729 12.9729 13.6428 13.6428 15.9695 15.9695 k = 0.4630 0.3528-0.0000 ( 2204 PWs) bands (ev): -30.1735 -30.1735 -30.1139 -30.1139 -11.4441 -11.4441 -11.3523 -11.3523 -10.1174 -10.1174 -10.0765 -10.0765 -10.0448 -10.0448 -9.6800 -9.6800 -1.4843 -1.4843 -1.4253 -1.4253 7.8693 7.8693 8.7320 8.7320 9.2008 9.2008 9.2668 9.2668 9.4112 9.4113 9.8191 9.8191 12.1161 12.1161 12.9262 12.9262 13.7410 13.7410 15.9810 15.9810 k = 0.4568 0.3635-0.0000 ( 2210 PWs) bands (ev): -30.1728 -30.1728 -30.1144 -30.1144 -11.4442 -11.4442 -11.3524 -11.3524 -10.1221 -10.1221 -10.0769 -10.0769 -10.0405 -10.0405 -9.6832 -9.6832 -1.4820 -1.4820 -1.4197 -1.4197 7.8871 7.8871 8.7259 8.7259 9.2055 9.2055 9.2646 9.2646 9.4058 9.4058 9.8354 9.8354 12.0388 12.0388 12.8742 12.8742 13.8453 13.8453 15.9462 15.9462 k = 0.4506 0.3742-0.0000 ( 2206 PWs) bands (ev): -30.1720 -30.1720 -30.1150 -30.1150 -11.4444 -11.4444 -11.3525 -11.3525 -10.1270 -10.1270 -10.0773 -10.0773 -10.0362 -10.0362 -9.6868 -9.6868 -1.4793 -1.4793 -1.4134 -1.4134 7.9077 7.9077 8.7194 8.7194 9.2107 9.2107 9.2622 9.2622 9.3995 9.3995 9.8536 9.8536 11.9611 11.9611 12.8178 12.8178 13.9540 13.9540 15.9024 15.9024 k = 0.4444 0.3849-0.0000 ( 2206 PWs) bands (ev): -30.1711 -30.1711 -30.1157 -30.1157 -11.4445 -11.4445 -11.3527 -11.3527 -10.1320 -10.1320 -10.0776 -10.0776 -10.0319 -10.0319 -9.6908 -9.6908 -1.4762 -1.4762 -1.4067 -1.4067 7.9310 7.9310 8.7125 8.7125 9.2162 9.2162 9.2595 9.2595 9.3921 9.3921 9.8732 9.8732 11.8840 11.8840 12.7584 12.7584 14.0660 14.0660 15.8549 15.8549 k = 0.4383 0.3956-0.0000 ( 2206 PWs) bands (ev): -30.1701 -30.1701 -30.1165 -30.1165 -11.4447 -11.4447 -11.3529 -11.3529 -10.1370 -10.1370 -10.0779 -10.0779 -10.0276 -10.0276 -9.6952 -9.6952 -1.4728 -1.4728 -1.3997 -1.3997 7.9570 7.9570 8.7055 8.7055 9.2218 9.2218 9.2565 9.2565 9.3838 9.3838 9.8939 9.8939 11.8084 11.8084 12.6968 12.6968 14.1802 14.1802 15.8050 15.8050 k = 0.4321 0.4063-0.0000 ( 2202 PWs) bands (ev): -30.1690 -30.1690 -30.1174 -30.1174 -11.4448 -11.4448 -11.3532 -11.3532 -10.1421 -10.1421 -10.0782 -10.0782 -10.0234 -10.0234 -9.6998 -9.6998 -1.4690 -1.4690 -1.3924 -1.3924 7.9856 7.9856 8.6985 8.6985 9.2267 9.2267 9.2538 9.2538 9.3745 9.3745 9.9156 9.9156 11.7349 11.7349 12.6340 12.6340 14.2962 14.2962 15.7538 15.7538 k = 0.4259 0.4170-0.0000 ( 2200 PWs) bands (ev): -30.1679 -30.1679 -30.1183 -30.1183 -11.4450 -11.4450 -11.3536 -11.3536 -10.1470 -10.1470 -10.0785 -10.0785 -10.0192 -10.0192 -9.7047 -9.7047 -1.4650 -1.4650 -1.3848 -1.3848 8.0169 8.0169 8.6914 8.6914 9.2295 9.2295 9.2524 9.2524 9.3645 9.3645 9.9379 9.9379 11.6640 11.6640 12.5710 12.5710 14.4131 14.4131 15.7018 15.7018 k = 0.4198 0.4277-0.0000 ( 2200 PWs) bands (ev): -30.1666 -30.1666 -30.1193 -30.1193 -11.4451 -11.4451 -11.3540 -11.3540 -10.1518 -10.1518 -10.0788 -10.0788 -10.0150 -10.0150 -9.7099 -9.7099 -1.4608 -1.4608 -1.3772 -1.3772 8.0507 8.0507 8.6846 8.6846 9.2279 9.2279 9.2541 9.2541 9.3540 9.3540 9.9605 9.9605 11.5961 11.5961 12.5086 12.5086 14.5304 14.5304 15.6499 15.6499 k = 0.4136 0.4384-0.0000 ( 2200 PWs) bands (ev): -30.1653 -30.1653 -30.1204 -30.1204 -11.4451 -11.4451 -11.3546 -11.3546 -10.1565 -10.1565 -10.0790 -10.0790 -10.0110 -10.0110 -9.7151 -9.7151 -1.4563 -1.4563 -1.3696 -1.3696 8.0870 8.0870 8.6780 8.6780 9.2216 9.2216 9.2586 9.2586 9.3434 9.3434 9.9832 9.9832 11.5316 11.5316 12.4475 12.4475 14.6477 14.6477 15.5986 15.5986 k = 0.4074 0.4491-0.0000 ( 2196 PWs) bands (ev): -30.1639 -30.1639 -30.1216 -30.1216 -11.4451 -11.4451 -11.3552 -11.3552 -10.1610 -10.1610 -10.0793 -10.0793 -10.0071 -10.0071 -9.7205 -9.7205 -1.4518 -1.4518 -1.3620 -1.3620 8.1256 8.1256 8.6716 8.6716 9.2114 9.2114 9.2642 9.2642 9.3333 9.3333 10.0058 10.0058 11.4707 11.4707 12.3883 12.3883 14.7645 14.7645 15.5485 15.5485 k = 0.4012 0.4597-0.0000 ( 2192 PWs) bands (ev): -30.1623 -30.1623 -30.1228 -30.1228 -11.4451 -11.4451 -11.3559 -11.3559 -10.1653 -10.1653 -10.0795 -10.0795 -10.0033 -10.0032 -9.7258 -9.7258 -1.4473 -1.4473 -1.3547 -1.3547 8.1665 8.1665 8.6656 8.6656 9.1977 9.1977 9.2701 9.2701 9.3241 9.3241 10.0279 10.0279 11.4138 11.4138 12.3318 12.3318 14.8803 14.8803 15.5003 15.5003 k = 0.3951 0.4704-0.0000 ( 2192 PWs) bands (ev): -30.1608 -30.1608 -30.1242 -30.1242 -11.4450 -11.4450 -11.3566 -11.3566 -10.1693 -10.1693 -10.0797 -10.0797 -9.9996 -9.9996 -9.7312 -9.7312 -1.4427 -1.4427 -1.3476 -1.3476 8.2094 8.2094 8.6600 8.6600 9.1804 9.1804 9.2756 9.2756 9.3165 9.3165 10.0493 10.0493 11.3610 11.3610 12.2782 12.2782 14.9947 14.9947 15.4543 15.4543 k = 0.3889 0.4811-0.0000 ( 2190 PWs) bands (ev): -30.1591 -30.1591 -30.1256 -30.1256 -11.4449 -11.4449 -11.3575 -11.3575 -10.1730 -10.1730 -10.0798 -10.0798 -9.9962 -9.9962 -9.7364 -9.7364 -1.4383 -1.4383 -1.3408 -1.3408 8.2542 8.2542 8.6546 8.6546 9.1593 9.1593 9.2804 9.2804 9.3109 9.3109 10.0698 10.0698 11.3127 11.3127 12.2283 12.2283 15.1071 15.1071 15.4113 15.4113 k = 0.3827 0.4918-0.0000 ( 2196 PWs) bands (ev): -30.1574 -30.1574 -30.1271 -30.1271 -11.4447 -11.4447 -11.3584 -11.3584 -10.1764 -10.1764 -10.0800 -10.0800 -9.9930 -9.9930 -9.7413 -9.7413 -1.4340 -1.4340 -1.3345 -1.3345 8.3005 8.3005 8.6496 8.6496 9.1348 9.1348 9.2840 9.2840 9.3073 9.3073 10.0890 10.0890 11.2690 11.2690 12.1823 12.1823 15.2167 15.2167 15.3718 15.3718 k = 0.3765 0.5025-0.0000 ( 2198 PWs) bands (ev): -30.1556 -30.1556 -30.1287 -30.1287 -11.4445 -11.4445 -11.3593 -11.3593 -10.1794 -10.1794 -10.0801 -10.0801 -9.9900 -9.9900 -9.7460 -9.7460 -1.4300 -1.4300 -1.3286 -1.3286 8.3479 8.3479 8.6449 8.6449 9.1072 9.1072 9.2860 9.2860 9.3059 9.3059 10.1068 10.1068 11.2301 11.2301 12.1407 12.1407 15.3133 15.3133 15.3463 15.3463 k = 0.3704 0.5132-0.0000 ( 2204 PWs) bands (ev): -30.1538 -30.1538 -30.1303 -30.1303 -11.4442 -11.4442 -11.3602 -11.3602 -10.1821 -10.1821 -10.0802 -10.0802 -9.9874 -9.9874 -9.7503 -9.7503 -1.4264 -1.4264 -1.3234 -1.3234 8.3958 8.3958 8.6404 8.6404 9.0771 9.0771 9.2869 9.2869 9.3061 9.3061 10.1229 10.1229 11.1961 11.1961 12.1038 12.1038 15.2987 15.2987 15.4326 15.4326 k = 0.3642 0.5239-0.0000 ( 2204 PWs) bands (ev): -30.1519 -30.1519 -30.1321 -30.1321 -11.4439 -11.4439 -11.3612 -11.3612 -10.1843 -10.1843 -10.0802 -10.0802 -9.9852 -9.9852 -9.7541 -9.7541 -1.4230 -1.4230 -1.3188 -1.3188 8.4437 8.4437 8.6362 8.6362 9.0453 9.0453 9.2872 9.2872 9.3068 9.3068 10.1372 10.1372 11.1673 11.1673 12.0719 12.0719 15.2712 15.2712 15.5327 15.5327 k = 0.3580 0.5346-0.0000 ( 2204 PWs) bands (ev): -30.1500 -30.1500 -30.1339 -30.1339 -11.4437 -11.4437 -11.3620 -11.3620 -10.1862 -10.1862 -10.0802 -10.0802 -9.9834 -9.9834 -9.7574 -9.7574 -1.4202 -1.4202 -1.3149 -1.3149 8.4903 8.4903 8.6321 8.6321 9.0128 9.0128 9.2877 9.2877 9.3075 9.3075 10.1493 10.1493 11.1437 11.1437 12.0453 12.0453 15.2476 15.2476 15.6295 15.6295 k = 0.3519 0.5453-0.0000 ( 2208 PWs) bands (ev): -30.1480 -30.1480 -30.1357 -30.1357 -11.4434 -11.4434 -11.3628 -11.3628 -10.1877 -10.1877 -10.0802 -10.0802 -9.9819 -9.9819 -9.7600 -9.7600 -1.4179 -1.4179 -1.3118 -1.3118 8.5340 8.5340 8.6282 8.6282 8.9813 8.9813 9.2885 9.2885 9.3075 9.3075 10.1591 10.1591 11.1253 11.1253 12.0242 12.0242 15.2287 15.2287 15.7220 15.7220 k = 0.3457 0.5560-0.0000 ( 2212 PWs) bands (ev): -30.1460 -30.1460 -30.1377 -30.1377 -11.4431 -11.4431 -11.3635 -11.3635 -10.1887 -10.1887 -10.0801 -10.0801 -9.9810 -9.9810 -9.7620 -9.7620 -1.4161 -1.4161 -1.3095 -1.3095 8.5717 8.5717 8.6246 8.6246 8.9533 8.9533 9.2897 9.2897 9.3068 9.3068 10.1663 10.1663 11.1122 11.1122 12.0088 12.0088 15.2148 15.2148 15.8096 15.8096 k = 0.3395 0.5667-0.0000 ( 2216 PWs) bands (ev): -30.1439 -30.1439 -30.1397 -30.1397 -11.4430 -11.4430 -11.3639 -11.3639 -10.1893 -10.1893 -10.0801 -10.0801 -9.9804 -9.9804 -9.7631 -9.7631 -1.4151 -1.4151 -1.3081 -1.3081 8.5983 8.5983 8.6222 8.6222 8.9328 8.9328 9.2910 9.2910 9.3058 9.3058 10.1707 10.1707 11.1044 11.1044 11.9994 11.9994 15.2064 15.2064 15.8915 15.8915 k = 0.3333 0.5774-0.0000 ( 2220 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4429 -11.4429 -11.3640 -11.3640 -10.1895 -10.1895 -10.0801 -10.0801 -9.9802 -9.9802 -9.7635 -9.7635 -1.4147 -1.4147 -1.3076 -1.3076 8.6068 8.6068 8.6228 8.6228 8.9251 8.9251 9.2917 9.2917 9.3051 9.3051 10.1722 10.1722 11.1019 11.1019 11.9962 11.9962 15.2035 15.2035 15.9532 15.9532 k = 0.3333 0.5774-0.0000 ( 2220 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4429 -11.4429 -11.3640 -11.3640 -10.1895 -10.1895 -10.0801 -10.0801 -9.9802 -9.9802 -9.7635 -9.7635 -1.4147 -1.4147 -1.3076 -1.3076 8.6068 8.6068 8.6228 8.6228 8.9251 8.9251 9.2917 9.2917 9.3051 9.3051 10.1722 10.1722 11.1019 11.1019 11.9962 11.9962 15.2035 15.2035 15.9532 15.9532 k = 0.3270 0.5665-0.0000 ( 2220 PWs) bands (ev): -30.1440 -30.1440 -30.1396 -30.1396 -11.4430 -11.4430 -11.3639 -11.3639 -10.1893 -10.1893 -10.0801 -10.0801 -9.9804 -9.9804 -9.7631 -9.7631 -1.4151 -1.4151 -1.3081 -1.3081 8.6020 8.6020 8.6178 8.6178 8.9334 8.9334 9.2905 9.2905 9.3063 9.3063 10.1706 10.1706 11.1045 11.1045 11.9996 11.9996 15.2065 15.2065 15.8929 15.8929 k = 0.3208 0.5556-0.0000 ( 2212 PWs) bands (ev): -30.1462 -30.1462 -30.1374 -30.1374 -11.4432 -11.4432 -11.3632 -11.3632 -10.1887 -10.1887 -10.0802 -10.0802 -9.9808 -9.9808 -9.7619 -9.7619 -1.4164 -1.4164 -1.3097 -1.3097 8.5848 8.5848 8.6078 8.6078 8.9559 8.9559 9.2871 9.2871 9.3098 9.3098 10.1656 10.1656 11.1123 11.1123 12.0099 12.0099 15.2158 15.2158 15.8180 15.8180 k = 0.3145 0.5447-0.0000 ( 2204 PWs) bands (ev): -30.1486 -30.1486 -30.1352 -30.1352 -11.4437 -11.4437 -11.3622 -11.3622 -10.1877 -10.1877 -10.0805 -10.0805 -9.9813 -9.9813 -9.7598 -9.7598 -1.4185 -1.4185 -1.3123 -1.3123 8.5525 8.5525 8.6007 8.6007 8.9870 8.9870 9.2821 9.2821 9.3151 9.3151 10.1571 10.1571 11.1251 11.1251 12.0274 12.0274 15.2313 15.2313 15.7428 15.7428 k = 0.3082 0.5338-0.0000 ( 2208 PWs) bands (ev): -30.1510 -30.1510 -30.1329 -30.1329 -11.4445 -11.4445 -11.3606 -11.3606 -10.1864 -10.1864 -10.0809 -10.0809 -9.9819 -9.9819 -9.7571 -9.7571 -1.4217 -1.4217 -1.3159 -1.3159 8.5116 8.5116 8.5943 8.5943 9.0220 9.0220 9.2764 9.2764 9.3217 9.3217 10.1449 10.1449 11.1428 11.1428 12.0524 12.0524 15.2533 15.2533 15.6679 15.6679 k = 0.3019 0.5229-0.0000 ( 2204 PWs) bands (ev): -30.1534 -30.1534 -30.1307 -30.1307 -11.4454 -11.4454 -11.3584 -11.3584 -10.1848 -10.1848 -10.0815 -10.0815 -9.9823 -9.9823 -9.7536 -9.7536 -1.4258 -1.4258 -1.3207 -1.3207 8.4662 8.4662 8.5877 8.5877 9.0572 9.0572 9.2704 9.2704 9.3295 9.3295 10.1290 10.1290 11.1650 11.1650 12.0850 12.0850 15.2818 15.2818 15.5935 15.5935 k = 0.2956 0.5120-0.0000 ( 2204 PWs) bands (ev): -30.1559 -30.1559 -30.1284 -30.1284 -11.4467 -11.4467 -11.3556 -11.3556 -10.1829 -10.1829 -10.0823 -10.0823 -9.9824 -9.9824 -9.7494 -9.7494 -1.4310 -1.4310 -1.3265 -1.3265 8.4183 8.4183 8.5808 8.5808 9.0904 9.0904 9.2646 9.2646 9.3384 9.3384 10.1093 10.1093 11.1915 11.1915 12.1255 12.1255 15.3166 15.3166 15.5198 15.5198 k = 0.2893 0.5011-0.0000 ( 2204 PWs) bands (ev): -30.1585 -30.1585 -30.1262 -30.1262 -11.4482 -11.4482 -11.3523 -11.3523 -10.1808 -10.1808 -10.0834 -10.0834 -9.9820 -9.9820 -9.7447 -9.7447 -1.4373 -1.4373 -1.3334 -1.3334 8.3690 8.3690 8.5734 8.5734 9.1198 9.1198 9.2597 9.2597 9.3484 9.3484 10.0858 10.0858 11.2222 11.2222 12.1739 12.1739 15.3569 15.3569 15.4480 15.4480 k = 0.2830 0.4902-0.0000 ( 2206 PWs) bands (ev): -30.1611 -30.1611 -30.1239 -30.1239 -11.4499 -11.4499 -11.3483 -11.3483 -10.1787 -10.1787 -10.0848 -10.0848 -9.9811 -9.9811 -9.7394 -9.7394 -1.4447 -1.4447 -1.3414 -1.3414 8.3193 8.3193 8.5655 8.5655 9.1439 9.1439 9.2567 9.2567 9.3594 9.3594 10.0586 10.0586 11.2568 11.2568 12.2303 12.2303 15.3660 15.3660 15.4145 15.4145 k = 0.2767 0.4793-0.0000 ( 2206 PWs) bands (ev): -30.1638 -30.1638 -30.1217 -30.1217 -11.4517 -11.4517 -11.3437 -11.3437 -10.1764 -10.1764 -10.0863 -10.0863 -9.9795 -9.9795 -9.7337 -9.7337 -1.4532 -1.4532 -1.3505 -1.3505 8.2699 8.2699 8.5571 8.5571 9.1612 9.1612 9.2565 9.2565 9.3714 9.3714 10.0276 10.0276 11.2950 11.2950 12.2948 12.2948 15.2985 15.2985 15.4650 15.4650 k = 0.2704 0.4684-0.0000 ( 2196 PWs) bands (ev): -30.1664 -30.1664 -30.1194 -30.1194 -11.4538 -11.4538 -11.3386 -11.3386 -10.1743 -10.1743 -10.0880 -10.0880 -9.9772 -9.9772 -9.7276 -9.7276 -1.4630 -1.4630 -1.3606 -1.3606 8.2211 8.2211 8.5483 8.5483 9.1710 9.1710 9.2597 9.2597 9.3843 9.3843 9.9931 9.9931 11.3366 11.3366 12.3673 12.3673 15.2280 15.2280 15.5258 15.5258 k = 0.2642 0.4575-0.0000 ( 2192 PWs) bands (ev): -30.1692 -30.1692 -30.1172 -30.1172 -11.4559 -11.4559 -11.3328 -11.3328 -10.1723 -10.1723 -10.0896 -10.0896 -9.9741 -9.9741 -9.7211 -9.7211 -1.4740 -1.4740 -1.3717 -1.3717 8.1734 8.1734 8.5389 8.5389 9.1743 9.1743 9.2652 9.2652 9.3981 9.3981 9.9551 9.9551 11.3814 11.3814 12.4474 12.4474 15.1579 15.1579 15.5933 15.5933 k = 0.2579 0.4466-0.0000 ( 2196 PWs) bands (ev): -30.1720 -30.1720 -30.1150 -30.1150 -11.4582 -11.4582 -11.3266 -11.3266 -10.1706 -10.1706 -10.0912 -10.0912 -9.9702 -9.9702 -9.7144 -9.7144 -1.4862 -1.4862 -1.3838 -1.3838 8.1269 8.1269 8.5292 8.5292 9.1732 9.1732 9.2708 9.2708 9.4127 9.4127 9.9137 9.9137 11.4292 11.4292 12.5349 12.5349 15.0886 15.0886 15.6671 15.6671 k = 0.2516 0.4357-0.0000 ( 2196 PWs) bands (ev): -30.1748 -30.1748 -30.1128 -30.1128 -11.4605 -11.4605 -11.3198 -11.3198 -10.1693 -10.1693 -10.0924 -10.0924 -9.9655 -9.9655 -9.7073 -9.7073 -1.4997 -1.4997 -1.3968 -1.3968 8.0822 8.0822 8.5191 8.5191 9.1698 9.1698 9.2746 9.2746 9.4283 9.4283 9.8691 9.8691 11.4797 11.4797 12.6293 12.6293 15.0202 15.0202 15.7469 15.7469 k = 0.2453 0.4248-0.0000 ( 2192 PWs) bands (ev): -30.1776 -30.1776 -30.1107 -30.1107 -11.4628 -11.4628 -11.3125 -11.3125 -10.1685 -10.1685 -10.0932 -10.0932 -9.9601 -9.9601 -9.7001 -9.7001 -1.5144 -1.5144 -1.4108 -1.4108 8.0393 8.0393 8.5087 8.5087 9.1651 9.1651 9.2755 9.2755 9.4448 9.4448 9.8217 9.8217 11.5328 11.5328 12.7301 12.7301 14.9529 14.9529 15.8325 15.8325 k = 0.2390 0.4139-0.0000 ( 2196 PWs) bands (ev): -30.1805 -30.1805 -30.1085 -30.1085 -11.4651 -11.4651 -11.3048 -11.3048 -10.1684 -10.1684 -10.0935 -10.0935 -9.9539 -9.9539 -9.6927 -9.6927 -1.5304 -1.5304 -1.4255 -1.4255 7.9985 7.9985 8.4981 8.4981 9.1598 9.1598 9.2732 9.2732 9.4625 9.4625 9.7717 9.7717 11.5883 11.5883 12.8367 12.8367 14.8865 14.8865 15.9234 15.9234 k = 0.2327 0.4031-0.0000 ( 2200 PWs) bands (ev): -30.1834 -30.1834 -30.1064 -30.1064 -11.4675 -11.4675 -11.2967 -11.2967 -10.1690 -10.1690 -10.0930 -10.0930 -9.9470 -9.9470 -9.6851 -9.6851 -1.5476 -1.5476 -1.4411 -1.4411 7.9601 7.9601 8.4874 8.4874 9.1541 9.1541 9.2674 9.2674 9.4813 9.4813 9.7193 9.7193 11.6459 11.6459 12.9483 12.9483 14.8213 14.8213 16.0194 16.0194 k = 0.2264 0.3922-0.0000 ( 2196 PWs) bands (ev): -30.1863 -30.1863 -30.1044 -30.1044 -11.4697 -11.4697 -11.2881 -11.2881 -10.1702 -10.1702 -10.0919 -10.0919 -9.9394 -9.9394 -9.6774 -9.6774 -1.5661 -1.5661 -1.4575 -1.4575 7.9241 7.9241 8.4766 8.4766 9.1482 9.1482 9.2586 9.2586 9.5010 9.5010 9.6652 9.6652 11.7055 11.7055 13.0640 13.0640 14.7573 14.7573 16.1201 16.1201 k = 0.2201 0.3813-0.0000 ( 2184 PWs) bands (ev): -30.1892 -30.1892 -30.1023 -30.1023 -11.4719 -11.4719 -11.2792 -11.2792 -10.1720 -10.1720 -10.0901 -10.0901 -9.9312 -9.9312 -9.6696 -9.6696 -1.5857 -1.5857 -1.4746 -1.4746 7.8908 7.8908 8.4658 8.4658 9.1419 9.1419 9.2471 9.2471 9.5204 9.5204 9.6107 9.6107 11.7669 11.7669 13.1829 13.1829 14.6945 14.6945 16.2247 16.2247 k = 0.2138 0.3704-0.0000 ( 2192 PWs) bands (ev): -30.1921 -30.1921 -30.1004 -30.1004 -11.4741 -11.4741 -11.2700 -11.2700 -10.1743 -10.1743 -10.0877 -10.0877 -9.9224 -9.9224 -9.6617 -9.6617 -1.6065 -1.6065 -1.4924 -1.4924 7.8601 7.8601 8.4551 8.4551 9.1345 9.1345 9.2337 9.2337 9.5273 9.5273 9.5685 9.5685 11.8299 11.8299 13.3037 13.3037 14.6329 14.6329 16.3309 16.3309 k = 0.2075 0.3595-0.0000 ( 2192 PWs) bands (ev): -30.1950 -30.1950 -30.0984 -30.0984 -11.4762 -11.4762 -11.2604 -11.2604 -10.1770 -10.1770 -10.0848 -10.0848 -9.9131 -9.9131 -9.6538 -9.6538 -1.6284 -1.6284 -1.5108 -1.5108 7.8324 7.8324 8.4445 8.4445 9.1255 9.1255 9.2197 9.2197 9.4828 9.4828 9.5775 9.5775 11.8943 11.8943 13.4250 13.4250 14.5725 14.5725 16.3996 16.3996 k = 0.2013 0.3486-0.0000 ( 2192 PWs) bands (ev): -30.1979 -30.1979 -30.0965 -30.0965 -11.4782 -11.4782 -11.2506 -11.2506 -10.1799 -10.1799 -10.0814 -10.0814 -9.9032 -9.9032 -9.6459 -9.6459 -1.6513 -1.6513 -1.5299 -1.5299 7.8075 7.8075 8.4343 8.4343 9.1136 9.1136 9.2065 9.2065 9.4243 9.4243 9.6009 9.6009 11.9600 11.9600 13.5452 13.5452 14.5135 14.5135 16.3933 16.3933 k = 0.1950 0.3377-0.0000 ( 2194 PWs) bands (ev): -30.2008 -30.2008 -30.0947 -30.0947 -11.4801 -11.4801 -11.2405 -11.2405 -10.1831 -10.1831 -10.0777 -10.0777 -9.8929 -9.8929 -9.6380 -9.6380 -1.6752 -1.6752 -1.5495 -1.5495 7.7857 7.7857 8.4243 8.4243 9.0978 9.0978 9.1955 9.1955 9.3637 9.3637 9.6268 9.6268 12.0268 12.0268 13.6624 13.6624 14.4559 14.4559 16.3807 16.3807 k = 0.1887 0.3268-0.0000 ( 2192 PWs) bands (ev): -30.2037 -30.2037 -30.0929 -30.0929 -11.4820 -11.4820 -11.2302 -11.2302 -10.1863 -10.1863 -10.0737 -10.0737 -9.8821 -9.8821 -9.6301 -9.6301 -1.7000 -1.7000 -1.5696 -1.5696 7.7670 7.7670 8.4147 8.4147 9.0775 9.0775 9.1873 9.1873 9.3025 9.3025 9.6543 9.6543 12.0945 12.0945 13.7740 13.7740 14.3997 14.3997 16.3672 16.3672 k = 0.1824 0.3159-0.0000 ( 2196 PWs) bands (ev): -30.2065 -30.2065 -30.0911 -30.0911 -11.4837 -11.4837 -11.2198 -11.2198 -10.1895 -10.1895 -10.0695 -10.0695 -9.8711 -9.8711 -9.6223 -9.6223 -1.7256 -1.7256 -1.5901 -1.5901 7.7514 7.7514 8.4055 8.4055 9.0532 9.0532 9.1815 9.1815 9.2416 9.2416 9.6830 9.6830 12.1629 12.1629 13.8771 13.8771 14.3448 14.3448 16.3537 16.3537 k = 0.1761 0.3050-0.0000 ( 2196 PWs) bands (ev): -30.2093 -30.2093 -30.0894 -30.0894 -11.4854 -11.4854 -11.2092 -11.2092 -10.1927 -10.1927 -10.0651 -10.0651 -9.8596 -9.8596 -9.6144 -9.6144 -1.7519 -1.7519 -1.6111 -1.6111 7.7390 7.7390 8.3968 8.3968 9.0255 9.0255 9.1686 9.1686 9.1902 9.1902 9.7128 9.7128 12.2318 12.2318 13.9681 13.9681 14.2915 14.2915 16.3407 16.3407 k = 0.1698 0.2941-0.0000 ( 2204 PWs) bands (ev): -30.2121 -30.2121 -30.0878 -30.0878 -11.4870 -11.4870 -11.1986 -11.1986 -10.1958 -10.1958 -10.0605 -10.0605 -9.8480 -9.8480 -9.6067 -9.6067 -1.7789 -1.7788 -1.6323 -1.6323 7.7297 7.7297 8.3886 8.3886 8.9954 8.9954 9.1146 9.1146 9.1821 9.1821 9.7436 9.7436 12.3011 12.3011 14.0430 14.0430 14.2397 14.2397 16.3283 16.3283 k = 0.1635 0.2832-0.0000 ( 2212 PWs) bands (ev): -30.2149 -30.2149 -30.0862 -30.0862 -11.4885 -11.4885 -11.1879 -11.1879 -10.1988 -10.1988 -10.0559 -10.0559 -9.8361 -9.8361 -9.5990 -9.5990 -1.8063 -1.8063 -1.6539 -1.6539 7.7236 7.7236 8.3809 8.3809 8.9633 8.9633 9.0548 9.0548 9.1821 9.1821 9.7754 9.7754 12.3704 12.3704 14.0973 14.0973 14.1898 14.1898 16.2954 16.2954 k = 0.1572 0.2723-0.0000 ( 2208 PWs) bands (ev): -30.2176 -30.2176 -30.0847 -30.0847 -11.4899 -11.4899 -11.1772 -11.1772 -10.2016 -10.2016 -10.0511 -10.0511 -9.8240 -9.8240 -9.5914 -9.5914 -1.8341 -1.8341 -1.6757 -1.6757 7.7206 7.7206 8.3739 8.3739 8.9296 8.9296 8.9959 8.9959 9.1837 9.1837 9.8080 9.8080 12.4396 12.4396 14.1237 14.1237 14.1454 14.1454 16.2354 16.2354 k = 0.1509 0.2614-0.0000 ( 2196 PWs) bands (ev): -30.2202 -30.2202 -30.0832 -30.0832 -11.4912 -11.4912 -11.1665 -11.1665 -10.2043 -10.2043 -10.0462 -10.0462 -9.8119 -9.8119 -9.5839 -9.5839 -1.8623 -1.8623 -1.6976 -1.6976 7.7207 7.7207 8.3674 8.3674 8.8941 8.8941 8.9389 8.9389 9.1864 9.1864 9.8413 9.8413 12.5085 12.5085 14.0906 14.0906 14.1360 14.1360 16.1919 16.1919 k = 0.1447 0.2505-0.0000 ( 2200 PWs) bands (ev): -30.2228 -30.2228 -30.0818 -30.0818 -11.4925 -11.4925 -11.1559 -11.1559 -10.2068 -10.2068 -10.0413 -10.0413 -9.7997 -9.7997 -9.5766 -9.5766 -1.8906 -1.8906 -1.7196 -1.7196 7.7237 7.7237 8.3614 8.3614 8.8549 8.8549 8.8864 8.8864 9.1898 9.1898 9.8752 9.8752 12.5769 12.5769 14.0457 14.0457 14.1137 14.1137 16.1621 16.1621 k = 0.1384 0.2397-0.0000 ( 2200 PWs) bands (ev): -30.2253 -30.2253 -30.0805 -30.0805 -11.4937 -11.4937 -11.1455 -11.1455 -10.2092 -10.2092 -10.0364 -10.0364 -9.7875 -9.7875 -9.5693 -9.5693 -1.9190 -1.9190 -1.7416 -1.7416 7.7297 7.7297 8.3560 8.3560 8.8089 8.8089 8.8420 8.8420 9.1939 9.1939 9.9095 9.9095 12.6444 12.6444 14.0017 14.0017 14.0679 14.0679 16.1411 16.1411 k = 0.1321 0.2288-0.0000 ( 2196 PWs) bands (ev): -30.2278 -30.2278 -30.0792 -30.0792 -11.4949 -11.4949 -11.1352 -11.1352 -10.2113 -10.2113 -10.0314 -10.0314 -9.7754 -9.7754 -9.5622 -9.5622 -1.9473 -1.9473 -1.7634 -1.7634 7.7385 7.7385 8.3510 8.3510 8.7583 8.7583 8.8042 8.8042 9.1986 9.1986 9.9443 9.9443 12.7109 12.7109 13.9592 13.9592 14.0018 14.0018 16.1241 16.1241 k = 0.1258 0.2179-0.0000 ( 2192 PWs) bands (ev): -30.2302 -30.2302 -30.0779 -30.0779 -11.4960 -11.4960 -11.1251 -11.1251 -10.2133 -10.2133 -10.0264 -10.0264 -9.7634 -9.7634 -9.5552 -9.5552 -1.9754 -1.9754 -1.7851 -1.7851 7.7499 7.7499 8.3465 8.3465 8.7073 8.7073 8.7691 8.7691 9.2036 9.2036 9.9793 9.9793 12.7761 12.7761 13.9170 13.9170 13.9210 13.9210 16.1079 16.1079 k = 0.1195 0.2070-0.0000 ( 2192 PWs) bands (ev): -30.2324 -30.2324 -30.0768 -30.0768 -11.4970 -11.4970 -11.1152 -11.1152 -10.2151 -10.2151 -10.0215 -10.0215 -9.7516 -9.7516 -9.5484 -9.5484 -2.0032 -2.0032 -1.8066 -1.8066 7.7638 7.7638 8.3421 8.3421 8.6577 8.6577 8.7353 8.7353 9.2089 9.2089 10.0144 10.0144 12.8397 12.8397 13.8254 13.8254 13.8793 13.8793 16.0913 16.0913 k = 0.1132 0.1961-0.0000 ( 2192 PWs) bands (ev): -30.2347 -30.2347 -30.0757 -30.0757 -11.4980 -11.4980 -11.1056 -11.1056 -10.2167 -10.2167 -10.0166 -10.0166 -9.7400 -9.7400 -9.5417 -9.5417 -2.0306 -2.0306 -1.8276 -1.8276 7.7801 7.7801 8.3379 8.3379 8.6102 8.6102 8.7027 8.7027 9.2144 9.2144 10.0493 10.0493 12.9016 12.9016 13.7233 13.7233 13.8418 13.8418 16.0739 16.0739 k = 0.1069 0.1852-0.0000 ( 2188 PWs) bands (ev): -30.2368 -30.2368 -30.0746 -30.0746 -11.4989 -11.4989 -11.0963 -11.0963 -10.2182 -10.2182 -10.0117 -10.0117 -9.7287 -9.7287 -9.5352 -9.5352 -2.0574 -2.0574 -1.8482 -1.8482 7.7985 7.7985 8.3334 8.3334 8.5654 8.5654 8.6712 8.6712 9.2202 9.2202 10.0841 10.0841 12.9614 12.9614 13.6160 13.6160 13.8059 13.8059 16.0560 16.0560 k = 0.1006 0.1743-0.0000 ( 2188 PWs) bands (ev): -30.2388 -30.2388 -30.0736 -30.0736 -11.4998 -11.4998 -11.0873 -11.0873 -10.2195 -10.2195 -10.0069 -10.0069 -9.7178 -9.7178 -9.5289 -9.5289 -2.0835 -2.0835 -1.8683 -1.8683 7.8187 7.8187 8.3283 8.3283 8.5239 8.5239 8.6410 8.6410 9.2260 9.2260 10.1184 10.1184 13.0188 13.0188 13.5062 13.5062 13.7719 13.7719 16.0380 16.0380 k = 0.0943 0.1634-0.0000 ( 2194 PWs) bands (ev): -30.2408 -30.2408 -30.0727 -30.0727 -11.5006 -11.5006 -11.0788 -11.0788 -10.2206 -10.2206 -10.0023 -10.0023 -9.7073 -9.7073 -9.5228 -9.5228 -2.1088 -2.1088 -1.8877 -1.8877 7.8405 7.8405 8.3219 8.3219 8.4863 8.4863 8.6120 8.6120 9.2318 9.2318 10.1522 10.1522 13.0738 13.0738 13.3958 13.3958 13.7396 13.7396 16.0200 16.0200 k = 0.0881 0.1525-0.0000 ( 2194 PWs) bands (ev): -30.2426 -30.2426 -30.0719 -30.0719 -11.5014 -11.5014 -11.0706 -11.0706 -10.2217 -10.2217 -9.9977 -9.9977 -9.6973 -9.6973 -9.5169 -9.5169 -2.1332 -2.1332 -1.9064 -1.9064 7.8637 7.8637 8.3133 8.3133 8.4538 8.4538 8.5844 8.5844 9.2375 9.2375 10.1852 10.1852 13.1258 13.1258 13.2865 13.2865 13.7092 13.7092 16.0026 16.0026 k = 0.0818 0.1416-0.0000 ( 2188 PWs) bands (ev): -30.2443 -30.2443 -30.0710 -30.0710 -11.5021 -11.5021 -11.0629 -11.0629 -10.2226 -10.2226 -9.9933 -9.9933 -9.6878 -9.6878 -9.5113 -9.5113 -2.1565 -2.1565 -1.9243 -1.9243 7.8879 7.8879 8.3013 8.3013 8.4275 8.4275 8.5584 8.5584 9.2432 9.2432 10.2171 10.2171 13.1713 13.1713 13.1832 13.1832 13.6806 13.6806 15.9857 15.9857 k = 0.0755 0.1307-0.0000 ( 2188 PWs) bands (ev): -30.2460 -30.2460 -30.0703 -30.0703 -11.5028 -11.5028 -11.0557 -11.0557 -10.2234 -10.2234 -9.9891 -9.9891 -9.6789 -9.6789 -9.5059 -9.5059 -2.1786 -2.1786 -1.9413 -1.9413 7.9127 7.9127 8.2853 8.2853 8.4079 8.4079 8.5341 8.5341 9.2487 9.2487 10.2479 10.2479 13.0756 13.0756 13.2215 13.2215 13.6539 13.6539 15.9697 15.9697 k = 0.0692 0.1198-0.0000 ( 2190 PWs) bands (ev): -30.2475 -30.2475 -30.0696 -30.0696 -11.5035 -11.5035 -11.0489 -11.0489 -10.2240 -10.2240 -9.9851 -9.9851 -9.6705 -9.6705 -9.5008 -9.5008 -2.1994 -2.1994 -1.9572 -1.9572 7.9378 7.9378 8.2658 8.2658 8.3945 8.3945 8.5115 8.5115 9.2540 9.2540 10.2773 10.2773 12.9768 12.9768 13.2641 13.2641 13.6292 13.6292 15.9546 15.9546 k = 0.0629 0.1089-0.0000 ( 2194 PWs) bands (ev): -30.2488 -30.2488 -30.0690 -30.0690 -11.5041 -11.5041 -11.0427 -11.0427 -10.2246 -10.2246 -9.9814 -9.9814 -9.6628 -9.6628 -9.4959 -9.4959 -2.2188 -2.2188 -1.9721 -1.9721 7.9628 7.9628 8.2445 8.2445 8.3857 8.3857 8.4908 8.4908 9.2589 9.2589 10.3050 10.3050 12.8833 12.8833 13.3033 13.3033 13.6065 13.6065 15.9406 15.9406 k = 0.0566 0.0980-0.0000 ( 2192 PWs) bands (ev): -30.2501 -30.2501 -30.0684 -30.0684 -11.5046 -11.5046 -11.0370 -11.0370 -10.2251 -10.2251 -9.9779 -9.9779 -9.6558 -9.6558 -9.4915 -9.4915 -2.2367 -2.2367 -1.9858 -1.9858 7.9873 7.9873 8.2228 8.2228 8.3799 8.3799 8.4721 8.4721 9.2636 9.2636 10.3309 10.3309 12.7960 12.7960 13.3389 13.3389 13.5859 13.5859 15.9278 15.9278 k = 0.0503 0.0871-0.0000 ( 2190 PWs) bands (ev): -30.2512 -30.2512 -30.0679 -30.0679 -11.5051 -11.5051 -11.0318 -11.0318 -10.2255 -10.2255 -9.9746 -9.9746 -9.6494 -9.6494 -9.4874 -9.4874 -2.2529 -2.2529 -1.9983 -1.9983 8.0109 8.0109 8.2020 8.2020 8.3757 8.3757 8.4557 8.4557 9.2679 9.2679 10.3547 10.3547 12.7158 12.7158 13.3708 13.3708 13.5674 13.5674 15.9161 15.9161 k = 0.0440 0.0763-0.0000 ( 2190 PWs) bands (ev): -30.2522 -30.2522 -30.0675 -30.0675 -11.5055 -11.5055 -11.0272 -11.0272 -10.2259 -10.2259 -9.9717 -9.9717 -9.6438 -9.6438 -9.4836 -9.4836 -2.2675 -2.2675 -2.0095 -2.0095 8.0330 8.0330 8.1828 8.1828 8.3724 8.3724 8.4416 8.4416 9.2718 9.2718 10.3763 10.3763 12.6431 12.6431 13.3988 13.3988 13.5511 13.5511 15.9057 15.9057 k = 0.0377 0.0654-0.0000 ( 2194 PWs) bands (ev): -30.2531 -30.2531 -30.0671 -30.0671 -11.5059 -11.5059 -11.0232 -11.0232 -10.2262 -10.2262 -9.9692 -9.9692 -9.6389 -9.6389 -9.4803 -9.4803 -2.2803 -2.2803 -2.0193 -2.0193 8.0533 8.0533 8.1657 8.1657 8.3693 8.3693 8.4300 8.4300 9.2753 9.2753 10.3955 10.3955 12.5787 12.5787 13.4227 13.4227 13.5372 13.5372 15.8966 15.8966 k = 0.0314 0.0545-0.0000 ( 2194 PWs) bands (ev): -30.2539 -30.2539 -30.0668 -30.0668 -11.5062 -11.5062 -11.0198 -11.0198 -10.2264 -10.2264 -9.9670 -9.9670 -9.6347 -9.6347 -9.4775 -9.4775 -2.2913 -2.2913 -2.0278 -2.0278 8.0714 8.0714 8.1509 8.1509 8.3662 8.3662 8.4209 8.4209 9.2782 9.2782 10.4120 10.4120 12.5232 12.5232 13.4425 13.4425 13.5260 13.5260 15.8889 15.8889 k = 0.0252 0.0436-0.0000 ( 2193 PWs) bands (ev): -30.2545 -30.2545 -30.0665 -30.0665 -11.5065 -11.5065 -11.0170 -11.0170 -10.2266 -10.2266 -9.9651 -9.9651 -9.6313 -9.6313 -9.4751 -9.4751 -2.3004 -2.3004 -2.0347 -2.0347 8.0868 8.0868 8.1387 8.1387 8.3630 8.3630 8.4142 8.4142 9.2807 9.2807 10.4258 10.4258 12.4770 12.4770 13.4578 13.4578 13.5176 13.5176 15.8825 15.8825 k = 0.0189 0.0327-0.0000 ( 2193 PWs) bands (ev): -30.2550 -30.2550 -30.0663 -30.0663 -11.5067 -11.5067 -11.0148 -11.0148 -10.2268 -10.2268 -9.9637 -9.9637 -9.6286 -9.6286 -9.4732 -9.4732 -2.3075 -2.3075 -2.0402 -2.0402 8.0991 8.0991 8.1291 8.1291 8.3600 8.3600 8.4096 8.4096 9.2826 9.2826 10.4367 10.4367 12.4406 12.4406 13.4681 13.4681 13.5126 13.5126 15.8775 15.8775 k = 0.0126 0.0218-0.0000 ( 2185 PWs) bands (ev): -30.2553 -30.2553 -30.0662 -30.0662 -11.5069 -11.5069 -11.0132 -11.0132 -10.2269 -10.2269 -9.9626 -9.9626 -9.6267 -9.6267 -9.4719 -9.4719 -2.3125 -2.3125 -2.0441 -2.0441 8.1080 8.1080 8.1226 8.1226 8.3575 8.3575 8.4067 8.4067 9.2841 9.2841 10.4445 10.4445 12.4143 12.4143 13.4736 13.4736 13.5110 13.5110 15.8740 15.8740 k = 0.0063 0.0109-0.0000 ( 2189 PWs) bands (ev): -30.2555 -30.2555 -30.0661 -30.0661 -11.5070 -11.5070 -11.0123 -11.0123 -10.2269 -10.2269 -9.9620 -9.9620 -9.6255 -9.6255 -9.4711 -9.4711 -2.3156 -2.3156 -2.0464 -2.0464 8.1124 8.1124 8.1195 8.1195 8.3558 8.3558 8.4051 8.4051 9.2849 9.2849 10.4492 10.4492 12.3984 12.3984 13.4755 13.4755 13.5112 13.5112 15.8719 15.8719 k = 0.0000 0.0000 0.0000 ( 2197 PWs) bands (ev): -30.2556 -30.2556 -30.0661 -30.0661 -11.5070 -11.5070 -11.0120 -11.0120 -10.2269 -10.2269 -9.9618 -9.9618 -9.6252 -9.6252 -9.4708 -9.4708 -2.3166 -2.3166 -2.0472 -2.0472 8.1130 8.1130 8.1193 8.1193 8.3552 8.3552 8.4046 8.4046 9.2852 9.2852 10.4508 10.4508 12.3931 12.3931 13.4759 13.4759 13.5115 13.5115 15.8711 15.8711 k = 0.0000 0.0000 0.0000 ( 2197 PWs) bands (ev): -30.2556 -30.2556 -30.0661 -30.0661 -11.5070 -11.5070 -11.0120 -11.0120 -10.2269 -10.2269 -9.9618 -9.9618 -9.6252 -9.6252 -9.4708 -9.4708 -2.3166 -2.3166 -2.0472 -2.0472 8.1130 8.1130 8.1193 8.1193 8.3552 8.3552 8.4046 8.4046 9.2852 9.2852 10.4508 10.4508 12.3931 12.3931 13.4759 13.4759 13.5115 13.5115 15.8711 15.8711 k = 0.0000 0.0000 0.0125 ( 2197 PWs) bands (ev): -30.2555 -30.2555 -30.0662 -30.0662 -11.5068 -11.5068 -11.0123 -11.0123 -10.2267 -10.2267 -9.9616 -9.9616 -9.6254 -9.6254 -9.4715 -9.4715 -2.3152 -2.3152 -2.0462 -2.0462 8.1124 8.1124 8.1187 8.1187 8.3545 8.3545 8.4038 8.4038 9.2816 9.2816 10.4420 10.4420 12.3955 12.3955 13.4794 13.4794 13.5150 13.5150 15.8816 15.8816 k = 0.0000 0.0000 0.0251 ( 2185 PWs) bands (ev): -30.2551 -30.2551 -30.0665 -30.0665 -11.5061 -11.5061 -11.0132 -11.0132 -10.2260 -10.2260 -9.9610 -9.9610 -9.6259 -9.6259 -9.4737 -9.4737 -2.3107 -2.3107 -2.0431 -2.0431 8.1107 8.1107 8.1169 8.1169 8.3522 8.3522 8.4014 8.4014 9.2708 9.2708 10.4158 10.4158 12.4025 12.4025 13.4898 13.4898 13.5254 13.5254 15.9129 15.9129 k = 0.0000 0.0000 0.0376 ( 2185 PWs) bands (ev): -30.2546 -30.2546 -30.0670 -30.0670 -11.5049 -11.5049 -11.0148 -11.0148 -10.2248 -10.2248 -9.9601 -9.9601 -9.6269 -9.6269 -9.4773 -9.4773 -2.3033 -2.3033 -2.0379 -2.0379 8.1077 8.1077 8.1138 8.1138 8.3485 8.3485 8.3975 8.3975 9.2529 9.2529 10.3732 10.3732 12.4139 12.4139 13.5070 13.5070 13.5427 13.5427 15.9642 15.9642 k = 0.0000 0.0000 0.0502 ( 2185 PWs) bands (ev): -30.2539 -30.2539 -30.0678 -30.0678 -11.5034 -11.5034 -11.0169 -11.0169 -10.2231 -10.2231 -9.9588 -9.9588 -9.6282 -9.6282 -9.4823 -9.4823 -2.2930 -2.2930 -2.0308 -2.0308 8.1037 8.1037 8.1096 8.1096 8.3433 8.3433 8.3920 8.3920 9.2282 9.2282 10.3154 10.3154 12.4293 12.4293 13.5310 13.5310 13.5668 13.5668 16.0347 16.0347 k = 0.0000 0.0000 0.0627 ( 2185 PWs) bands (ev): -30.2529 -30.2529 -30.0687 -30.0687 -11.5013 -11.5013 -11.0197 -11.0197 -10.2209 -10.2209 -9.9571 -9.9571 -9.6299 -9.6299 -9.4887 -9.4887 -2.2800 -2.2800 -2.0217 -2.0217 8.0986 8.0986 8.1044 8.1044 8.3367 8.3367 8.3851 8.3851 9.1970 9.1970 10.2442 10.2442 12.4481 12.4481 13.5616 13.5616 13.5975 13.5975 16.1231 16.1231 k = 0.0000 0.0000 0.0752 ( 2185 PWs) bands (ev): -30.2518 -30.2518 -30.0699 -30.0699 -11.4988 -11.4988 -11.0230 -11.0230 -10.2182 -10.2182 -9.9550 -9.9550 -9.6320 -9.6320 -9.4964 -9.4964 -2.2642 -2.2642 -2.0107 -2.0107 8.0925 8.0925 8.0981 8.0981 8.3287 8.3287 8.3767 8.3767 9.1597 9.1597 10.1613 10.1613 12.4702 12.4702 13.5989 13.5989 13.6349 13.6349 16.2279 16.2279 k = 0.0000 0.0000 0.0878 ( 2185 PWs) bands (ev): -30.2504 -30.2504 -30.0713 -30.0713 -11.4959 -11.4959 -11.0270 -11.0270 -10.2150 -10.2150 -9.9526 -9.9526 -9.6344 -9.6344 -9.5054 -9.5054 -2.2459 -2.2459 -1.9980 -1.9980 8.0856 8.0856 8.0909 8.0909 8.3195 8.3195 8.3669 8.3669 9.1165 9.1165 10.0685 10.0685 12.4950 12.4950 13.6425 13.6425 13.6787 13.6787 16.3477 16.3477 k = 0.0000 0.0000 0.1003 ( 2197 PWs) bands (ev): -30.2488 -30.2488 -30.0729 -30.0729 -11.4925 -11.4925 -11.0316 -11.0316 -10.2114 -10.2114 -9.9498 -9.9498 -9.6372 -9.6372 -9.5156 -9.5156 -2.2252 -2.2252 -1.9835 -1.9835 8.0779 8.0779 8.0828 8.0828 8.3090 8.3090 8.3559 8.3559 9.0682 9.0682 9.9678 9.9678 12.5223 12.5223 13.6924 13.6924 13.7288 13.7288 16.4806 16.4806 k = 0.0000 0.0000 0.1128 ( 2185 PWs) bands (ev): -30.2471 -30.2471 -30.0746 -30.0746 -11.4886 -11.4886 -11.0367 -11.0367 -10.2072 -10.2072 -9.9466 -9.9466 -9.6404 -9.6404 -9.5270 -9.5270 -2.2022 -2.2022 -1.9674 -1.9674 8.0696 8.0696 8.0742 8.0742 8.2974 8.2974 8.3437 8.3437 9.0152 9.0152 9.8608 9.8608 12.5520 12.5520 13.7483 13.7483 13.7850 13.7850 16.4944 16.4944 k = 0.0000 0.0000 0.1254 ( 2197 PWs) bands (ev): -30.2451 -30.2451 -30.0766 -30.0766 -11.4843 -11.4843 -11.0424 -11.0424 -10.2025 -10.2025 -9.9431 -9.9431 -9.6439 -9.6439 -9.5395 -9.5395 -2.1771 -2.1771 -1.9499 -1.9499 8.0608 8.0608 8.0650 8.0650 8.2847 8.2847 8.3304 8.3304 8.9579 8.9579 9.7488 9.7488 12.5838 12.5838 13.8101 13.8101 13.8470 13.8470 16.3840 16.3840 k = 0.0000 0.0000 0.1379 ( 2185 PWs) bands (ev): -30.2430 -30.2430 -30.0788 -30.0788 -11.4796 -11.4796 -11.0486 -11.0486 -10.1973 -10.1973 -9.9393 -9.9393 -9.6477 -9.6477 -9.5530 -9.5530 -2.1501 -2.1501 -1.9311 -1.9311 8.0516 8.0516 8.0554 8.0554 8.2712 8.2712 8.3162 8.3162 8.8973 8.8973 9.6336 9.6336 12.6179 12.6179 13.8775 13.8775 13.9147 13.9147 16.2704 16.2704 k = 0.0000 0.0000 0.1505 ( 2167 PWs) bands (ev): -30.2406 -30.2406 -30.0811 -30.0811 -11.4744 -11.4744 -11.0553 -11.0553 -10.1916 -10.1916 -9.9351 -9.9351 -9.6519 -9.6519 -9.5674 -9.5674 -2.1215 -2.1215 -1.9111 -1.9111 8.0422 8.0422 8.0455 8.0455 8.2568 8.2568 8.3010 8.3010 8.8339 8.8339 9.5165 9.5165 12.6540 12.6540 13.9504 13.9504 13.9879 13.9879 16.1550 16.1550 k = 0.0000 0.0000 0.1630 ( 2173 PWs) bands (ev): -30.2381 -30.2381 -30.0837 -30.0837 -11.4688 -11.4688 -11.0626 -11.0626 -10.1854 -10.1854 -9.9306 -9.9306 -9.6564 -9.6564 -9.5827 -9.5827 -2.0914 -2.0914 -1.8901 -1.8901 8.0327 8.0327 8.0355 8.0355 8.2416 8.2416 8.2851 8.2851 8.7680 8.7680 9.3984 9.3984 12.6923 12.6923 14.0284 14.0284 14.0662 14.0662 16.0385 16.0385 k = 0.0000 0.0000 0.1755 ( 2173 PWs) bands (ev): -30.2354 -30.2354 -30.0864 -30.0864 -11.4627 -11.4627 -11.0704 -11.0704 -10.1786 -10.1786 -9.9258 -9.9258 -9.6612 -9.6612 -9.5987 -9.5987 -2.0601 -2.0601 -1.8682 -1.8682 8.0232 8.0232 8.0254 8.0254 8.2257 8.2257 8.2685 8.2685 8.7005 8.7005 9.2803 9.2803 12.7328 12.7328 14.1112 14.1112 14.1494 14.1494 15.9216 15.9216 k = 0.0000 0.0000 0.1881 ( 2173 PWs) bands (ev): -30.2325 -30.2325 -30.0893 -30.0893 -11.4562 -11.4562 -11.0786 -11.0786 -10.1714 -10.1714 -9.9207 -9.9207 -9.6663 -9.6663 -9.6154 -9.6154 -2.0279 -2.0279 -1.8458 -1.8458 8.0139 8.0139 8.0155 8.0155 8.2093 8.2093 8.2514 8.2514 8.6322 8.6322 9.1632 9.1632 12.7754 12.7754 14.1987 14.1987 14.2373 14.2373 15.8047 15.8047 k = 0.0000 0.0000 0.2006 ( 2173 PWs) bands (ev): -30.2295 -30.2295 -30.0923 -30.0923 -11.4493 -11.4493 -11.0873 -11.0873 -10.1636 -10.1636 -9.9154 -9.9154 -9.6717 -9.6717 -9.6328 -9.6328 -1.9950 -1.9950 -1.8229 -1.8229 8.0048 8.0048 8.0058 8.0058 8.1925 8.1925 8.2339 8.2339 8.5635 8.5635 9.0480 9.0480 12.8202 12.8202 14.2905 14.2905 14.3295 14.3295 15.6882 15.6882 k = 0.0000 0.0000 0.2131 ( 2173 PWs) bands (ev): -30.2263 -30.2263 -30.0955 -30.0955 -11.4420 -11.4420 -11.0965 -11.0965 -10.1552 -10.1552 -9.9097 -9.9097 -9.6773 -9.6773 -9.6506 -9.6506 -1.9618 -1.9618 -1.7999 -1.7999 7.9962 7.9962 7.9965 7.9965 8.1753 8.1753 8.2161 8.2161 8.4953 8.4953 8.9354 8.9354 12.8672 12.8672 14.3864 14.3864 14.4257 14.4257 15.5724 15.5724 k = 0.0000 0.0000 0.2257 ( 2173 PWs) bands (ev): -30.2230 -30.2230 -30.0988 -30.0988 -11.4342 -11.4342 -11.1060 -11.1060 -10.1463 -10.1463 -9.9038 -9.9038 -9.6833 -9.6833 -9.6689 -9.6689 -1.9283 -1.9283 -1.7768 -1.7768 7.9877 7.9877 7.9881 7.9881 8.1577 8.1577 8.1981 8.1981 8.4282 8.4282 8.8261 8.8261 12.9165 12.9165 14.4859 14.4859 14.5257 14.5257 15.4575 15.4575 k = 0.0000 0.0000 0.2382 ( 2161 PWs) bands (ev): -30.2195 -30.2195 -30.1023 -30.1023 -11.4260 -11.4260 -11.1159 -11.1159 -10.1369 -10.1369 -9.8976 -9.8976 -9.6895 -9.6895 -9.6876 -9.6876 -1.8951 -1.8951 -1.7540 -1.7540 7.9795 7.9795 7.9806 7.9806 8.1399 8.1399 8.1801 8.1801 8.3629 8.3629 8.7206 8.7206 12.9681 12.9681 14.5890 14.5890 14.6292 14.6292 15.3438 15.3438 k = 0.0000 0.0000 0.2508 ( 2155 PWs) bands (ev): -30.2159 -30.2159 -30.1059 -30.1059 -11.4175 -11.4175 -11.1262 -11.1262 -10.1269 -10.1269 -9.8912 -9.8912 -9.7065 -9.7065 -9.6959 -9.6959 -1.8622 -1.8622 -1.7317 -1.7317 7.9720 7.9720 7.9738 7.9738 8.1218 8.1218 8.1621 8.1621 8.3001 8.3001 8.6196 8.6196 13.0220 13.0220 14.6951 14.6951 14.7357 14.7357 15.2314 15.2314 k = 0.0000 0.0000 0.2633 ( 2161 PWs) bands (ev): -30.2122 -30.2122 -30.1097 -30.1097 -11.4086 -11.4086 -11.1368 -11.1368 -10.1164 -10.1164 -9.8846 -9.8846 -9.7257 -9.7257 -9.7025 -9.7025 -1.8301 -1.8301 -1.7101 -1.7101 7.9652 7.9652 7.9678 7.9678 8.1031 8.1031 8.1443 8.1443 8.2408 8.2408 8.5234 8.5234 13.0782 13.0782 14.8038 14.8038 14.8449 14.8449 15.1205 15.1205 k = 0.0000 0.0000 0.2758 ( 2161 PWs) bands (ev): -30.2084 -30.2084 -30.1136 -30.1136 -11.3993 -11.3993 -11.1477 -11.1477 -10.1054 -10.1054 -9.8777 -9.8777 -9.7449 -9.7449 -9.7094 -9.7094 -1.7990 -1.7990 -1.6894 -1.6894 7.9593 7.9593 7.9628 7.9628 8.0833 8.0833 8.1268 8.1268 8.1862 8.1862 8.4327 8.4327 13.1368 13.1368 14.9149 14.9149 14.9565 14.9565 15.0112 15.0112 k = 0.0000 0.0000 0.2884 ( 2161 PWs) bands (ev): -30.2044 -30.2044 -30.1175 -30.1175 -11.3897 -11.3897 -11.1589 -11.1589 -10.0938 -10.0938 -9.8707 -9.8707 -9.7643 -9.7643 -9.7164 -9.7164 -1.7691 -1.7691 -1.6700 -1.6700 7.9543 7.9543 7.9587 7.9587 8.0610 8.0610 8.1097 8.1097 8.1382 8.1382 8.3477 8.3477 13.1978 13.1978 14.9036 14.9036 15.0279 15.0279 15.0699 15.0699 k = 0.0000 0.0000 0.3009 ( 2161 PWs) bands (ev): -30.2004 -30.2004 -30.1216 -30.1216 -11.3797 -11.3797 -11.1704 -11.1704 -10.0816 -10.0816 -9.8635 -9.8635 -9.7836 -9.7836 -9.7236 -9.7236 -1.7408 -1.7408 -1.6520 -1.6520 7.9503 7.9503 7.9556 7.9556 8.0341 8.0341 8.0931 8.0931 8.0997 8.0997 8.2689 8.2689 13.2611 13.2611 14.7978 14.7978 15.1424 15.1424 15.1848 15.1848 k = 0.0000 0.0000 0.3134 ( 2179 PWs) bands (ev): -30.1962 -30.1962 -30.1258 -30.1258 -11.3695 -11.3695 -11.1820 -11.1820 -10.0690 -10.0690 -9.8562 -9.8562 -9.8029 -9.8029 -9.7310 -9.7310 -1.7142 -1.7142 -1.6357 -1.6357 7.9474 7.9474 7.9536 7.9536 8.0021 8.0021 8.0714 8.0714 8.0771 8.0771 8.1966 8.1966 13.3268 13.3268 14.6939 14.6939 15.2579 15.2579 15.3008 15.3008 k = 0.0000 0.0000 0.3260 ( 2179 PWs) bands (ev): -30.1920 -30.1920 -30.1300 -30.1300 -11.3589 -11.3589 -11.1938 -11.1938 -10.0558 -10.0558 -9.8487 -9.8487 -9.8220 -9.8220 -9.7385 -9.7385 -1.6896 -1.6896 -1.6212 -1.6212 7.9455 7.9455 7.9527 7.9527 7.9689 7.9689 8.0505 8.0505 8.0618 8.0618 8.1312 8.1312 13.3948 13.3948 14.5919 14.5919 15.3740 15.3740 15.4173 15.4173 k = 0.0000 0.0000 0.3385 ( 2180 PWs) bands (ev): -30.1877 -30.1877 -30.1343 -30.1343 -11.3480 -11.3480 -11.2057 -11.2057 -10.0420 -10.0420 -9.8410 -9.8410 -9.8410 -9.8410 -9.7461 -9.7461 -1.6673 -1.6673 -1.6089 -1.6089 7.9381 7.9381 7.9446 7.9446 7.9530 7.9530 8.0335 8.0335 8.0472 8.0472 8.0728 8.0728 13.4653 13.4653 14.4920 14.4920 15.4901 15.4901 15.5338 15.5338 k = 0.0000 0.0000 0.3511 ( 2174 PWs) bands (ev): -30.1833 -30.1833 -30.1387 -30.1387 -11.3369 -11.3369 -11.2178 -11.2178 -10.0277 -10.0277 -9.8598 -9.8598 -9.8333 -9.8333 -9.7539 -9.7539 -1.6473 -1.6473 -1.5988 -1.5988 7.9119 7.9119 7.9447 7.9447 7.9544 7.9544 8.0189 8.0189 8.0220 8.0220 8.0335 8.0335 13.5381 13.5381 14.3942 14.3942 15.6056 15.6056 15.6497 15.6497 k = 0.0000 0.0000 0.3636 ( 2174 PWs) bands (ev): -30.1789 -30.1789 -30.1431 -30.1431 -11.3256 -11.3256 -11.2299 -11.2299 -10.0130 -10.0130 -9.8783 -9.8783 -9.8255 -9.8255 -9.7617 -9.7617 -1.6298 -1.6298 -1.5912 -1.5912 7.8913 7.8913 7.9449 7.9449 7.9571 7.9571 7.9795 7.9795 8.0060 8.0060 8.0207 8.0207 13.6133 13.6133 14.2984 14.2984 15.7200 15.7200 15.7644 15.7644 k = 0.0000 0.0000 0.3761 ( 2174 PWs) bands (ev): -30.1745 -30.1745 -30.1475 -30.1475 -11.3140 -11.3140 -11.2420 -11.2420 -9.9977 -9.9977 -9.8965 -9.8965 -9.8175 -9.8175 -9.7696 -9.7696 -1.6151 -1.6151 -1.5862 -1.5862 7.8770 7.8770 7.9348 7.9348 7.9560 7.9560 7.9610 7.9610 7.9945 7.9945 8.0089 8.0089 13.6909 13.6909 14.2049 14.2049 15.8326 15.8326 15.8773 15.8773 k = 0.0000 0.0000 0.3887 ( 2174 PWs) bands (ev): -30.1700 -30.1700 -30.1520 -30.1520 -11.3023 -11.3023 -11.2542 -11.2542 -9.9819 -9.9819 -9.9144 -9.9144 -9.8096 -9.8096 -9.7776 -9.7776 -1.6031 -1.6031 -1.5838 -1.5838 7.8693 7.8693 7.9094 7.9094 7.9566 7.9566 7.9660 7.9660 7.9842 7.9842 7.9981 7.9981 13.7708 13.7708 14.1135 14.1135 15.9426 15.9426 15.9877 15.9877 k = 0.0000 0.0000 0.4012 ( 2162 PWs) bands (ev): -30.1655 -30.1655 -30.1565 -30.1565 -11.2904 -11.2904 -11.2663 -11.2663 -9.9657 -9.9657 -9.9319 -9.9319 -9.8016 -9.8016 -9.7856 -9.7856 -1.5939 -1.5939 -1.5843 -1.5843 7.8686 7.8686 7.8887 7.8887 7.9613 7.9613 7.9723 7.9723 7.9753 7.9753 7.9884 7.9884 13.8530 13.8530 14.0244 14.0244 16.0495 16.0495 16.0949 16.0949 k = 0.0000 0.0000 0.4137 ( 2156 PWs) bands (ev): -30.1610 -30.1610 -30.1610 -30.1610 -11.2784 -11.2784 -11.2784 -11.2784 -9.9490 -9.9490 -9.9490 -9.9490 -9.7936 -9.7936 -9.7936 -9.7936 -1.5877 -1.5877 -1.5877 -1.5877 7.8750 7.8750 7.8750 7.8750 7.9676 7.9676 7.9676 7.9676 7.9798 7.9798 7.9798 7.9798 13.9376 13.9376 13.9376 13.9376 16.1523 16.1523 16.1523 16.1523 k = 0.0000 0.0000 0.4137 ( 2156 PWs) bands (ev): -30.1610 -30.1610 -30.1610 -30.1610 -11.2784 -11.2784 -11.2784 -11.2784 -9.9490 -9.9490 -9.9490 -9.9490 -9.7936 -9.7936 -9.7936 -9.7936 -1.5877 -1.5877 -1.5877 -1.5877 7.8750 7.8750 7.8750 7.8750 7.9676 7.9676 7.9676 7.9676 7.9798 7.9798 7.9798 7.9798 13.9376 13.9376 13.9376 13.9376 16.1523 16.1523 16.1523 16.1523 k = 0.0109 0.0063 0.4137 ( 2160 PWs) bands (ev): -30.1610 -30.1610 -30.1610 -30.1610 -11.2787 -11.2787 -11.2787 -11.2787 -9.9497 -9.9497 -9.9497 -9.9497 -9.7930 -9.7930 -9.7930 -9.7930 -1.5869 -1.5869 -1.5869 -1.5869 7.8667 7.8667 7.8667 7.8667 7.9706 7.9706 7.9706 7.9706 7.9853 7.9853 7.9853 7.9853 13.9411 13.9411 13.9411 13.9411 16.1519 16.1519 16.1519 16.1519 k = 0.0217 0.0126 0.4137 ( 2164 PWs) bands (ev): -30.1609 -30.1609 -30.1609 -30.1609 -11.2795 -11.2795 -11.2795 -11.2795 -9.9519 -9.9519 -9.9519 -9.9519 -9.7915 -9.7915 -9.7915 -9.7915 -1.5844 -1.5844 -1.5844 -1.5844 7.8464 7.8464 7.8464 7.8464 7.9758 7.9758 7.9758 7.9758 8.0011 8.0011 8.0011 8.0011 13.9517 13.9517 13.9517 13.9517 16.1509 16.1509 16.1509 16.1509 k = 0.0326 0.0188 0.4137 ( 2166 PWs) bands (ev): -30.1608 -30.1608 -30.1608 -30.1608 -11.2808 -11.2808 -11.2808 -11.2808 -9.9553 -9.9553 -9.9553 -9.9553 -9.7890 -9.7890 -9.7890 -9.7890 -1.5804 -1.5804 -1.5804 -1.5804 7.8203 7.8203 7.8203 7.8203 7.9823 7.9823 7.9823 7.9823 8.0216 8.0216 8.0216 8.0216 13.9692 13.9692 13.9692 13.9692 16.1488 16.1488 16.1488 16.1488 k = 0.0435 0.0251 0.4137 ( 2166 PWs) bands (ev): -30.1607 -30.1607 -30.1607 -30.1607 -11.2827 -11.2827 -11.2827 -11.2827 -9.9600 -9.9600 -9.9600 -9.9600 -9.7856 -9.7856 -9.7856 -9.7856 -1.5748 -1.5748 -1.5748 -1.5748 7.7914 7.7914 7.7914 7.7914 7.9909 7.9909 7.9909 7.9909 8.0435 8.0435 8.0435 8.0435 13.9936 13.9936 13.9936 13.9936 16.1454 16.1454 16.1454 16.1454 k = 0.0543 0.0314 0.4137 ( 2166 PWs) bands (ev): -30.1605 -30.1605 -30.1605 -30.1605 -11.2850 -11.2850 -11.2850 -11.2850 -9.9656 -9.9656 -9.9656 -9.9656 -9.7816 -9.7816 -9.7816 -9.7816 -1.5676 -1.5676 -1.5676 -1.5676 7.7609 7.7609 7.7609 7.7609 8.0018 8.0018 8.0018 8.0018 8.0652 8.0652 8.0652 8.0652 14.0246 14.0246 14.0246 14.0246 16.1401 16.1401 16.1401 16.1401 k = 0.0652 0.0377 0.4137 ( 2164 PWs) bands (ev): -30.1603 -30.1603 -30.1603 -30.1603 -11.2879 -11.2879 -11.2879 -11.2879 -9.9721 -9.9721 -9.9721 -9.9721 -9.7771 -9.7771 -9.7771 -9.7771 -1.5589 -1.5589 -1.5589 -1.5589 7.7295 7.7295 7.7295 7.7295 8.0149 8.0149 8.0149 8.0149 8.0863 8.0863 8.0863 8.0863 14.0619 14.0619 14.0619 14.0619 16.1329 16.1329 16.1329 16.1329 k = 0.0761 0.0439 0.4137 ( 2170 PWs) bands (ev): -30.1600 -30.1600 -30.1600 -30.1600 -11.2912 -11.2912 -11.2912 -11.2912 -9.9794 -9.9794 -9.9794 -9.9794 -9.7722 -9.7722 -9.7722 -9.7722 -1.5488 -1.5488 -1.5488 -1.5488 7.6976 7.6976 7.6976 7.6976 8.0303 8.0303 8.0303 8.0303 8.1064 8.1064 8.1064 8.1064 14.1053 14.1053 14.1053 14.1053 16.1235 16.1235 16.1235 16.1235 k = 0.0870 0.0502 0.4137 ( 2166 PWs) bands (ev): -30.1597 -30.1597 -30.1597 -30.1597 -11.2950 -11.2950 -11.2950 -11.2950 -9.9872 -9.9872 -9.9872 -9.9872 -9.7670 -9.7670 -9.7670 -9.7670 -1.5372 -1.5372 -1.5372 -1.5372 7.6653 7.6653 7.6653 7.6653 8.0479 8.0479 8.0479 8.0479 8.1255 8.1255 8.1255 8.1255 14.1542 14.1542 14.1542 14.1542 16.1121 16.1121 16.1121 16.1121 k = 0.0978 0.0565 0.4137 ( 2170 PWs) bands (ev): -30.1594 -30.1594 -30.1594 -30.1594 -11.2993 -11.2993 -11.2993 -11.2993 -9.9956 -9.9956 -9.9956 -9.9956 -9.7617 -9.7617 -9.7617 -9.7617 -1.5243 -1.5243 -1.5243 -1.5243 7.6331 7.6331 7.6331 7.6331 8.0677 8.0677 8.0677 8.0677 8.1434 8.1434 8.1434 8.1434 14.2083 14.2083 14.2083 14.2083 16.0988 16.0988 16.0988 16.0988 k = 0.1087 0.0628 0.4137 ( 2166 PWs) bands (ev): -30.1590 -30.1590 -30.1590 -30.1590 -11.3041 -11.3041 -11.3041 -11.3041 -10.0042 -10.0042 -10.0042 -10.0042 -9.7563 -9.7563 -9.7563 -9.7563 -1.5101 -1.5101 -1.5101 -1.5101 7.6010 7.6010 7.6010 7.6010 8.0896 8.0896 8.0896 8.0896 8.1602 8.1602 8.1602 8.1602 14.2669 14.2669 14.2669 14.2669 16.0839 16.0839 16.0839 16.0839 k = 0.1196 0.0690 0.4137 ( 2162 PWs) bands (ev): -30.1586 -30.1586 -30.1586 -30.1586 -11.3092 -11.3092 -11.3092 -11.3092 -10.0132 -10.0132 -10.0132 -10.0132 -9.7508 -9.7508 -9.7508 -9.7508 -1.4947 -1.4947 -1.4947 -1.4947 7.5693 7.5693 7.5693 7.5693 8.1135 8.1135 8.1135 8.1135 8.1760 8.1760 8.1760 8.1760 14.3293 14.3293 14.3293 14.3293 16.0675 16.0675 16.0675 16.0675 k = 0.1304 0.0753 0.4137 ( 2162 PWs) bands (ev): -30.1581 -30.1581 -30.1581 -30.1581 -11.3148 -11.3148 -11.3148 -11.3148 -10.0224 -10.0224 -10.0224 -10.0224 -9.7453 -9.7453 -9.7453 -9.7453 -1.4782 -1.4782 -1.4782 -1.4782 7.5380 7.5380 7.5380 7.5380 8.1392 8.1392 8.1392 8.1392 8.1908 8.1908 8.1908 8.1908 14.3946 14.3946 14.3946 14.3946 16.0497 16.0497 16.0497 16.0497 k = 0.1413 0.0816 0.4137 ( 2164 PWs) bands (ev): -30.1577 -30.1577 -30.1577 -30.1577 -11.3207 -11.3207 -11.3207 -11.3207 -10.0317 -10.0317 -10.0317 -10.0317 -9.7399 -9.7399 -9.7399 -9.7399 -1.4606 -1.4606 -1.4606 -1.4606 7.5075 7.5075 7.5075 7.5075 8.1664 8.1664 8.1664 8.1664 8.2051 8.2051 8.2051 8.2051 14.4618 14.4618 14.4618 14.4618 16.0306 16.0306 16.0306 16.0306 k = 0.1522 0.0879 0.4137 ( 2164 PWs) bands (ev): -30.1572 -30.1572 -30.1572 -30.1572 -11.3270 -11.3270 -11.3270 -11.3270 -10.0412 -10.0412 -10.0412 -10.0412 -9.7346 -9.7346 -9.7346 -9.7346 -1.4421 -1.4421 -1.4421 -1.4421 7.4777 7.4777 7.4777 7.4777 8.1938 8.1938 8.1938 8.1938 8.2200 8.2200 8.2200 8.2200 14.5297 14.5297 14.5297 14.5297 16.0105 16.0105 16.0105 16.0105 k = 0.1630 0.0941 0.4137 ( 2176 PWs) bands (ev): -30.1567 -30.1567 -30.1567 -30.1567 -11.3336 -11.3336 -11.3336 -11.3336 -10.0506 -10.0506 -10.0506 -10.0506 -9.7294 -9.7294 -9.7294 -9.7294 -1.4228 -1.4228 -1.4228 -1.4228 7.4489 7.4489 7.4489 7.4489 8.2170 8.2170 8.2170 8.2170 8.2399 8.2399 8.2399 8.2399 14.5968 14.5968 14.5968 14.5968 15.9895 15.9895 15.9895 15.9895 k = 0.1739 0.1004 0.4137 ( 2176 PWs) bands (ev): -30.1561 -30.1561 -30.1561 -30.1561 -11.3405 -11.3405 -11.3405 -11.3405 -10.0601 -10.0601 -10.0601 -10.0601 -9.7244 -9.7244 -9.7244 -9.7244 -1.4027 -1.4027 -1.4027 -1.4027 7.4211 7.4211 7.4211 7.4211 8.2323 8.2323 8.2323 8.2323 8.2686 8.2686 8.2686 8.2686 14.6613 14.6613 14.6613 14.6613 15.9675 15.9675 15.9675 15.9675 k = 0.1848 0.1067 0.4137 ( 2176 PWs) bands (ev): -30.1556 -30.1556 -30.1556 -30.1556 -11.3476 -11.3476 -11.3476 -11.3476 -10.0696 -10.0696 -10.0695 -10.0695 -9.7195 -9.7195 -9.7195 -9.7195 -1.3820 -1.3820 -1.3820 -1.3820 7.3945 7.3945 7.3945 7.3945 8.2438 8.2438 8.2438 8.2438 8.3020 8.3020 8.3020 8.3020 14.7214 14.7214 14.7214 14.7214 15.9449 15.9449 15.9449 15.9449 k = 0.1957 0.1130 0.4137 ( 2174 PWs) bands (ev): -30.1550 -30.1550 -30.1550 -30.1550 -11.3550 -11.3550 -11.3550 -11.3550 -10.0789 -10.0789 -10.0789 -10.0789 -9.7147 -9.7147 -9.7147 -9.7147 -1.3607 -1.3607 -1.3607 -1.3607 7.3692 7.3692 7.3692 7.3692 8.2538 8.2538 8.2538 8.2538 8.3377 8.3377 8.3377 8.3377 14.7747 14.7747 14.7747 14.7747 15.9217 15.9217 15.9217 15.9217 k = 0.2065 0.1192 0.4137 ( 2170 PWs) bands (ev): -30.1544 -30.1544 -30.1544 -30.1544 -11.3626 -11.3626 -11.3626 -11.3626 -10.0881 -10.0881 -10.0881 -10.0881 -9.7102 -9.7102 -9.7102 -9.7102 -1.3390 -1.3390 -1.3390 -1.3390 7.3451 7.3451 7.3451 7.3451 8.2630 8.2630 8.2630 8.2630 8.3750 8.3750 8.3750 8.3750 14.8192 14.8192 14.8192 14.8192 15.8979 15.8979 15.8979 15.8979 k = 0.2174 0.1255 0.4137 ( 2168 PWs) bands (ev): -30.1538 -30.1538 -30.1538 -30.1538 -11.3703 -11.3703 -11.3703 -11.3703 -10.0972 -10.0972 -10.0972 -10.0972 -9.7058 -9.7058 -9.7058 -9.7058 -1.3170 -1.3170 -1.3170 -1.3170 7.3224 7.3224 7.3224 7.3224 8.2716 8.2716 8.2716 8.2716 8.4136 8.4136 8.4136 8.4136 14.8527 14.8527 14.8527 14.8527 15.8738 15.8738 15.8738 15.8738 k = 0.2283 0.1318 0.4137 ( 2172 PWs) bands (ev): -30.1532 -30.1532 -30.1532 -30.1532 -11.3781 -11.3781 -11.3781 -11.3781 -10.1062 -10.1062 -10.1062 -10.1062 -9.7016 -9.7016 -9.7016 -9.7016 -1.2948 -1.2948 -1.2948 -1.2948 7.3011 7.3011 7.3011 7.3011 8.2797 8.2797 8.2797 8.2797 8.4534 8.4534 8.4534 8.4534 14.8736 14.8736 14.8736 14.8736 15.8493 15.8493 15.8493 15.8493 k = 0.2391 0.1381 0.4137 ( 2168 PWs) bands (ev): -30.1526 -30.1526 -30.1526 -30.1526 -11.3861 -11.3861 -11.3861 -11.3861 -10.1149 -10.1149 -10.1149 -10.1149 -9.6975 -9.6975 -9.6975 -9.6975 -1.2725 -1.2725 -1.2725 -1.2725 7.2812 7.2812 7.2812 7.2812 8.2877 8.2877 8.2877 8.2877 8.4940 8.4940 8.4940 8.4940 14.8810 14.8810 14.8810 14.8810 15.8247 15.8247 15.8247 15.8247 k = 0.2500 0.1443 0.4137 ( 2176 PWs) bands (ev): -30.1520 -30.1520 -30.1520 -30.1520 -11.3941 -11.3941 -11.3941 -11.3941 -10.1235 -10.1235 -10.1235 -10.1235 -9.6937 -9.6937 -9.6937 -9.6937 -1.2502 -1.2502 -1.2502 -1.2502 7.2628 7.2628 7.2628 7.2628 8.2954 8.2954 8.2954 8.2954 8.5354 8.5354 8.5354 8.5354 14.8746 14.8746 14.8746 14.8746 15.7999 15.7999 15.7999 15.7999 k = 0.2609 0.1506 0.4137 ( 2180 PWs) bands (ev): -30.1514 -30.1514 -30.1514 -30.1514 -11.4021 -11.4021 -11.4021 -11.4021 -10.1317 -10.1317 -10.1317 -10.1317 -9.6900 -9.6900 -9.6900 -9.6900 -1.2280 -1.2280 -1.2280 -1.2280 7.2458 7.2458 7.2458 7.2458 8.3031 8.3031 8.3031 8.3031 8.5773 8.5773 8.5773 8.5773 14.8552 14.8552 14.8552 14.8552 15.7751 15.7751 15.7751 15.7751 k = 0.2717 0.1569 0.4137 ( 2184 PWs) bands (ev): -30.1508 -30.1508 -30.1508 -30.1508 -11.4101 -11.4101 -11.4101 -11.4101 -10.1398 -10.1398 -10.1398 -10.1398 -9.6866 -9.6866 -9.6866 -9.6866 -1.2060 -1.2060 -1.2060 -1.2060 7.2302 7.2302 7.2302 7.2302 8.3108 8.3108 8.3108 8.3108 8.6196 8.6196 8.6196 8.6196 14.8237 14.8237 14.8237 14.8237 15.7504 15.7504 15.7504 15.7504 k = 0.2826 0.1632 0.4137 ( 2188 PWs) bands (ev): -30.1502 -30.1502 -30.1502 -30.1502 -11.4180 -11.4180 -11.4180 -11.4180 -10.1475 -10.1475 -10.1475 -10.1475 -9.6833 -9.6833 -9.6833 -9.6833 -1.1843 -1.1843 -1.1843 -1.1843 7.2160 7.2160 7.2160 7.2160 8.3186 8.3186 8.3186 8.3186 8.6621 8.6621 8.6621 8.6621 14.7818 14.7818 14.7818 14.7818 15.7259 15.7259 15.7259 15.7259 k = 0.2935 0.1694 0.4137 ( 2186 PWs) bands (ev): -30.1496 -30.1496 -30.1496 -30.1496 -11.4258 -11.4258 -11.4258 -11.4258 -10.1550 -10.1550 -10.1550 -10.1550 -9.6802 -9.6802 -9.6802 -9.6802 -1.1631 -1.1631 -1.1631 -1.1631 7.2032 7.2032 7.2032 7.2032 8.3265 8.3265 8.3265 8.3265 8.7046 8.7046 8.7046 8.7046 14.7312 14.7312 14.7312 14.7312 15.7016 15.7016 15.7016 15.7016 k = 0.3043 0.1757 0.4137 ( 2190 PWs) bands (ev): -30.1490 -30.1490 -30.1490 -30.1490 -11.4334 -11.4334 -11.4334 -11.4334 -10.1622 -10.1622 -10.1622 -10.1622 -9.6772 -9.6772 -9.6772 -9.6772 -1.1424 -1.1424 -1.1424 -1.1424 7.1916 7.1916 7.1916 7.1916 8.3345 8.3345 8.3345 8.3345 8.7469 8.7469 8.7469 8.7469 14.6735 14.6735 14.6735 14.6735 15.6777 15.6777 15.6777 15.6777 k = 0.3152 0.1820 0.4137 ( 2190 PWs) bands (ev): -30.1484 -30.1484 -30.1484 -30.1484 -11.4409 -11.4409 -11.4409 -11.4409 -10.1690 -10.1690 -10.1690 -10.1690 -9.6745 -9.6745 -9.6745 -9.6745 -1.1223 -1.1223 -1.1223 -1.1223 7.1813 7.1813 7.1813 7.1813 8.3428 8.3428 8.3428 8.3428 8.7887 8.7887 8.7887 8.7887 14.6105 14.6105 14.6105 14.6105 15.6541 15.6541 15.6541 15.6541 k = 0.3261 0.1883 0.4137 ( 2194 PWs) bands (ev): -30.1478 -30.1478 -30.1478 -30.1478 -11.4482 -11.4482 -11.4482 -11.4482 -10.1755 -10.1755 -10.1755 -10.1755 -9.6719 -9.6719 -9.6719 -9.6719 -1.1028 -1.1028 -1.1028 -1.1028 7.1722 7.1722 7.1722 7.1722 8.3511 8.3511 8.3511 8.3511 8.8298 8.8298 8.8298 8.8298 14.5436 14.5436 14.5436 14.5436 15.6312 15.6312 15.6312 15.6312 k = 0.3370 0.1945 0.4137 ( 2198 PWs) bands (ev): -30.1473 -30.1473 -30.1473 -30.1473 -11.4552 -11.4552 -11.4552 -11.4552 -10.1817 -10.1817 -10.1817 -10.1817 -9.6695 -9.6695 -9.6695 -9.6695 -1.0842 -1.0842 -1.0842 -1.0842 7.1642 7.1642 7.1642 7.1642 8.3597 8.3597 8.3597 8.3597 8.8701 8.8701 8.8701 8.8701 14.4744 14.4744 14.4744 14.4744 15.6088 15.6088 15.6088 15.6088 k = 0.3478 0.2008 0.4137 ( 2198 PWs) bands (ev): -30.1468 -30.1468 -30.1468 -30.1468 -11.4620 -11.4620 -11.4620 -11.4620 -10.1875 -10.1875 -10.1875 -10.1875 -9.6673 -9.6673 -9.6673 -9.6673 -1.0664 -1.0664 -1.0664 -1.0664 7.1572 7.1572 7.1572 7.1572 8.3684 8.3684 8.3684 8.3684 8.9093 8.9093 8.9093 8.9093 14.4041 14.4041 14.4041 14.4041 15.5871 15.5871 15.5871 15.5871 k = 0.3587 0.2071 0.4137 ( 2194 PWs) bands (ev): -30.1463 -30.1463 -30.1463 -30.1463 -11.4684 -11.4684 -11.4684 -11.4684 -10.1929 -10.1929 -10.1929 -10.1929 -9.6652 -9.6652 -9.6652 -9.6652 -1.0495 -1.0495 -1.0495 -1.0495 7.1511 7.1511 7.1511 7.1511 8.3772 8.3772 8.3772 8.3772 8.9471 8.9471 8.9471 8.9471 14.3340 14.3340 14.3340 14.3340 15.5663 15.5663 15.5663 15.5663 k = 0.3696 0.2134 0.4137 ( 2194 PWs) bands (ev): -30.1458 -30.1458 -30.1458 -30.1458 -11.4745 -11.4745 -11.4745 -11.4745 -10.1980 -10.1980 -10.1980 -10.1980 -9.6633 -9.6633 -9.6633 -9.6633 -1.0336 -1.0336 -1.0336 -1.0336 7.1459 7.1459 7.1459 7.1459 8.3861 8.3861 8.3861 8.3861 8.9833 8.9833 8.9833 8.9833 14.2650 14.2650 14.2650 14.2650 15.5464 15.5464 15.5464 15.5464 k = 0.3804 0.2196 0.4137 ( 2190 PWs) bands (ev): -30.1454 -30.1454 -30.1454 -30.1454 -11.4802 -11.4802 -11.4802 -11.4802 -10.2026 -10.2026 -10.2026 -10.2026 -9.6615 -9.6615 -9.6615 -9.6615 -1.0187 -1.0187 -1.0187 -1.0187 7.1415 7.1415 7.1415 7.1415 8.3949 8.3949 8.3949 8.3949 9.0177 9.0177 9.0177 9.0177 14.1981 14.1981 14.1981 14.1981 15.5275 15.5275 15.5275 15.5275 k = 0.3913 0.2259 0.4137 ( 2190 PWs) bands (ev): -30.1450 -30.1450 -30.1450 -30.1450 -11.4856 -11.4856 -11.4856 -11.4856 -10.2069 -10.2069 -10.2069 -10.2069 -9.6599 -9.6599 -9.6599 -9.6599 -1.0050 -1.0050 -1.0050 -1.0050 7.1378 7.1378 7.1378 7.1378 8.4035 8.4035 8.4035 8.4035 9.0501 9.0501 9.0501 9.0501 14.1342 14.1342 14.1342 14.1342 15.5097 15.5097 15.5097 15.5097 k = 0.4022 0.2322 0.4137 ( 2190 PWs) bands (ev): -30.1446 -30.1446 -30.1446 -30.1446 -11.4904 -11.4904 -11.4904 -11.4904 -10.2108 -10.2108 -10.2108 -10.2108 -9.6585 -9.6585 -9.6585 -9.6585 -0.9924 -0.9924 -0.9924 -0.9924 7.1347 7.1347 7.1347 7.1347 8.4118 8.4118 8.4118 8.4118 9.0801 9.0801 9.0801 9.0801 14.0741 14.0741 14.0741 14.0741 15.4932 15.4932 15.4932 15.4932 k = 0.4130 0.2385 0.4137 ( 2184 PWs) bands (ev): -30.1443 -30.1443 -30.1443 -30.1443 -11.4949 -11.4949 -11.4949 -11.4949 -10.2143 -10.2143 -10.2143 -10.2143 -9.6572 -9.6572 -9.6572 -9.6572 -0.9810 -0.9810 -0.9810 -0.9810 7.1321 7.1321 7.1321 7.1321 8.4197 8.4197 8.4197 8.4197 9.1077 9.1077 9.1077 9.1077 14.0185 14.0185 14.0185 14.0185 15.4780 15.4780 15.4780 15.4780 k = 0.4239 0.2447 0.4137 ( 2184 PWs) bands (ev): -30.1440 -30.1440 -30.1440 -30.1440 -11.4988 -11.4988 -11.4988 -11.4988 -10.2175 -10.2175 -10.2175 -10.2175 -9.6561 -9.6561 -9.6561 -9.6561 -0.9709 -0.9709 -0.9709 -0.9709 7.1300 7.1300 7.1300 7.1300 8.4272 8.4272 8.4272 8.4272 9.1326 9.1326 9.1326 9.1326 13.9679 13.9679 13.9679 13.9679 15.4643 15.4643 15.4643 15.4643 k = 0.4348 0.2510 0.4137 ( 2192 PWs) bands (ev): -30.1437 -30.1437 -30.1437 -30.1437 -11.5023 -11.5023 -11.5023 -11.5023 -10.2202 -10.2202 -10.2202 -10.2202 -9.6551 -9.6551 -9.6551 -9.6551 -0.9620 -0.9620 -0.9620 -0.9620 7.1283 7.1283 7.1283 7.1283 8.4339 8.4339 8.4339 8.4339 9.1545 9.1545 9.1545 9.1545 13.9229 13.9229 13.9229 13.9229 15.4521 15.4521 15.4521 15.4521 k = 0.4457 0.2573 0.4137 ( 2196 PWs) bands (ev): -30.1435 -30.1435 -30.1435 -30.1435 -11.5053 -11.5053 -11.5053 -11.5053 -10.2224 -10.2224 -10.2224 -10.2224 -9.6543 -9.6543 -9.6543 -9.6543 -0.9545 -0.9545 -0.9545 -0.9545 7.1269 7.1269 7.1269 7.1269 8.4398 8.4398 8.4398 8.4398 9.1734 9.1734 9.1734 9.1734 13.8840 13.8840 13.8840 13.8840 15.4416 15.4416 15.4416 15.4416 k = 0.4565 0.2636 0.4137 ( 2196 PWs) bands (ev): -30.1433 -30.1433 -30.1433 -30.1433 -11.5078 -11.5078 -11.5078 -11.5078 -10.2243 -10.2243 -10.2243 -10.2243 -9.6537 -9.6537 -9.6537 -9.6537 -0.9483 -0.9483 -0.9483 -0.9483 7.1259 7.1259 7.1259 7.1259 8.4449 8.4449 8.4449 8.4449 9.1891 9.1891 9.1891 9.1891 13.8517 13.8517 13.8517 13.8517 15.4329 15.4329 15.4329 15.4329 k = 0.4674 0.2698 0.4137 ( 2196 PWs) bands (ev): -30.1431 -30.1431 -30.1431 -30.1431 -11.5097 -11.5097 -11.5097 -11.5097 -10.2258 -10.2258 -10.2258 -10.2258 -9.6531 -9.6531 -9.6531 -9.6531 -0.9435 -0.9435 -0.9435 -0.9435 7.1251 7.1251 7.1251 7.1251 8.4489 8.4489 8.4489 8.4489 9.2014 9.2014 9.2014 9.2014 13.8261 13.8261 13.8261 13.8261 15.4261 15.4261 15.4261 15.4261 k = 0.4783 0.2761 0.4137 ( 2204 PWs) bands (ev): -30.1430 -30.1430 -30.1430 -30.1430 -11.5111 -11.5111 -11.5111 -11.5111 -10.2268 -10.2268 -10.2268 -10.2268 -9.6528 -9.6528 -9.6528 -9.6528 -0.9400 -0.9400 -0.9400 -0.9400 7.1246 7.1246 7.1246 7.1246 8.4519 8.4519 8.4519 8.4519 9.2103 9.2103 9.2103 9.2103 13.8077 13.8077 13.8077 13.8077 15.4211 15.4211 15.4211 15.4211 k = 0.4891 0.2824 0.4137 ( 2204 PWs) bands (ev): -30.1430 -30.1430 -30.1430 -30.1430 -11.5119 -11.5119 -11.5119 -11.5119 -10.2275 -10.2275 -10.2275 -10.2275 -9.6525 -9.6525 -9.6525 -9.6525 -0.9379 -0.9379 -0.9379 -0.9379 7.1243 7.1243 7.1243 7.1243 8.4537 8.4537 8.4537 8.4537 9.2156 9.2156 9.2156 9.2156 13.7966 13.7966 13.7966 13.7966 15.4181 15.4181 15.4181 15.4181 k = 0.5000 0.2887 0.4137 ( 2196 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5122 -11.5122 -11.5122 -11.5122 -10.2277 -10.2277 -10.2277 -10.2277 -9.6525 -9.6525 -9.6525 -9.6525 -0.9372 -0.9372 -0.9372 -0.9372 7.1242 7.1242 7.1242 7.1242 8.4543 8.4543 8.4543 8.4543 9.2175 9.2175 9.2175 9.2175 13.7928 13.7928 13.7928 13.7928 15.4171 15.4171 15.4171 15.4171 k = 0.5000 0.2887 0.4137 ( 2196 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5122 -11.5122 -11.5122 -11.5122 -10.2277 -10.2277 -10.2277 -10.2277 -9.6525 -9.6525 -9.6525 -9.6525 -0.9372 -0.9372 -0.9372 -0.9372 7.1242 7.1242 7.1242 7.1242 8.4543 8.4543 8.4543 8.4543 9.2175 9.2175 9.2175 9.2175 13.7928 13.7928 13.7928 13.7928 15.4171 15.4171 15.4171 15.4171 k = 0.4938 0.2994 0.4137 ( 2204 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5173 -11.5173 -11.5070 -11.5070 -10.2416 -10.2416 -10.2138 -10.2138 -9.6604 -9.6604 -9.6448 -9.6448 -0.9396 -0.9396 -0.9341 -0.9341 7.1243 7.1243 7.1248 7.1248 8.4541 8.4541 8.4552 8.4552 9.2140 9.2140 9.2203 9.2203 13.7853 13.7853 13.7894 13.7894 15.4211 15.4211 15.4226 15.4226 k = 0.4877 0.3101 0.4137 ( 2194 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5224 -11.5224 -11.5019 -11.5019 -10.2556 -10.2556 -10.2000 -10.2000 -9.6685 -9.6685 -9.6373 -9.6373 -0.9415 -0.9415 -0.9304 -0.9304 7.1253 7.1253 7.1261 7.1261 8.4545 8.4545 8.4569 8.4569 9.2101 9.2102 9.2226 9.2226 13.7672 13.7672 13.7752 13.7752 15.4344 15.4344 15.4372 15.4372 k = 0.4815 0.3208 0.4137 ( 2190 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5276 -11.5276 -11.4968 -11.4968 -10.2695 -10.2695 -10.1864 -10.1864 -9.6769 -9.6769 -9.6302 -9.6302 -0.9426 -0.9426 -0.9261 -0.9261 7.1269 7.1269 7.1281 7.1281 8.4557 8.4557 8.4593 8.4593 9.2057 9.2057 9.2243 9.2243 13.7393 13.7393 13.7511 13.7511 15.4559 15.4559 15.4595 15.4595 k = 0.4753 0.3314 0.4137 ( 2188 PWs) bands (ev): -30.1428 -30.1428 -30.1428 -30.1428 -11.5326 -11.5326 -11.4917 -11.4917 -10.2834 -10.2834 -10.1730 -10.1730 -9.6854 -9.6854 -9.6233 -9.6233 -0.9432 -0.9432 -0.9212 -0.9212 7.1292 7.1292 7.1308 7.1308 8.4577 8.4577 8.4624 8.4624 9.2006 9.2006 9.2253 9.2253 13.7031 13.7031 13.7182 13.7182 15.4840 15.4840 15.4877 15.4877 k = 0.4691 0.3421 0.4137 ( 2188 PWs) bands (ev): -30.1428 -30.1428 -30.1428 -30.1428 -11.5376 -11.5376 -11.4868 -11.4868 -10.2973 -10.2973 -10.1597 -10.1597 -9.6941 -9.6941 -9.6167 -9.6167 -0.9431 -0.9431 -0.9158 -0.9158 7.1322 7.1322 7.1342 7.1342 8.4604 8.4604 8.4663 8.4663 9.1949 9.1949 9.2256 9.2256 13.6597 13.6597 13.6779 13.6779 15.5165 15.5165 15.5195 15.5195 k = 0.4630 0.3528 0.4137 ( 2188 PWs) bands (ev): -30.1427 -30.1427 -30.1427 -30.1427 -11.5426 -11.5426 -11.4819 -11.4819 -10.3110 -10.3110 -10.1466 -10.1466 -9.7030 -9.7030 -9.6104 -9.6104 -0.9424 -0.9424 -0.9099 -0.9099 7.1359 7.1359 7.1382 7.1382 8.4639 8.4639 8.4710 8.4710 9.1887 9.1887 9.2252 9.2252 13.6109 13.6109 13.6318 13.6318 15.5511 15.5511 15.5525 15.5525 k = 0.4568 0.3635 0.4137 ( 2196 PWs) bands (ev): -30.1426 -30.1426 -30.1426 -30.1426 -11.5475 -11.5475 -11.4771 -11.4771 -10.3245 -10.3245 -10.1338 -10.1338 -9.7120 -9.7120 -9.6043 -9.6043 -0.9412 -0.9412 -0.9035 -0.9035 7.1401 7.1401 7.1428 7.1428 8.4682 8.4682 8.4764 8.4764 9.1817 9.1817 9.2241 9.2241 13.5579 13.5579 13.5812 13.5812 15.5842 15.5842 15.5854 15.5854 k = 0.4506 0.3742 0.4137 ( 2196 PWs) bands (ev): -30.1425 -30.1425 -30.1425 -30.1425 -11.5522 -11.5522 -11.4725 -11.4725 -10.3378 -10.3378 -10.1213 -10.1213 -9.7210 -9.7210 -9.5986 -9.5986 -0.9394 -0.9394 -0.8968 -0.8968 7.1450 7.1450 7.1479 7.1479 8.4734 8.4734 8.4827 8.4827 9.1742 9.1742 9.2221 9.2221 13.5021 13.5021 13.5276 13.5276 15.6123 15.6123 15.6171 15.6171 k = 0.4444 0.3849 0.4137 ( 2196 PWs) bands (ev): -30.1424 -30.1424 -30.1424 -30.1424 -11.5569 -11.5569 -11.4680 -11.4680 -10.3508 -10.3508 -10.1090 -10.1090 -9.7301 -9.7301 -9.5932 -9.5932 -0.9372 -0.9372 -0.8897 -0.8897 7.1503 7.1503 7.1535 7.1535 8.4794 8.4794 8.4899 8.4899 9.1660 9.1660 9.2194 9.2194 13.4445 13.4445 13.4719 13.4719 15.6352 15.6352 15.6442 15.6442 k = 0.4383 0.3956 0.4137 ( 2198 PWs) bands (ev): -30.1423 -30.1423 -30.1423 -30.1423 -11.5614 -11.5614 -11.4636 -11.4636 -10.3635 -10.3635 -10.0970 -10.0970 -9.7393 -9.7393 -9.5881 -9.5881 -0.9345 -0.9345 -0.8824 -0.8824 7.1561 7.1561 7.1596 7.1596 8.4865 8.4865 8.4980 8.4980 9.1570 9.1570 9.2158 9.2158 13.3861 13.3861 13.4153 13.4153 15.6516 15.6516 15.6653 15.6653 k = 0.4321 0.4063 0.4137 ( 2202 PWs) bands (ev): -30.1422 -30.1422 -30.1422 -30.1422 -11.5658 -11.5658 -11.4595 -11.4595 -10.3758 -10.3758 -10.0853 -10.0853 -9.7485 -9.7485 -9.5833 -9.5833 -0.9314 -0.9314 -0.8749 -0.8749 7.1621 7.1621 7.1659 7.1659 8.4944 8.4944 8.5069 8.5069 9.1474 9.1474 9.2112 9.2112 13.3277 13.3277 13.3585 13.3585 15.6612 15.6612 15.6797 15.6797 k = 0.4259 0.4170 0.4137 ( 2202 PWs) bands (ev): -30.1421 -30.1421 -30.1421 -30.1421 -11.5700 -11.5700 -11.4555 -11.4555 -10.3877 -10.3877 -10.0740 -10.0740 -9.7576 -9.7576 -9.5788 -9.5788 -0.9281 -0.9281 -0.8673 -0.8673 7.1685 7.1685 7.1725 7.1725 8.5034 8.5034 8.5169 8.5169 9.1371 9.1371 9.2058 9.2058 13.2701 13.2701 13.3023 13.3023 15.6645 15.6645 15.6875 15.6875 k = 0.4198 0.4277 0.4137 ( 2202 PWs) bands (ev): -30.1420 -30.1420 -30.1420 -30.1420 -11.5741 -11.5741 -11.4518 -11.4518 -10.3990 -10.3990 -10.0630 -10.0630 -9.7667 -9.7667 -9.5747 -9.5747 -0.9244 -0.9244 -0.8597 -0.8597 7.1751 7.1751 7.1792 7.1792 8.5135 8.5135 8.5277 8.5277 9.1260 9.1260 9.1994 9.1994 13.2138 13.2138 13.2474 13.2474 15.6623 15.6623 15.6892 15.6892 k = 0.4136 0.4384 0.4137 ( 2210 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.5780 -11.5780 -11.4483 -11.4483 -10.4099 -10.4099 -10.0524 -10.0524 -9.7756 -9.7756 -9.5708 -9.5708 -0.9206 -0.9206 -0.8520 -0.8520 7.1818 7.1818 7.1860 7.1860 8.5245 8.5245 8.5395 8.5395 9.1141 9.1141 9.1921 9.1921 13.1594 13.1594 13.1941 13.1941 15.6558 15.6558 15.6860 15.6860 k = 0.4074 0.4491 0.4137 ( 2218 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.5817 -11.5817 -11.4451 -11.4451 -10.4201 -10.4201 -10.0422 -10.0422 -9.7845 -9.7845 -9.5673 -9.5673 -0.9166 -0.9166 -0.8445 -0.8445 7.1884 7.1884 7.1927 7.1927 8.5366 8.5366 8.5521 8.5521 9.1015 9.1015 9.1838 9.1838 13.1074 13.1074 13.1431 13.1431 15.6462 15.6462 15.6791 15.6791 k = 0.4012 0.4597 0.4137 ( 2218 PWs) bands (ev): -30.1416 -30.1416 -30.1416 -30.1416 -11.5852 -11.5852 -11.4421 -11.4421 -10.4297 -10.4297 -10.0324 -10.0324 -9.7931 -9.7931 -9.5640 -9.5640 -0.9126 -0.9126 -0.8372 -0.8372 7.1950 7.1950 7.1994 7.1994 8.5496 8.5496 8.5656 8.5656 9.0883 9.0883 9.1748 9.1748 13.0580 13.0580 13.0947 13.0947 15.6344 15.6344 15.6695 15.6695 k = 0.3951 0.4704 0.4137 ( 2218 PWs) bands (ev): -30.1415 -30.1415 -30.1415 -30.1415 -11.5885 -11.5885 -11.4394 -11.4394 -10.4387 -10.4387 -10.0231 -10.0231 -9.8014 -9.8014 -9.5611 -9.5611 -0.9086 -0.9086 -0.8302 -0.8302 7.2014 7.2014 7.2058 7.2058 8.5636 8.5636 8.5798 8.5798 9.0745 9.0745 9.1650 9.1650 13.0118 13.0118 13.0492 13.0492 15.6216 15.6216 15.6583 15.6583 k = 0.3889 0.4811 0.4137 ( 2218 PWs) bands (ev): -30.1413 -30.1413 -30.1413 -30.1413 -11.5915 -11.5915 -11.4370 -11.4370 -10.4468 -10.4468 -10.0143 -10.0143 -9.8094 -9.8094 -9.5584 -9.5584 -0.9047 -0.9047 -0.8235 -0.8235 7.2074 7.2074 7.2119 7.2119 8.5784 8.5784 8.5945 8.5945 9.0602 9.0602 9.1546 9.1546 12.9689 12.9689 13.0071 13.0071 15.6084 15.6084 15.6464 15.6464 k = 0.3827 0.4918 0.4137 ( 2218 PWs) bands (ev): -30.1412 -30.1412 -30.1412 -30.1412 -11.5943 -11.5943 -11.4349 -11.4349 -10.4543 -10.4543 -10.0060 -10.0060 -9.8170 -9.8170 -9.5561 -9.5561 -0.9009 -0.9009 -0.8173 -0.8173 7.2131 7.2131 7.2175 7.2175 8.5937 8.5937 8.6095 8.6095 9.0456 9.0456 9.1438 9.1438 12.9296 12.9296 12.9684 12.9684 15.5954 15.5954 15.6343 15.6343 k = 0.3765 0.5025 0.4137 ( 2218 PWs) bands (ev): -30.1411 -30.1411 -30.1411 -30.1411 -11.5968 -11.5968 -11.4331 -11.4331 -10.4609 -10.4609 -9.9984 -9.9984 -9.8242 -9.8242 -9.5541 -9.5541 -0.8973 -0.8973 -0.8115 -0.8115 7.2183 7.2183 7.2227 7.2227 8.6094 8.6094 8.6246 8.6246 9.0309 9.0309 9.1329 9.1329 12.8942 12.8942 12.9336 12.9336 15.5830 15.5830 15.6227 15.6227 k = 0.3704 0.5132 0.4137 ( 2214 PWs) bands (ev): -30.1410 -30.1410 -30.1410 -30.1410 -11.5991 -11.5991 -11.4316 -11.4316 -10.4667 -10.4667 -9.9915 -9.9915 -9.8307 -9.8307 -9.5523 -9.5523 -0.8940 -0.8940 -0.8063 -0.8063 7.2230 7.2230 7.2274 7.2274 8.6252 8.6252 8.6394 8.6394 9.0164 9.0164 9.1220 9.1220 12.8630 12.8630 12.9028 12.9028 15.5717 15.5717 15.6119 15.6119 k = 0.3642 0.5239 0.4137 ( 2222 PWs) bands (ev): -30.1409 -30.1409 -30.1409 -30.1409 -11.6010 -11.6010 -11.4303 -11.4303 -10.4716 -10.4716 -9.9855 -9.9855 -9.8365 -9.8365 -9.5508 -9.5508 -0.8911 -0.8911 -0.8018 -0.8018 7.2270 7.2270 7.2314 7.2314 8.6405 8.6405 8.6533 8.6533 9.0024 9.0024 9.1116 9.1116 12.8360 12.8360 12.8762 12.8762 15.5617 15.5617 15.6023 15.6023 k = 0.3580 0.5346 0.4137 ( 2206 PWs) bands (ev): -30.1408 -30.1408 -30.1408 -30.1408 -11.6026 -11.6026 -11.4293 -11.4293 -10.4756 -10.4756 -9.9803 -9.9803 -9.8415 -9.8415 -9.5496 -9.5496 -0.8886 -0.8886 -0.7980 -0.7980 7.2304 7.2304 7.2348 7.2348 8.6549 8.6549 8.6661 8.6661 8.9896 8.9896 9.1022 9.1022 12.8137 12.8137 12.8541 12.8541 15.5533 15.5533 15.5942 15.5942 k = 0.3519 0.5453 0.4137 ( 2198 PWs) bands (ev): -30.1408 -30.1408 -30.1408 -30.1408 -11.6039 -11.6039 -11.4286 -11.4286 -10.4788 -10.4788 -9.9762 -9.9762 -9.8455 -9.8455 -9.5487 -9.5487 -0.8865 -0.8865 -0.7949 -0.7949 7.2331 7.2331 7.2374 7.2374 8.6674 8.6674 8.6770 8.6770 8.9785 8.9785 9.0942 9.0942 12.7959 12.7959 12.8366 12.8366 15.5467 15.5467 15.5877 15.5877 k = 0.3457 0.5560 0.4137 ( 2194 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6048 -11.6048 -11.4281 -11.4281 -10.4810 -10.4810 -9.9732 -9.9732 -9.8485 -9.8485 -9.5480 -9.5480 -0.8850 -0.8850 -0.7927 -0.7927 7.2350 7.2350 7.2393 7.2393 8.6774 8.6774 8.6854 8.6854 8.9698 8.9698 9.0881 9.0881 12.7831 12.7831 12.8239 12.8239 15.5417 15.5417 15.5829 15.5829 k = 0.3395 0.5667 0.4137 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6054 -11.6054 -11.4278 -11.4278 -10.4824 -10.4824 -9.9714 -9.9714 -9.8503 -9.8503 -9.5476 -9.5476 -0.8840 -0.8840 -0.7913 -0.7913 7.2361 7.2361 7.2404 7.2404 8.6838 8.6838 8.6907 8.6907 8.9643 8.9643 9.0842 9.0842 12.7753 12.7753 12.8162 12.8162 15.5388 15.5388 15.5800 15.5800 k = 0.3333 0.5774 0.4137 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6056 -11.6056 -11.4277 -11.4277 -10.4828 -10.4828 -9.9708 -9.9708 -9.8508 -9.8508 -9.5475 -9.5475 -0.8837 -0.8837 -0.7908 -0.7908 7.2365 7.2365 7.2408 7.2408 8.6860 8.6860 8.6925 8.6925 8.9624 8.9624 9.0829 9.0829 12.7727 12.7727 12.8136 12.8136 15.5378 15.5378 15.5790 15.5790 k = 0.3333 0.5774 0.4137 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6056 -11.6056 -11.4277 -11.4277 -10.4828 -10.4828 -9.9708 -9.9708 -9.8508 -9.8508 -9.5475 -9.5475 -0.8837 -0.8837 -0.7908 -0.7908 7.2365 7.2365 7.2408 7.2408 8.6860 8.6860 8.6925 8.6925 8.9624 8.9624 9.0829 9.0829 12.7727 12.7727 12.8136 12.8136 15.5378 15.5378 15.5790 15.5790 k = 0.3270 0.5665 0.4137 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6054 -11.6054 -11.4278 -11.4278 -10.4823 -10.4823 -9.9714 -9.9714 -9.8503 -9.8503 -9.5476 -9.5476 -0.8840 -0.8840 -0.7913 -0.7913 7.2361 7.2361 7.2404 7.2404 8.6837 8.6837 8.6906 8.6906 8.9643 8.9643 9.0842 9.0842 12.7755 12.7755 12.8163 12.8163 15.5388 15.5388 15.5800 15.5800 k = 0.3208 0.5556 0.4137 ( 2198 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6047 -11.6047 -11.4280 -11.4280 -10.4810 -10.4810 -9.9730 -9.9730 -9.8486 -9.8486 -9.5480 -9.5480 -0.8851 -0.8851 -0.7928 -0.7928 7.2350 7.2350 7.2393 7.2393 8.6769 8.6769 8.6849 8.6849 8.9697 8.9697 9.0879 9.0879 12.7839 12.7839 12.8247 12.8247 15.5420 15.5420 15.5832 15.5832 k = 0.3145 0.5447 0.4137 ( 2202 PWs) bands (ev): -30.1408 -30.1408 -30.1408 -30.1408 -11.6037 -11.6037 -11.4283 -11.4283 -10.4787 -10.4787 -9.9755 -9.9755 -9.8461 -9.8461 -9.5487 -9.5487 -0.8870 -0.8870 -0.7954 -0.7954 7.2331 7.2331 7.2375 7.2375 8.6662 8.6662 8.6757 8.6757 8.9777 8.9777 9.0935 9.0935 12.7982 12.7982 12.8389 12.8389 15.5473 15.5473 15.5884 15.5884 k = 0.3082 0.5338 0.4137 ( 2210 PWs) bands (ev): -30.1409 -30.1409 -30.1409 -30.1409 -11.6022 -11.6022 -11.4287 -11.4287 -10.4756 -10.4756 -9.9787 -9.9787 -9.8428 -9.8428 -9.5496 -9.5496 -0.8897 -0.8897 -0.7991 -0.7991 7.2307 7.2307 7.2350 7.2350 8.6525 8.6525 8.6636 8.6636 8.9873 8.9873 9.1002 9.1002 12.8184 12.8184 12.8589 12.8589 15.5547 15.5547 15.5958 15.5958 k = 0.3019 0.5229 0.4137 ( 2204 PWs) bands (ev): -30.1410 -30.1410 -30.1410 -30.1410 -11.6002 -11.6002 -11.4291 -11.4291 -10.4716 -10.4716 -9.9824 -9.9824 -9.8390 -9.8390 -9.5507 -9.5507 -0.8933 -0.8933 -0.8039 -0.8039 7.2277 7.2277 7.2320 7.2320 8.6367 8.6367 8.6491 8.6491 8.9975 8.9975 9.1073 9.1073 12.8447 12.8447 12.8849 12.8849 15.5643 15.5643 15.6053 15.6053 k = 0.2956 0.5120 0.4137 ( 2204 PWs) bands (ev): -30.1411 -30.1411 -30.1411 -30.1411 -11.5978 -11.5978 -11.4294 -11.4294 -10.4668 -10.4668 -9.9865 -9.9865 -9.8348 -9.8348 -9.5521 -9.5521 -0.8977 -0.8977 -0.8097 -0.8097 7.2241 7.2241 7.2284 7.2284 8.6193 8.6193 8.6327 8.6327 9.0073 9.0073 9.1141 9.1141 12.8770 12.8770 12.9170 12.9170 15.5759 15.5759 15.6169 15.6169 k = 0.2893 0.5011 0.4137 ( 2212 PWs) bands (ev): -30.1413 -30.1413 -30.1413 -30.1413 -11.5949 -11.5949 -11.4297 -11.4297 -10.4612 -10.4612 -9.9909 -9.9909 -9.8302 -9.8302 -9.5538 -9.5538 -0.9030 -0.9030 -0.8167 -0.8167 7.2202 7.2202 7.2244 7.2244 8.6008 8.6008 8.6149 8.6149 9.0159 9.0159 9.1198 9.1198 12.9156 12.9156 12.9551 12.9551 15.5897 15.5897 15.6307 15.6307 k = 0.2830 0.4902 0.4137 ( 2216 PWs) bands (ev): -30.1415 -30.1415 -30.1415 -30.1415 -11.5915 -11.5915 -11.4299 -11.4299 -10.4549 -10.4549 -9.9953 -9.9953 -9.8255 -9.8255 -9.5557 -9.5557 -0.9093 -0.9093 -0.8249 -0.8249 7.2159 7.2159 7.2201 7.2201 8.5819 8.5819 8.5962 8.5962 9.0228 9.0228 9.1238 9.1238 12.9602 12.9602 12.9993 12.9993 15.6056 15.6056 15.6466 15.6466 k = 0.2767 0.4793 0.4137 ( 2216 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.5876 -11.5876 -11.4300 -11.4300 -10.4478 -10.4478 -9.9998 -9.9998 -9.8207 -9.8207 -9.5578 -9.5578 -0.9164 -0.9164 -0.8341 -0.8341 7.2115 7.2115 7.2156 7.2156 8.5628 8.5628 8.5770 8.5770 9.0275 9.0275 9.1257 9.1257 13.0109 13.0109 13.0495 13.0495 15.6235 15.6235 15.6646 15.6646 k = 0.2704 0.4684 0.4137 ( 2216 PWs) bands (ev): -30.1420 -30.1420 -30.1420 -30.1420 -11.5833 -11.5833 -11.4299 -11.4299 -10.4401 -10.4401 -10.0043 -10.0043 -9.8158 -9.8158 -9.5602 -9.5602 -0.9246 -0.9246 -0.8445 -0.8445 7.2070 7.2070 7.2110 7.2110 8.5437 8.5437 8.5575 8.5575 9.0295 9.0295 9.1250 9.1250 13.0677 13.0677 13.1057 13.1057 15.6436 15.6436 15.6847 15.6847 k = 0.2642 0.4575 0.4137 ( 2220 PWs) bands (ev): -30.1422 -30.1422 -30.1422 -30.1422 -11.5785 -11.5785 -11.4296 -11.4296 -10.4317 -10.4317 -10.0087 -10.0087 -9.8109 -9.8109 -9.5628 -9.5628 -0.9336 -0.9336 -0.8560 -0.8560 7.2025 7.2025 7.2063 7.2063 8.5249 8.5249 8.5381 8.5381 9.0286 9.0286 9.1213 9.1213 13.1302 13.1302 13.1676 13.1676 15.6656 15.6656 15.7069 15.7069 k = 0.2579 0.4466 0.4137 ( 2216 PWs) bands (ev): -30.1425 -30.1425 -30.1425 -30.1425 -11.5731 -11.5731 -11.4291 -11.4291 -10.4228 -10.4228 -10.0130 -10.0130 -9.8061 -9.8061 -9.5656 -9.5656 -0.9436 -0.9436 -0.8686 -0.8686 7.1982 7.1982 7.2018 7.2018 8.5065 8.5065 8.5189 8.5189 9.0246 9.0246 9.1146 9.1146 13.1984 13.1984 13.2351 13.2351 15.6897 15.6897 15.7312 15.7312 k = 0.2516 0.4357 0.4137 ( 2214 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5674 -11.5674 -11.4284 -11.4284 -10.4132 -10.4132 -10.0171 -10.0171 -9.8013 -9.8013 -9.5686 -9.5686 -0.9545 -0.9545 -0.8822 -0.8822 7.1941 7.1941 7.1974 7.1974 8.4888 8.4888 8.5002 8.5002 9.0174 9.0174 9.1046 9.1046 13.2719 13.2719 13.3078 13.3078 15.7158 15.7158 15.7576 15.7576 k = 0.2453 0.4248 0.4137 ( 2206 PWs) bands (ev): -30.1432 -30.1432 -30.1432 -30.1432 -11.5611 -11.5611 -11.4273 -11.4273 -10.4031 -10.4031 -10.0210 -10.0210 -9.7966 -9.7966 -9.5719 -9.5719 -0.9664 -0.9664 -0.8969 -0.8969 7.1904 7.1904 7.1934 7.1934 8.4717 8.4717 8.4820 8.4820 9.0068 9.0068 9.0914 9.0914 13.3504 13.3504 13.3854 13.3854 15.7438 15.7438 15.7859 15.7859 k = 0.2390 0.4139 0.4137 ( 2202 PWs) bands (ev): -30.1436 -30.1436 -30.1436 -30.1436 -11.5544 -11.5544 -11.4260 -11.4260 -10.3925 -10.3925 -10.0248 -10.0248 -9.7921 -9.7921 -9.5753 -9.5753 -0.9792 -0.9792 -0.9126 -0.9126 7.1872 7.1872 7.1899 7.1899 8.4553 8.4553 8.4646 8.4646 8.9929 8.9929 9.0748 9.0748 13.4335 13.4335 13.4676 13.4676 15.7736 15.7736 15.8163 15.8163 k = 0.2327 0.4031 0.4137 ( 2206 PWs) bands (ev): -30.1441 -30.1441 -30.1441 -30.1441 -11.5473 -11.5473 -11.4244 -11.4244 -10.3814 -10.3814 -10.0283 -10.0283 -9.7877 -9.7877 -9.5790 -9.5790 -0.9928 -0.9928 -0.9293 -0.9293 7.1847 7.1847 7.1869 7.1869 8.4398 8.4398 8.4478 8.4478 8.9759 8.9759 9.0549 9.0549 13.5206 13.5206 13.5537 13.5537 15.8051 15.8051 15.8484 15.8484 k = 0.2264 0.3922 0.4137 ( 2202 PWs) bands (ev): -30.1445 -30.1445 -30.1445 -30.1445 -11.5397 -11.5397 -11.4224 -11.4224 -10.3699 -10.3699 -10.0315 -10.0315 -9.7834 -9.7834 -9.5829 -9.5829 -1.0074 -1.0074 -0.9469 -0.9469 7.1829 7.1829 7.1847 7.1847 8.4250 8.4250 8.4318 8.4318 8.9557 8.9557 9.0320 9.0320 13.6114 13.6114 13.6433 13.6433 15.8383 15.8383 15.8823 15.8823 k = 0.2201 0.3813 0.4137 ( 2202 PWs) bands (ev): -30.1450 -30.1450 -30.1450 -30.1450 -11.5317 -11.5317 -11.4202 -11.4202 -10.3580 -10.3580 -10.0345 -10.0345 -9.7794 -9.7794 -9.5871 -9.5871 -1.0228 -1.0228 -0.9654 -0.9654 7.1819 7.1819 7.1832 7.1832 8.4111 8.4111 8.4167 8.4167 8.9326 8.9326 9.0062 9.0062 13.7051 13.7051 13.7359 13.7359 15.8728 15.8728 15.9177 15.9178 k = 0.2138 0.3704 0.4137 ( 2202 PWs) bands (ev): -30.1455 -30.1455 -30.1455 -30.1455 -11.5234 -11.5234 -11.4176 -11.4176 -10.3457 -10.3457 -10.0372 -10.0372 -9.7755 -9.7755 -9.5914 -9.5914 -1.0390 -1.0390 -0.9848 -0.9848 7.1819 7.1819 7.1827 7.1827 8.3981 8.3981 8.4024 8.4024 8.9068 8.9068 8.9775 8.9775 13.8011 13.8011 13.8306 13.8306 15.9083 15.9083 15.9544 15.9544 k = 0.2075 0.3595 0.4137 ( 2194 PWs) bands (ev): -30.1460 -30.1460 -30.1460 -30.1460 -11.5147 -11.5147 -11.4147 -11.4147 -10.3331 -10.3331 -10.0396 -10.0396 -9.7718 -9.7718 -9.5959 -9.5959 -1.0560 -1.0560 -1.0049 -1.0049 7.1831 7.1831 7.1832 7.1832 8.3858 8.3858 8.3890 8.3890 8.8784 8.8784 8.9464 8.9464 13.8987 13.8987 13.9269 13.9269 15.9445 15.9445 15.9917 15.9917 k = 0.2013 0.3486 0.4137 ( 2198 PWs) bands (ev): -30.1465 -30.1465 -30.1465 -30.1465 -11.5057 -11.5057 -11.4115 -11.4115 -10.3201 -10.3201 -10.0417 -10.0417 -9.7683 -9.7683 -9.6007 -9.6007 -1.0737 -1.0737 -1.0258 -1.0258 7.1848 7.1848 7.1853 7.1853 8.3743 8.3743 8.3764 8.3764 8.8478 8.8478 8.9130 8.9130 13.9971 13.9971 14.0238 14.0238 15.9807 15.9807 16.0292 16.0292 k = 0.1950 0.3377 0.4137 ( 2194 PWs) bands (ev): -30.1471 -30.1471 -30.1471 -30.1471 -11.4964 -11.4964 -11.4080 -11.4080 -10.3069 -10.3069 -10.0435 -10.0435 -9.7651 -9.7651 -9.6056 -9.6056 -1.0921 -1.0921 -1.0474 -1.0474 7.1878 7.1878 7.1888 7.1888 8.3636 8.3636 8.3646 8.3646 8.8151 8.8151 8.8776 8.8776 14.0953 14.0953 14.1204 14.1204 16.0160 16.0160 16.0659 16.0659 k = 0.1887 0.3268 0.4137 ( 2202 PWs) bands (ev): -30.1476 -30.1476 -30.1476 -30.1476 -11.4868 -11.4868 -11.4042 -11.4042 -10.2934 -10.2934 -10.0449 -10.0449 -9.7621 -9.7621 -9.6108 -9.6108 -1.1112 -1.1112 -1.0696 -1.0696 7.1920 7.1920 7.1937 7.1937 8.3535 8.3535 8.3535 8.3535 8.7807 8.7807 8.8404 8.8404 14.1923 14.1923 14.2159 14.2159 16.0492 16.0492 16.1004 16.1004 k = 0.1824 0.3159 0.4137 ( 2206 PWs) bands (ev): -30.1482 -30.1482 -30.1482 -30.1482 -11.4771 -11.4771 -11.4001 -11.4001 -10.2797 -10.2797 -10.0460 -10.0460 -9.7594 -9.7594 -9.6161 -9.6161 -1.1308 -1.1308 -1.0923 -1.0923 7.1977 7.1977 7.2000 7.2000 8.3431 8.3431 8.3441 8.3441 8.7447 8.7447 8.8018 8.8018 14.2872 14.2872 14.3090 14.3090 16.0788 16.0788 16.1311 16.1311 k = 0.1761 0.3050 0.4137 ( 2202 PWs) bands (ev): -30.1488 -30.1488 -30.1488 -30.1488 -11.4671 -11.4671 -11.3957 -11.3957 -10.2658 -10.2658 -10.0466 -10.0466 -9.7569 -9.7569 -9.6217 -9.6217 -1.1510 -1.1510 -1.1154 -1.1154 7.2049 7.2049 7.2079 7.2079 8.3333 8.3333 8.3352 8.3352 8.7076 8.7076 8.7619 8.7619 14.3786 14.3786 14.3987 14.3987 16.1025 16.1025 16.1556 16.1556 k = 0.1698 0.2941 0.4137 ( 2202 PWs) bands (ev): -30.1494 -30.1494 -30.1494 -30.1494 -11.4570 -11.4570 -11.3911 -11.3911 -10.2517 -10.2517 -10.0470 -10.0470 -9.7547 -9.7547 -9.6274 -9.6274 -1.1716 -1.1716 -1.1390 -1.1390 7.2137 7.2137 7.2172 7.2172 8.3241 8.3241 8.3268 8.3268 8.6695 8.6695 8.7212 8.7212 14.4652 14.4652 14.4835 14.4835 16.1181 16.1181 16.1711 16.1711 k = 0.1635 0.2832 0.4137 ( 2200 PWs) bands (ev): -30.1501 -30.1501 -30.1501 -30.1501 -11.4468 -11.4468 -11.3863 -11.3863 -10.2374 -10.2374 -10.0469 -10.0469 -9.7527 -9.7527 -9.6334 -9.6334 -1.1926 -1.1926 -1.1628 -1.1628 7.2240 7.2240 7.2282 7.2282 8.3153 8.3153 8.3187 8.3187 8.6307 8.6307 8.6798 8.6798 14.5455 14.5455 14.5619 14.5619 16.1230 16.1230 16.1747 16.1747 k = 0.1572 0.2723 0.4137 ( 2194 PWs) bands (ev): -30.1507 -30.1507 -30.1507 -30.1507 -11.4366 -11.4366 -11.3812 -11.3812 -10.2230 -10.2230 -10.0464 -10.0464 -9.7511 -9.7511 -9.6395 -9.6395 -1.2139 -1.2139 -1.1869 -1.1869 7.2361 7.2361 7.2407 7.2407 8.3069 8.3069 8.3110 8.3110 8.5914 8.5914 8.6380 8.6380 14.6177 14.6177 14.6322 14.6322 16.1157 16.1157 16.1647 16.1647 k = 0.1509 0.2614 0.4137 ( 2194 PWs) bands (ev): -30.1513 -30.1513 -30.1513 -30.1513 -11.4263 -11.4263 -11.3760 -11.3760 -10.2086 -10.2086 -10.0455 -10.0455 -9.7498 -9.7498 -9.6458 -9.6458 -1.2355 -1.2355 -1.2110 -1.2110 7.2497 7.2497 7.2549 7.2549 8.2987 8.2987 8.3034 8.3034 8.5520 8.5520 8.5961 8.5961 14.6800 14.6800 14.6927 14.6927 16.0964 16.0964 16.1416 16.1416 k = 0.1447 0.2505 0.4137 ( 2194 PWs) bands (ev): -30.1519 -30.1519 -30.1519 -30.1519 -11.4161 -11.4161 -11.3707 -11.3707 -10.1941 -10.1941 -10.0442 -10.0442 -9.7488 -9.7488 -9.6523 -9.6523 -1.2572 -1.2572 -1.2352 -1.2352 7.2651 7.2651 7.2707 7.2707 8.2907 8.2907 8.2959 8.2959 8.5126 8.5126 8.5542 8.5542 14.7303 14.7303 14.7411 14.7411 16.0680 16.0680 16.1093 16.1093 k = 0.1384 0.2397 0.4137 ( 2190 PWs) bands (ev): -30.1526 -30.1526 -30.1526 -30.1526 -11.4060 -11.4060 -11.3652 -11.3652 -10.1795 -10.1795 -10.0425 -10.0425 -9.7481 -9.7481 -9.6589 -9.6589 -1.2790 -1.2790 -1.2594 -1.2594 7.2821 7.2821 7.2882 7.2882 8.2828 8.2828 8.2884 8.2884 8.4735 8.4735 8.5126 8.5126 14.7664 14.7664 14.7755 14.7755 16.0356 16.0356 16.0732 16.0732 k = 0.1321 0.2288 0.4137 ( 2186 PWs) bands (ev): -30.1532 -30.1532 -30.1532 -30.1532 -11.3960 -11.3960 -11.3596 -11.3596 -10.1650 -10.1650 -10.0404 -10.0404 -9.7477 -9.7477 -9.6658 -9.6658 -1.3007 -1.3007 -1.2834 -1.2834 7.3008 7.3008 7.3072 7.3072 8.2748 8.2748 8.2807 8.2807 8.4348 8.4348 8.4716 8.4716 14.7866 14.7866 14.7942 14.7942 16.0045 16.0045 16.0391 16.0391 k = 0.1258 0.2179 0.4137 ( 2190 PWs) bands (ev): -30.1538 -30.1538 -30.1538 -30.1538 -11.3861 -11.3861 -11.3540 -11.3540 -10.1505 -10.1505 -10.0379 -10.0379 -9.7476 -9.7476 -9.6727 -9.6727 -1.3223 -1.3223 -1.3071 -1.3071 7.3211 7.3211 7.3278 7.3278 8.2665 8.2665 8.2727 8.2727 8.3969 8.3969 8.4313 8.4313 14.7897 14.7897 14.7959 14.7959 15.9794 15.9794 16.0114 16.0114 k = 0.1195 0.2070 0.4137 ( 2186 PWs) bands (ev): -30.1544 -30.1544 -30.1544 -30.1544 -11.3765 -11.3765 -11.3483 -11.3483 -10.1360 -10.1360 -10.0349 -10.0349 -9.7479 -9.7479 -9.6799 -9.6799 -1.3438 -1.3438 -1.3305 -1.3305 7.3430 7.3430 7.3500 7.3500 8.2581 8.2581 8.2642 8.2642 8.3601 8.3601 8.3919 8.3919 14.7757 14.7757 14.7809 14.7809 15.9628 15.9628 15.9927 15.9927 k = 0.1132 0.1961 0.4137 ( 2182 PWs) bands (ev): -30.1550 -30.1550 -30.1550 -30.1550 -11.3672 -11.3672 -11.3427 -11.3427 -10.1217 -10.1217 -10.0315 -10.0315 -9.7486 -9.7486 -9.6871 -9.6871 -1.3649 -1.3649 -1.3534 -1.3534 7.3665 7.3665 7.3736 7.3736 8.2491 8.2491 8.2550 8.2550 8.3245 8.3245 8.3537 8.3537 14.7462 14.7462 14.7506 14.7506 15.9557 15.9557 15.9837 15.9837 k = 0.1069 0.1852 0.4137 ( 2182 PWs) bands (ev): -30.1556 -30.1556 -30.1556 -30.1556 -11.3582 -11.3582 -11.3371 -11.3371 -10.1075 -10.1075 -10.0278 -10.0278 -9.7496 -9.7496 -9.6945 -9.6945 -1.3856 -1.3856 -1.3757 -1.3757 7.3914 7.3914 7.3986 7.3986 8.2395 8.2395 8.2443 8.2443 8.2910 8.2910 8.3169 8.3169 14.7035 14.7035 14.7072 14.7072 15.9573 15.9573 15.9835 15.9835 k = 0.1006 0.1743 0.4137 ( 2174 PWs) bands (ev): -30.1561 -30.1561 -30.1561 -30.1561 -11.3495 -11.3495 -11.3316 -11.3316 -10.0935 -10.0935 -10.0236 -10.0236 -9.7509 -9.7509 -9.7020 -9.7020 -1.4057 -1.4057 -1.3975 -1.3975 7.4176 7.4176 7.4249 7.4249 8.2290 8.2290 8.2307 8.2307 8.2611 8.2611 8.2818 8.2818 14.6507 14.6507 14.6539 14.6539 15.9659 15.9659 15.9905 15.9905 k = 0.0943 0.1634 0.4137 ( 2170 PWs) bands (ev): -30.1567 -30.1567 -30.1567 -30.1567 -11.3412 -11.3412 -11.3261 -11.3261 -10.0797 -10.0797 -10.0191 -10.0191 -9.7526 -9.7526 -9.7096 -9.7096 -1.4253 -1.4253 -1.4184 -1.4184 7.4452 7.4452 7.4523 7.4523 8.2104 8.2104 8.2167 8.2167 8.2386 8.2386 8.2493 8.2493 14.5908 14.5908 14.5936 14.5936 15.9796 15.9796 16.0028 16.0028 k = 0.0881 0.1525 0.4137 ( 2170 PWs) bands (ev): -30.1572 -30.1572 -30.1572 -30.1572 -11.3333 -11.3333 -11.3209 -11.3209 -10.0662 -10.0662 -10.0142 -10.0142 -9.7546 -9.7546 -9.7172 -9.7172 -1.4442 -1.4442 -1.4385 -1.4385 7.4739 7.4739 7.4809 7.4809 8.1841 8.1841 8.2001 8.2001 8.2219 8.2219 8.2227 8.2227 14.5266 14.5266 14.5290 14.5290 15.9966 15.9966 16.0184 16.0184 k = 0.0818 0.1416 0.4137 ( 2170 PWs) bands (ev): -30.1577 -30.1577 -30.1577 -30.1577 -11.3259 -11.3259 -11.3157 -11.3157 -10.0530 -10.0530 -10.0091 -10.0091 -9.7569 -9.7569 -9.7248 -9.7248 -1.4623 -1.4623 -1.4577 -1.4577 7.5036 7.5036 7.5104 7.5104 8.1568 8.1568 8.1761 8.1761 8.2028 8.2028 8.2087 8.2087 14.4605 14.4605 14.4625 14.4625 16.0153 16.0153 16.0358 16.0358 k = 0.0755 0.1307 0.4137 ( 2162 PWs) bands (ev): -30.1581 -30.1581 -30.1581 -30.1581 -11.3189 -11.3189 -11.3108 -11.3108 -10.0402 -10.0402 -10.0036 -10.0036 -9.7595 -9.7595 -9.7325 -9.7325 -1.4795 -1.4795 -1.4758 -1.4758 7.5343 7.5343 7.5407 7.5407 8.1303 8.1303 8.1491 8.1491 8.1876 8.1876 8.1946 8.1946 14.3943 14.3943 14.3959 14.3959 16.0347 16.0347 16.0538 16.0538 k = 0.0692 0.1198 0.4137 ( 2158 PWs) bands (ev): -30.1586 -30.1586 -30.1586 -30.1586 -11.3125 -11.3125 -11.3061 -11.3061 -10.0278 -10.0278 -9.9980 -9.9980 -9.7624 -9.7624 -9.7400 -9.7400 -1.4957 -1.4957 -1.4928 -1.4928 7.5657 7.5657 7.5717 7.5717 8.1055 8.1055 8.1228 8.1228 8.1725 8.1725 8.1797 8.1797 14.3295 14.3295 14.3308 14.3308 16.0538 16.0538 16.0715 16.0715 k = 0.0629 0.1089 0.4137 ( 2154 PWs) bands (ev): -30.1590 -30.1590 -30.1590 -30.1590 -11.3065 -11.3065 -11.3017 -11.3017 -10.0159 -10.0159 -9.9922 -9.9922 -9.7656 -9.7656 -9.7475 -9.7475 -1.5108 -1.5108 -1.5087 -1.5087 7.5976 7.5976 7.6033 7.6033 8.0824 8.0824 8.0982 8.0982 8.1568 8.1568 8.1638 8.1638 14.2674 14.2674 14.2684 14.2684 16.0720 16.0720 16.0883 16.0883 k = 0.0566 0.0980 0.4137 ( 2158 PWs) bands (ev): -30.1593 -30.1593 -30.1593 -30.1593 -11.3012 -11.3012 -11.2976 -11.2976 -10.0047 -10.0047 -9.9863 -9.9863 -9.7690 -9.7690 -9.7547 -9.7547 -1.5248 -1.5248 -1.5232 -1.5232 7.6300 7.6300 7.6351 7.6351 8.0612 8.0612 8.0754 8.0754 8.1402 8.1402 8.1469 8.1469 14.2089 14.2089 14.2097 14.2097 16.0889 16.0889 16.1035 16.1035 k = 0.0503 0.0871 0.4137 ( 2162 PWs) bands (ev): -30.1597 -30.1597 -30.1597 -30.1597 -11.2964 -11.2964 -11.2938 -11.2938 -9.9941 -9.9941 -9.9804 -9.9804 -9.7725 -9.7725 -9.7617 -9.7617 -1.5375 -1.5375 -1.5364 -1.5364 7.6626 7.6626 7.6671 7.6671 8.0422 8.0422 8.0547 8.0547 8.1224 8.1224 8.1287 8.1287 14.1548 14.1548 14.1554 14.1554 16.1041 16.1041 16.1168 16.1168 k = 0.0440 0.0763 0.4137 ( 2170 PWs) bands (ev): -30.1600 -30.1600 -30.1600 -30.1600 -11.2921 -11.2921 -11.2904 -11.2904 -9.9843 -9.9843 -9.9745 -9.9745 -9.7761 -9.7761 -9.7683 -9.7683 -1.5490 -1.5490 -1.5482 -1.5482 7.6951 7.6951 7.6991 7.6991 8.0253 8.0253 8.0361 8.0361 8.1036 8.1036 8.1094 8.1094 14.1058 14.1058 14.1061 14.1061 16.1174 16.1174 16.1278 16.1278 k = 0.0377 0.0654 0.4137 ( 2174 PWs) bands (ev): -30.1603 -30.1603 -30.1603 -30.1603 -11.2884 -11.2884 -11.2874 -11.2874 -9.9755 -9.9755 -9.9689 -9.9689 -9.7798 -9.7798 -9.7745 -9.7745 -1.5590 -1.5590 -1.5586 -1.5586 7.7275 7.7275 7.7308 7.7308 8.0106 8.0106 8.0198 8.0198 8.0838 8.0838 8.0890 8.0890 14.0623 14.0623 14.0626 14.0626 16.1285 16.1285 16.1364 16.1364 k = 0.0314 0.0545 0.4137 ( 2172 PWs) bands (ev): -30.1605 -30.1605 -30.1605 -30.1605 -11.2854 -11.2854 -11.2847 -11.2847 -9.9677 -9.9677 -9.9637 -9.9637 -9.7833 -9.7833 -9.7800 -9.7800 -1.5677 -1.5677 -1.5674 -1.5674 7.7593 7.7593 7.7619 7.7619 7.9982 7.9982 8.0058 8.0058 8.0630 8.0630 8.0676 8.0676 14.0249 14.0249 14.0250 14.0250 16.1373 16.1373 16.1426 16.1426 k = 0.0252 0.0436 0.4137 ( 2172 PWs) bands (ev): -30.1607 -30.1607 -30.1607 -30.1607 -11.2828 -11.2828 -11.2825 -11.2825 -9.9611 -9.9611 -9.9589 -9.9589 -9.7865 -9.7865 -9.7847 -9.7847 -1.5748 -1.5748 -1.5747 -1.5747 7.7902 7.7902 7.7921 7.7921 7.9881 7.9881 7.9941 7.9941 8.0416 8.0416 8.0455 8.0455 13.9938 13.9938 13.9939 13.9939 16.1438 16.1438 16.1468 16.1468 k = 0.0189 0.0327 0.4137 ( 2168 PWs) bands (ev): -30.1608 -30.1608 -30.1608 -30.1608 -11.2809 -11.2809 -11.2808 -11.2808 -9.9558 -9.9558 -9.9549 -9.9549 -9.7893 -9.7893 -9.7886 -9.7886 -1.5804 -1.5804 -1.5803 -1.5803 7.8195 7.8195 7.8207 7.8207 7.9803 7.9803 7.9846 7.9846 8.0202 8.0202 8.0232 8.0232 13.9694 13.9694 13.9694 13.9694 16.1481 16.1481 16.1494 16.1494 k = 0.0126 0.0218 0.4137 ( 2164 PWs) bands (ev): -30.1609 -30.1609 -30.1609 -30.1609 -11.2795 -11.2795 -11.2795 -11.2795 -9.9520 -9.9520 -9.9517 -9.9517 -9.7916 -9.7916 -9.7913 -9.7913 -1.5844 -1.5844 -1.5844 -1.5844 7.8460 7.8460 7.8466 7.8466 7.9746 7.9746 7.9771 7.9771 8.0001 8.0001 8.0021 8.0021 13.9517 13.9517 13.9518 13.9518 16.1506 16.1506 16.1511 16.1511 k = 0.0063 0.0109 0.4137 ( 2160 PWs) bands (ev): -30.1610 -30.1610 -30.1610 -30.1610 -11.2787 -11.2787 -11.2787 -11.2787 -9.9497 -9.9497 -9.9497 -9.9497 -9.7931 -9.7931 -9.7930 -9.7930 -1.5869 -1.5869 -1.5869 -1.5869 7.8666 7.8666 7.8667 7.8667 7.9703 7.9703 7.9710 7.9710 7.9850 7.9850 7.9856 7.9856 13.9411 13.9411 13.9411 13.9411 16.1519 16.1519 16.1520 16.1520 k = 0.0000 0.0000 0.4137 ( 2156 PWs) bands (ev): -30.1610 -30.1610 -30.1610 -30.1610 -11.2784 -11.2784 -11.2784 -11.2784 -9.9490 -9.9490 -9.9490 -9.9490 -9.7936 -9.7936 -9.7936 -9.7936 -1.5877 -1.5877 -1.5877 -1.5877 7.8750 7.8750 7.8750 7.8750 7.9676 7.9676 7.9676 7.9676 7.9798 7.9798 7.9798 7.9798 13.9376 13.9376 13.9376 13.9376 16.1523 16.1523 16.1523 16.1523 k = 0.5000 0.2887 0.4137 ( 2196 PWs) bands (ev): -30.1429 -30.1429 -30.1429 -30.1429 -11.5122 -11.5122 -11.5122 -11.5122 -10.2277 -10.2277 -10.2277 -10.2277 -9.6525 -9.6525 -9.6525 -9.6525 -0.9372 -0.9372 -0.9372 -0.9372 7.1242 7.1242 7.1242 7.1242 8.4543 8.4543 8.4543 8.4543 9.2175 9.2175 9.2175 9.2175 13.7928 13.7928 13.7928 13.7928 15.4171 15.4171 15.4171 15.4171 k = 0.5000 0.2887 0.4012 ( 2200 PWs) bands (ev): -30.1444 -30.1444 -30.1415 -30.1415 -11.5151 -11.5151 -11.5087 -11.5087 -10.2329 -10.2329 -10.2222 -10.2222 -9.6596 -9.6596 -9.6460 -9.6460 -0.9395 -0.9395 -0.9376 -0.9376 7.1227 7.1227 7.1315 7.1315 8.4429 8.4429 8.4682 8.4682 9.2156 9.2156 9.2207 9.2207 13.7630 13.7630 13.8208 13.8208 15.3068 15.3068 15.5218 15.5218 k = 0.5000 0.2887 0.3887 ( 2192 PWs) bands (ev): -30.1459 -30.1459 -30.1400 -30.1400 -11.5175 -11.5175 -11.5047 -11.5047 -10.2377 -10.2377 -10.2164 -10.2164 -9.6674 -9.6674 -9.6401 -9.6401 -0.9444 -0.9444 -0.9406 -0.9406 7.1268 7.1268 7.1446 7.1446 8.4341 8.4341 8.4846 8.4846 9.2149 9.2149 9.2252 9.2252 13.7317 13.7317 13.8462 13.8462 15.1920 15.1920 15.6196 15.6196 k = 0.5000 0.2887 0.3761 ( 2192 PWs) bands (ev): -30.1474 -30.1474 -30.1385 -30.1385 -11.5194 -11.5194 -11.5003 -11.5003 -10.2422 -10.2422 -10.2104 -10.2104 -9.6757 -9.6757 -9.6348 -9.6348 -0.9519 -0.9519 -0.9462 -0.9462 7.1364 7.1364 7.1635 7.1635 8.4279 8.4279 8.5033 8.5033 9.2155 9.2155 9.2312 9.2312 13.6993 13.6993 13.8686 13.8686 15.0738 15.0738 15.7089 15.7089 k = 0.5000 0.2887 0.3636 ( 2190 PWs) bands (ev): -30.1489 -30.1489 -30.1370 -30.1370 -11.5207 -11.5207 -11.4954 -11.4954 -10.2462 -10.2462 -10.2042 -10.2042 -9.6847 -9.6847 -9.6303 -9.6303 -0.9620 -0.9620 -0.9543 -0.9543 7.1511 7.1511 7.1881 7.1881 8.4245 8.4245 8.5243 8.5243 9.2172 9.2172 9.2385 9.2385 13.6662 13.6662 13.8874 13.8874 14.9531 14.9531 15.7884 15.7884 k = 0.5000 0.2887 0.3511 ( 2188 PWs) bands (ev): -30.1504 -30.1504 -30.1356 -30.1356 -11.5215 -11.5215 -11.4902 -11.4902 -10.2498 -10.2498 -10.1979 -10.1979 -9.6942 -9.6942 -9.6264 -9.6264 -0.9744 -0.9744 -0.9648 -0.9648 7.1707 7.1707 7.2183 7.2183 8.4240 8.4240 8.5476 8.5476 9.2199 9.2199 9.2473 9.2473 13.6327 13.6327 13.9018 13.9018 14.8306 14.8306 15.8567 15.8567 k = 0.5000 0.2887 0.3385 ( 2196 PWs) bands (ev): -30.1519 -30.1519 -30.1342 -30.1342 -11.5218 -11.5218 -11.4845 -11.4845 -10.2529 -10.2529 -10.1915 -10.1915 -9.7042 -9.7042 -9.6231 -9.6231 -0.9892 -0.9892 -0.9776 -0.9776 7.1946 7.1946 7.2539 7.2539 8.4265 8.4265 8.5729 8.5729 9.2237 9.2237 9.2576 9.2576 13.5992 13.5992 13.9113 13.9113 14.7071 14.7071 15.9129 15.9129 k = 0.5000 0.2887 0.3260 ( 2192 PWs) bands (ev): -30.1533 -30.1533 -30.1328 -30.1328 -11.5215 -11.5215 -11.4785 -11.4785 -10.2555 -10.2555 -10.1850 -10.1850 -9.7148 -9.7148 -9.6205 -9.6205 -1.0060 -1.0060 -0.9925 -0.9925 7.2226 7.2226 7.2946 7.2946 8.4321 8.4321 8.6004 8.6004 9.2284 9.2284 9.2693 9.2693 13.5659 13.5659 13.9152 13.9152 14.5829 14.5829 15.9568 15.9568 k = 0.5000 0.2887 0.3134 ( 2192 PWs) bands (ev): -30.1548 -30.1548 -30.1314 -30.1314 -11.5207 -11.5207 -11.4723 -11.4723 -10.2574 -10.2574 -10.1784 -10.1784 -9.7258 -9.7258 -9.6186 -9.6186 -1.0247 -1.0247 -1.0093 -1.0093 7.2540 7.2540 7.3403 7.3403 8.4410 8.4410 8.6297 8.6297 9.2339 9.2339 9.2825 9.2825 13.5329 13.5329 13.9132 13.9132 14.4588 14.4588 15.9837 15.9837 k = 0.5000 0.2887 0.3009 ( 2190 PWs) bands (ev): -30.1562 -30.1562 -30.1300 -30.1300 -11.5194 -11.5194 -11.4657 -11.4657 -10.2588 -10.2588 -10.1718 -10.1718 -9.7373 -9.7373 -9.6173 -9.6173 -1.0452 -1.0452 -1.0278 -1.0278 7.2883 7.2883 7.3904 7.3904 8.4534 8.4534 8.6609 8.6609 9.2403 9.2403 9.2972 9.2972 13.5005 13.5005 13.9048 13.9048 14.3351 14.3351 15.9500 15.9500 k = 0.5000 0.2887 0.2884 ( 2190 PWs) bands (ev): -30.1576 -30.1576 -30.1287 -30.1287 -11.5176 -11.5176 -11.4590 -11.4590 -10.2596 -10.2596 -10.1653 -10.1653 -9.7492 -9.7492 -9.6166 -9.6166 -1.0672 -1.0672 -1.0479 -1.0479 7.3247 7.3247 7.4447 7.4447 8.4694 8.4694 8.6937 8.6937 9.2473 9.2473 9.3133 9.3133 13.4688 13.4688 13.8901 13.8901 14.2122 14.2122 15.9118 15.9118 k = 0.5000 0.2887 0.2758 ( 2190 PWs) bands (ev): -30.1589 -30.1589 -30.1274 -30.1274 -11.5153 -11.5153 -11.4521 -11.4521 -10.2596 -10.2596 -10.1588 -10.1588 -9.7615 -9.7615 -9.6165 -9.6165 -1.0904 -1.0904 -1.0692 -1.0692 7.3626 7.3626 7.5028 7.5028 8.4891 8.4891 8.7280 8.7280 9.2549 9.2549 9.3309 9.3309 13.4379 13.4379 13.8690 13.8690 14.0905 14.0905 15.8818 15.8818 k = 0.5000 0.2887 0.2633 ( 2194 PWs) bands (ev): -30.1602 -30.1602 -30.1262 -30.1262 -11.5127 -11.5127 -11.4451 -11.4451 -10.2590 -10.2590 -10.1523 -10.1523 -9.7742 -9.7742 -9.6170 -9.6170 -1.1148 -1.1148 -1.0916 -1.0916 7.4014 7.4014 7.5643 7.5643 8.5128 8.5128 8.7636 8.7636 9.2630 9.2630 9.3498 9.3498 13.4080 13.4080 13.8420 13.8420 13.9706 13.9706 15.8602 15.8602 k = 0.5000 0.2887 0.2508 ( 2198 PWs) bands (ev): -30.1615 -30.1615 -30.1250 -30.1250 -11.5096 -11.5096 -11.4381 -11.4381 -10.2577 -10.2577 -10.1461 -10.1461 -9.7873 -9.7873 -9.6180 -9.6180 -1.1399 -1.1399 -1.1148 -1.1148 7.4402 7.4402 7.6286 7.6286 8.5406 8.5406 8.8001 8.8001 9.2716 9.2716 9.3700 9.3700 13.3792 13.3792 13.8089 13.8089 13.8536 13.8536 15.8467 15.8467 k = 0.5000 0.2887 0.2382 ( 2190 PWs) bands (ev): -30.1628 -30.1628 -30.1238 -30.1238 -11.5062 -11.5062 -11.4311 -11.4311 -10.2556 -10.2556 -10.1399 -10.1399 -9.8007 -9.8007 -9.6195 -9.6195 -1.1655 -1.1655 -1.1387 -1.1387 7.4787 7.4787 7.6955 7.6955 8.5723 8.5723 8.8374 8.8374 9.2805 9.2805 9.3914 9.3914 13.3515 13.3515 13.7333 13.7333 13.7772 13.7772 15.8407 15.8407 k = 0.5000 0.2887 0.2257 ( 2190 PWs) bands (ev): -30.1640 -30.1640 -30.1227 -30.1227 -11.5025 -11.5025 -11.4241 -11.4241 -10.2527 -10.2527 -10.1339 -10.1339 -9.8143 -9.8143 -9.6216 -9.6216 -1.1915 -1.1915 -1.1628 -1.1628 7.5159 7.5159 7.7642 7.7642 8.6081 8.6081 8.8750 8.8750 9.2898 9.2898 9.4140 9.4140 13.3250 13.3250 13.6212 13.6212 13.7368 13.7368 15.8413 15.8413 k = 0.5000 0.2887 0.2131 ( 2200 PWs) bands (ev): -30.1651 -30.1651 -30.1217 -30.1217 -11.4985 -11.4985 -11.4173 -11.4173 -10.2491 -10.2491 -10.1281 -10.1281 -9.8282 -9.8282 -9.6240 -9.6240 -1.2176 -1.2176 -1.1872 -1.1872 7.5516 7.5516 7.8345 7.8345 8.6476 8.6476 8.9126 8.9126 9.2992 9.2992 9.4377 9.4377 13.2998 13.2998 13.5107 13.5107 13.6956 13.6956 15.8477 15.8477 k = 0.5000 0.2887 0.2006 ( 2206 PWs) bands (ev): -30.1662 -30.1662 -30.1207 -30.1207 -11.4943 -11.4943 -11.4106 -11.4106 -10.2447 -10.2447 -10.1226 -10.1226 -9.8423 -9.8423 -9.6268 -9.6268 -1.2436 -1.2436 -1.2114 -1.2114 7.5853 7.5853 7.9058 7.9058 8.6906 8.6906 8.9497 8.9497 9.3087 9.3087 9.4622 9.4622 13.2759 13.2759 13.4033 13.4033 13.6537 13.6537 15.8587 15.8587 k = 0.5000 0.2887 0.1881 ( 2212 PWs) bands (ev): -30.1673 -30.1673 -30.1197 -30.1197 -11.4900 -11.4900 -11.4041 -11.4041 -10.2395 -10.2395 -10.1172 -10.1172 -9.8567 -9.8567 -9.6299 -9.6299 -1.2691 -1.2691 -1.2352 -1.2352 7.6166 7.6166 7.9776 7.9776 8.7366 8.7366 8.9859 8.9859 9.3183 9.3183 9.4874 9.4874 13.2532 13.2532 13.2996 13.2996 13.6122 13.6122 15.8732 15.8732 k = 0.5000 0.2887 0.1755 ( 2208 PWs) bands (ev): -30.1683 -30.1683 -30.1188 -30.1188 -11.4855 -11.4855 -11.3978 -11.3978 -10.2336 -10.2336 -10.1122 -10.1122 -9.8712 -9.8712 -9.6333 -9.6333 -1.2941 -1.2941 -1.2586 -1.2586 7.6456 7.6456 8.0496 8.0496 8.7851 8.7851 9.0208 9.0208 9.3278 9.3278 9.5132 9.5132 13.1988 13.1988 13.2327 13.2327 13.5721 13.5721 15.8899 15.8899 k = 0.5000 0.2887 0.1630 ( 2208 PWs) bands (ev): -30.1692 -30.1692 -30.1179 -30.1179 -11.4810 -11.4810 -11.3919 -11.3919 -10.2269 -10.2268 -10.1074 -10.1074 -9.8858 -9.8858 -9.6369 -9.6369 -1.3183 -1.3183 -1.2813 -1.2813 7.6720 7.6720 8.1212 8.1212 8.8353 8.8353 9.0536 9.0536 9.3372 9.3372 9.5394 9.5394 13.1032 13.1032 13.2128 13.2128 13.5343 13.5343 15.9061 15.9061 k = 0.5000 0.2887 0.1505 ( 2208 PWs) bands (ev): -30.1701 -30.1701 -30.1171 -30.1171 -11.4765 -11.4765 -11.3862 -11.3862 -10.2194 -10.2194 -10.1029 -10.1029 -9.9005 -9.9005 -9.6406 -9.6406 -1.3415 -1.3415 -1.3030 -1.3030 7.6959 7.6959 8.1920 8.1920 8.8864 8.8864 9.0840 9.0840 9.3465 9.3465 9.5657 9.5657 13.0120 13.0120 13.1944 13.1944 13.4995 13.4995 15.9164 15.9164 k = 0.5000 0.2887 0.1379 ( 2212 PWs) bands (ev): -30.1709 -30.1709 -30.1164 -30.1164 -11.4721 -11.4721 -11.3810 -11.3810 -10.2112 -10.2112 -10.0987 -10.0987 -9.9154 -9.9154 -9.6444 -9.6444 -1.3635 -1.3635 -1.3236 -1.3236 7.7174 7.7174 8.2615 8.2615 8.9375 8.9375 9.1115 9.1115 9.3556 9.3556 9.5918 9.5918 12.9257 12.9257 13.1776 13.1776 13.4683 13.4683 15.9157 15.9157 k = 0.5000 0.2887 0.1254 ( 2204 PWs) bands (ev): -30.1717 -30.1717 -30.1157 -30.1157 -11.4678 -11.4678 -11.3761 -11.3761 -10.2023 -10.2023 -10.0949 -10.0949 -9.9302 -9.9302 -9.6481 -9.6481 -1.3841 -1.3841 -1.3430 -1.3430 7.7364 7.7364 8.3292 8.3292 8.9878 8.9878 9.1355 9.1355 9.3644 9.3644 9.6174 9.6174 12.8447 12.8447 13.1622 13.1622 13.4413 13.4413 15.9088 15.9088 k = 0.5000 0.2887 0.1128 ( 2204 PWs) bands (ev): -30.1724 -30.1724 -30.1151 -30.1151 -11.4637 -11.4637 -11.3716 -11.3716 -10.1927 -10.1927 -10.0913 -10.0913 -9.9452 -9.9452 -9.6518 -9.6518 -1.4033 -1.4033 -1.3610 -1.3610 7.7532 7.7532 8.3947 8.3947 9.0361 9.0361 9.1558 9.1558 9.3730 9.3730 9.6422 9.6422 12.7695 12.7695 13.1483 13.1483 13.4185 13.4185 15.9001 15.9001 k = 0.5000 0.2887 0.1003 ( 2210 PWs) bands (ev): -30.1730 -30.1730 -30.1146 -30.1146 -11.4598 -11.4598 -11.3676 -11.3676 -10.1825 -10.1825 -10.0882 -10.0882 -9.9601 -9.9601 -9.6553 -9.6553 -1.4209 -1.4209 -1.3775 -1.3775 7.7679 7.7679 8.4572 8.4572 9.0816 9.0816 9.1722 9.1722 9.3812 9.3812 9.6659 9.6659 12.7006 12.7006 13.1358 13.1358 13.4000 13.4000 15.8914 15.8914 k = 0.5000 0.2887 0.0878 ( 2208 PWs) bands (ev): -30.1735 -30.1735 -30.1141 -30.1141 -11.4563 -11.4563 -11.3640 -11.3640 -10.1718 -10.1718 -10.0853 -10.0853 -9.9749 -9.9749 -9.6586 -9.6586 -1.4367 -1.4367 -1.3923 -1.3923 7.7805 7.7805 8.5163 8.5163 9.1230 9.1230 9.1849 9.1849 9.3892 9.3892 9.6880 9.6880 12.6384 12.6384 13.1248 13.1248 13.3857 13.3857 15.8833 15.8833 k = 0.5000 0.2887 0.0752 ( 2208 PWs) bands (ev): -30.1740 -30.1740 -30.1136 -30.1136 -11.4531 -11.4531 -11.3608 -11.3608 -10.1606 -10.1606 -10.0829 -10.0829 -9.9897 -9.9897 -9.6616 -9.6616 -1.4506 -1.4506 -1.4054 -1.4054 7.7912 7.7912 8.5712 8.5712 9.1586 9.1586 9.1948 9.1948 9.3969 9.3969 9.7083 9.7083 12.5832 12.5832 13.1153 13.1153 13.3751 13.3751 15.8760 15.8760 k = 0.5000 0.2887 0.0627 ( 2200 PWs) bands (ev): -30.1744 -30.1744 -30.1133 -30.1133 -11.4502 -11.4502 -11.3582 -11.3582 -10.1489 -10.1489 -10.0807 -10.0807 -10.0043 -10.0043 -9.6643 -9.6643 -1.4625 -1.4625 -1.4166 -1.4166 7.8001 7.8001 8.6210 8.6210 9.1828 9.1828 9.2074 9.2074 9.4041 9.4041 9.7262 9.7262 12.5357 12.5357 13.1072 13.1072 13.3678 13.3678 15.8696 15.8696 k = 0.5000 0.2887 0.0502 ( 2194 PWs) bands (ev): -30.1748 -30.1748 -30.1129 -30.1129 -11.4479 -11.4479 -11.3560 -11.3560 -10.1370 -10.1370 -10.0789 -10.0789 -10.0188 -10.0188 -9.6666 -9.6666 -1.4724 -1.4724 -1.4259 -1.4259 7.8073 7.8073 8.6646 8.6646 9.1904 9.1904 9.2278 9.2278 9.4109 9.4109 9.7415 9.7415 12.4961 12.4961 13.1007 13.1007 13.3631 13.3631 15.8644 15.8644 k = 0.5000 0.2887 0.0376 ( 2194 PWs) bands (ev): -30.1750 -30.1750 -30.1127 -30.1127 -11.4460 -11.4460 -11.3543 -11.3543 -10.1251 -10.1251 -10.0772 -10.0772 -10.0328 -10.0328 -9.6684 -9.6684 -1.4801 -1.4801 -1.4332 -1.4332 7.8128 7.8128 8.7008 8.7008 9.1909 9.1909 9.2471 9.2471 9.4168 9.4168 9.7537 9.7537 12.4649 12.4649 13.0956 13.0956 13.3603 13.3603 15.8602 15.8602 k = 0.5000 0.2887 0.0251 ( 2190 PWs) bands (ev): -30.1752 -30.1752 -30.1125 -30.1125 -11.4446 -11.4446 -11.3531 -11.3531 -10.1136 -10.1136 -10.0756 -10.0756 -10.0462 -10.0462 -9.6697 -9.6697 -1.4857 -1.4857 -1.4384 -1.4384 7.8168 7.8168 8.7282 8.7282 9.1893 9.1893 9.2613 9.2613 9.4214 9.4214 9.7628 9.7628 12.4424 12.4424 13.0919 13.0919 13.3588 13.3588 15.8572 15.8572 k = 0.5000 0.2887 0.0125 ( 2190 PWs) bands (ev): -30.1753 -30.1753 -30.1124 -30.1124 -11.4438 -11.4438 -11.3523 -11.3523 -10.1042 -10.1042 -10.0733 -10.0733 -10.0582 -10.0582 -9.6705 -9.6705 -1.4890 -1.4890 -1.4416 -1.4416 7.8191 7.8191 8.7454 8.7454 9.1875 9.1875 9.2698 9.2698 9.4244 9.4244 9.7683 9.7683 12.4287 12.4287 13.0898 13.0898 13.3582 13.3582 15.8554 15.8554 k = 0.5000 0.2887-0.0000 ( 2186 PWs) bands (ev): -30.1753 -30.1753 -30.1124 -30.1124 -11.4435 -11.4435 -11.3521 -11.3521 -10.1000 -10.1000 -10.0698 -10.0698 -10.0659 -10.0659 -9.6707 -9.6707 -1.4902 -1.4902 -1.4426 -1.4426 7.8199 7.8199 8.7512 8.7512 9.1868 9.1868 9.2727 9.2727 9.4255 9.4255 9.7701 9.7701 12.4242 12.4242 13.0891 13.0891 13.3580 13.3580 15.8548 15.8548 k = 0.3333 0.5774-0.0000 ( 2220 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4429 -11.4429 -11.3640 -11.3640 -10.1895 -10.1895 -10.0801 -10.0801 -9.9802 -9.9802 -9.7635 -9.7635 -1.4147 -1.4147 -1.3076 -1.3076 8.6068 8.6068 8.6228 8.6228 8.9251 8.9251 9.2917 9.2917 9.3051 9.3051 10.1722 10.1722 11.1019 11.1019 11.9962 11.9962 15.2035 15.2035 15.9532 15.9532 k = 0.3333 0.5774 0.0125 ( 2214 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4433 -11.4433 -11.3641 -11.3641 -10.1926 -10.1926 -10.0773 -10.0773 -9.9799 -9.9799 -9.7632 -9.7632 -1.4136 -1.4136 -1.3066 -1.3066 8.6045 8.6045 8.6204 8.6204 8.9250 8.9250 9.2890 9.2890 9.3024 9.3024 10.1655 10.1655 11.1109 11.1109 11.9970 11.9970 15.2011 15.2011 15.9543 15.9543 k = 0.3333 0.5774 0.0251 ( 2214 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4445 -11.4445 -11.3645 -11.3645 -10.2010 -10.2010 -10.0696 -10.0696 -9.9789 -9.9789 -9.7623 -9.7623 -1.4103 -1.4103 -1.3034 -1.3034 8.5976 8.5976 8.6132 8.6132 8.9249 8.9249 9.2809 9.2809 9.2945 9.2945 10.1460 10.1460 11.1373 11.1373 11.9994 11.9994 15.1941 15.1941 15.9573 15.9573 k = 0.3333 0.5774 0.0376 ( 2211 PWs) bands (ev): -30.1418 -30.1418 -30.1418 -30.1418 -11.4465 -11.4465 -11.3651 -11.3651 -10.2130 -10.2130 -10.0590 -10.0590 -9.9773 -9.9773 -9.7608 -9.7608 -1.4049 -1.4049 -1.2982 -1.2982 8.5860 8.5860 8.6012 8.6012 8.9246 8.9246 9.2677 9.2677 9.2816 9.2816 10.1156 10.1156 11.1790 11.1790 12.0034 12.0034 15.1824 15.1824 15.9628 15.9628 k = 0.3333 0.5774 0.0502 ( 2211 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.4493 -11.4493 -11.3659 -11.3659 -10.2271 -10.2271 -10.0469 -10.0469 -9.9750 -9.9750 -9.7585 -9.7585 -1.3974 -1.3974 -1.2909 -1.2908 8.5697 8.5697 8.5843 8.5843 8.9242 8.9242 9.2499 9.2499 9.2642 9.2642 10.0770 10.0770 11.2334 11.2334 12.0091 12.0091 15.1664 15.1664 15.9709 15.9709 k = 0.3333 0.5774 0.0627 ( 2217 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.4528 -11.4528 -11.3669 -11.3669 -10.2423 -10.2423 -10.0342 -10.0342 -9.9722 -9.9722 -9.7555 -9.7555 -1.3878 -1.3878 -1.2815 -1.2815 8.5484 8.5484 8.5623 8.5623 8.9237 8.9237 9.2278 9.2278 9.2427 9.2427 10.0326 10.0326 11.2981 11.2981 12.0164 12.0164 15.1461 15.1461 15.9821 15.9821 k = 0.3333 0.5774 0.0752 ( 2217 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.4570 -11.4570 -11.3682 -11.3682 -10.2580 -10.2580 -10.0218 -10.0218 -9.9687 -9.9687 -9.7517 -9.7517 -1.3762 -1.3762 -1.2703 -1.2703 8.5221 8.5221 8.5351 8.5351 8.9230 8.9230 9.2024 9.2024 9.2180 9.2180 9.9842 9.9842 11.3709 11.3709 12.0253 12.0253 15.1220 15.1220 15.9969 15.9969 k = 0.3333 0.5774 0.0878 ( 2211 PWs) bands (ev): -30.1417 -30.1417 -30.1417 -30.1417 -11.4619 -11.4619 -11.3696 -11.3696 -10.2739 -10.2739 -10.0100 -10.0100 -9.9648 -9.9648 -9.7470 -9.7470 -1.3627 -1.3627 -1.2572 -1.2572 8.4906 8.4906 8.5028 8.5028 8.9222 8.9222 9.1744 9.1744 9.1907 9.1907 9.9336 9.9336 11.4501 11.4501 12.0359 12.0359 15.0943 15.0943 16.0156 16.0156 k = 0.3333 0.5774 0.1003 ( 2208 PWs) bands (ev): -30.1416 -30.1416 -30.1416 -30.1416 -11.4673 -11.4673 -11.3713 -11.3713 -10.2897 -10.2897 -9.9991 -9.9991 -9.9604 -9.9604 -9.7413 -9.7413 -1.3473 -1.3473 -1.2423 -1.2423 8.4540 8.4540 8.4652 8.4652 8.9212 8.9212 9.1444 9.1444 9.1616 9.1616 9.8818 9.8818 11.5345 11.5345 12.0481 12.0481 15.0636 15.0636 16.0384 16.0384 k = 0.3333 0.5774 0.1128 ( 2208 PWs) bands (ev): -30.1416 -30.1416 -30.1416 -30.1416 -11.4733 -11.4733 -11.3732 -11.3732 -10.3053 -10.3053 -9.9894 -9.9894 -9.9556 -9.9556 -9.7347 -9.7347 -1.3303 -1.3303 -1.2258 -1.2258 8.4121 8.4121 8.4224 8.4224 8.9200 8.9200 9.1133 9.1133 9.1316 9.1316 9.8296 9.8296 11.6228 11.6228 12.0620 12.0620 15.0302 15.0302 16.0656 16.0656 k = 0.3333 0.5774 0.1254 ( 2202 PWs) bands (ev): -30.1416 -30.1416 -30.1415 -30.1415 -11.4797 -11.4797 -11.3753 -11.3753 -10.3204 -10.3204 -9.9810 -9.9810 -9.9504 -9.9504 -9.7271 -9.7271 -1.3117 -1.3117 -1.2077 -1.2077 8.3652 8.3652 8.3746 8.3746 8.9186 8.9186 9.0817 9.0817 9.1013 9.1013 9.7778 9.7778 11.7143 11.7143 12.0775 12.0775 14.9948 14.9948 16.0973 16.0973 k = 0.3333 0.5774 0.1379 ( 2202 PWs) bands (ev): -30.1415 -30.1415 -30.1415 -30.1415 -11.4865 -11.4865 -11.3776 -11.3776 -10.3350 -10.3350 -9.9738 -9.9738 -9.9449 -9.9449 -9.7186 -9.7186 -1.2916 -1.2916 -1.1882 -1.1882 8.3135 8.3135 8.3220 8.3220 8.9168 8.9168 9.0503 9.0503 9.0714 9.0714 9.7268 9.7268 11.8082 11.8082 12.0947 12.0947 14.9578 14.9578 16.1334 16.1334 k = 0.3333 0.5774 0.1505 ( 2202 PWs) bands (ev): -30.1415 -30.1415 -30.1415 -30.1415 -11.4937 -11.4937 -11.3800 -11.3800 -10.3491 -10.3491 -9.9680 -9.9680 -9.9391 -9.9391 -9.7092 -9.7092 -1.2702 -1.2702 -1.1674 -1.1674 8.2573 8.2573 8.2651 8.2651 8.9144 8.9144 9.0195 9.0195 9.0426 9.0426 9.6769 9.6769 11.9036 11.9036 12.1136 12.1136 14.9200 14.9200 16.1737 16.1737 k = 0.3333 0.5774 0.1630 ( 2202 PWs) bands (ev): -30.1414 -30.1414 -30.1414 -30.1414 -11.5011 -11.5011 -11.3827 -11.3827 -10.3625 -10.3625 -9.9634 -9.9634 -9.9332 -9.9332 -9.6992 -9.6992 -1.2477 -1.2477 -1.1455 -1.1455 8.1974 8.1974 8.2045 8.2045 8.9113 8.9113 8.9896 8.9896 9.0154 9.0154 9.6284 9.6284 11.9999 11.9999 12.1342 12.1342 14.8820 14.8820 16.2182 16.2182 k = 0.3333 0.5774 0.1755 ( 2202 PWs) bands (ev): -30.1414 -30.1414 -30.1414 -30.1414 -11.5087 -11.5087 -11.3854 -11.3854 -10.3752 -10.3752 -9.9600 -9.9600 -9.9271 -9.9271 -9.6886 -9.6886 -1.2242 -1.2242 -1.1227 -1.1227 8.1341 8.1341 8.1407 8.1407 8.9067 8.9067 8.9608 8.9608 8.9909 8.9909 9.5815 9.5815 12.0958 12.0958 12.1570 12.1570 14.8446 14.8446 16.2664 16.2664 k = 0.3333 0.5774 0.1881 ( 2199 PWs) bands (ev): -30.1413 -30.1413 -30.1413 -30.1413 -11.5164 -11.5164 -11.3883 -11.3883 -10.3872 -10.3872 -9.9575 -9.9575 -9.9210 -9.9210 -9.6776 -9.6776 -1.1999 -1.1999 -1.0991 -1.0991 8.0685 8.0685 8.0745 8.0745 8.8996 8.8996 8.9333 8.9333 8.9702 8.9702 9.5363 9.5363 12.1748 12.1748 12.1978 12.1978 14.8088 14.8088 16.3181 16.3181 k = 0.3333 0.5774 0.2006 ( 2208 PWs) bands (ev): -30.1413 -30.1413 -30.1413 -30.1413 -11.5241 -11.5241 -11.3913 -11.3913 -10.3984 -10.3984 -9.9560 -9.9560 -9.9148 -9.9148 -9.6664 -9.6664 -1.1751 -1.1751 -1.0750 -1.0750 8.0010 8.0010 8.0066 8.0066 8.8887 8.8887 8.9072 8.9072 8.9547 8.9547 9.4930 9.4930 12.2035 12.2035 12.2889 12.2889 14.7756 14.7756 16.3728 16.3728 k = 0.3333 0.5774 0.2131 ( 2208 PWs) bands (ev): -30.1412 -30.1412 -30.1412 -30.1412 -11.5319 -11.5319 -11.3943 -11.3943 -10.4089 -10.4089 -9.9553 -9.9553 -9.9087 -9.9087 -9.6551 -9.6551 -1.1500 -1.1500 -1.0505 -1.0505 7.9326 7.9326 7.9379 7.9379 8.8739 8.8739 8.8825 8.8825 8.9446 8.9446 9.4514 9.4514 12.2307 12.2307 12.3807 12.3807 14.7459 14.7459 16.4301 16.4301 k = 0.3333 0.5774 0.2257 ( 2208 PWs) bands (ev): -30.1412 -30.1412 -30.1412 -30.1412 -11.5395 -11.5395 -11.3974 -11.3974 -10.4186 -10.4186 -9.9552 -9.9552 -9.9027 -9.9027 -9.6439 -9.6439 -1.1247 -1.1247 -1.0259 -1.0259 7.8640 7.8640 7.8691 7.8691 8.8564 8.8564 8.8593 8.8593 8.9388 8.9388 9.4119 9.4119 12.2592 12.2592 12.4691 12.4691 14.7211 14.7211 16.4894 16.4894 k = 0.3333 0.5774 0.2382 ( 2208 PWs) bands (ev): -30.1411 -30.1411 -30.1411 -30.1411 -11.5469 -11.5469 -11.4005 -11.4005 -10.4276 -10.4276 -9.9556 -9.9556 -9.8968 -9.8968 -9.6329 -9.6329 -1.0995 -1.0995 -1.0014 -1.0014 7.7961 7.7961 7.8010 7.8010 8.8374 8.8374 8.8380 8.8380 8.9356 8.9356 9.3744 9.3744 12.2891 12.2891 12.5528 12.5528 14.7026 14.7026 16.5503 16.5503 k = 0.3333 0.5774 0.2508 ( 2211 PWs) bands (ev): -30.1411 -30.1411 -30.1411 -30.1411 -11.5541 -11.5541 -11.4036 -11.4036 -10.4358 -10.4358 -9.9564 -9.9564 -9.8911 -9.8911 -9.6223 -9.6223 -1.0747 -1.0747 -0.9772 -0.9772 7.7295 7.7295 7.7342 7.7342 8.8169 8.8169 8.8197 8.8197 8.9341 8.9341 9.3389 9.3389 12.3204 12.3204 12.6303 12.6303 14.6918 14.6918 16.6120 16.6120 k = 0.3333 0.5774 0.2633 ( 2217 PWs) bands (ev): -30.1410 -30.1410 -30.1410 -30.1410 -11.5610 -11.5610 -11.4066 -11.4066 -10.4432 -10.4432 -9.9575 -9.9575 -9.8856 -9.8856 -9.6121 -9.6121 -1.0504 -1.0504 -0.9535 -0.9535 7.6648 7.6648 7.6694 7.6694 8.7979 8.7979 8.8020 8.8020 8.9336 8.9336 9.3054 9.3054 12.3530 12.3530 12.7002 12.7002 14.6902 14.6902 16.6739 16.6739 k = 0.3333 0.5774 0.2758 ( 2220 PWs) bands (ev): -30.1410 -30.1410 -30.1410 -30.1410 -11.5676 -11.5676 -11.4096 -11.4096 -10.4500 -10.4500 -9.9589 -9.9589 -9.8805 -9.8805 -9.6024 -9.6024 -1.0270 -1.0270 -0.9307 -0.9306 7.6029 7.6029 7.6074 7.6074 8.7803 8.7803 8.7853 8.7853 8.9340 8.9340 9.2740 9.2740 12.3869 12.3869 12.7612 12.7612 14.6993 14.6993 16.7354 16.7354 k = 0.3333 0.5774 0.2884 ( 2220 PWs) bands (ev): -30.1409 -30.1409 -30.1409 -30.1409 -11.5738 -11.5738 -11.4124 -11.4124 -10.4560 -10.4560 -9.9604 -9.9604 -9.8756 -9.8756 -9.5934 -9.5934 -1.0046 -1.0046 -0.9088 -0.9088 7.5442 7.5442 7.5486 7.5486 8.7642 8.7642 8.7697 8.7697 8.9351 8.9351 9.2446 9.2446 12.4219 12.4219 12.8121 12.8121 14.7203 14.7203 16.7958 16.7958 k = 0.3333 0.5774 0.3009 ( 2214 PWs) bands (ev): -30.1409 -30.1409 -30.1409 -30.1409 -11.5796 -11.5796 -11.4150 -11.4150 -10.4613 -10.4613 -9.9619 -9.9619 -9.8711 -9.8711 -9.5850 -9.5850 -0.9835 -0.9835 -0.8882 -0.8882 7.4893 7.4893 7.4937 7.4937 8.7495 8.7495 8.7554 8.7554 8.9369 8.9369 9.2174 9.2174 12.4579 12.4579 12.8521 12.8521 14.7541 14.7541 16.7440 16.7440 k = 0.3333 0.5774 0.3134 ( 2214 PWs) bands (ev): -30.1409 -30.1409 -30.1408 -30.1408 -11.5848 -11.5848 -11.4175 -11.4175 -10.4660 -10.4660 -9.9635 -9.9635 -9.8670 -9.8670 -9.5774 -9.5774 -0.9639 -0.9639 -0.8691 -0.8691 7.4388 7.4388 7.4432 7.4432 8.7363 8.7363 8.7425 8.7425 8.9392 8.9392 9.1922 9.1922 12.4948 12.4948 12.8809 12.8809 14.8009 14.8009 16.6111 16.6111 k = 0.3333 0.5774 0.3260 ( 2214 PWs) bands (ev): -30.1408 -30.1408 -30.1408 -30.1408 -11.5895 -11.5895 -11.4198 -11.4198 -10.4701 -10.4701 -9.9650 -9.9650 -9.8633 -9.8633 -9.5705 -9.5705 -0.9460 -0.9460 -0.8517 -0.8517 7.3932 7.3932 7.3975 7.3975 8.7246 8.7246 8.7309 8.7309 8.9420 8.9420 9.1692 9.1692 12.5324 12.5324 12.8986 12.8986 14.8607 14.8607 16.4771 16.4771 k = 0.3333 0.5774 0.3385 ( 2190 PWs) bands (ev): -30.1408 -30.1408 -30.1408 -30.1408 -11.5937 -11.5937 -11.4218 -11.4218 -10.4735 -10.4735 -9.9664 -9.9664 -9.8601 -9.8601 -9.5645 -9.5645 -0.9301 -0.9301 -0.8361 -0.8361 7.3527 7.3527 7.3571 7.3571 8.7145 8.7145 8.7209 8.7209 8.9454 8.9454 9.1485 9.1485 12.5705 12.5705 12.9060 12.9060 14.9330 14.9330 16.3428 16.3428 k = 0.3333 0.5774 0.3511 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.5973 -11.5973 -11.4236 -11.4236 -10.4764 -10.4764 -9.9677 -9.9677 -9.8573 -9.8573 -9.5594 -9.5594 -0.9162 -0.9162 -0.8226 -0.8226 7.3179 7.3179 7.3222 7.3222 8.7058 8.7058 8.7123 8.7123 8.9490 8.9490 9.1301 9.1301 12.6087 12.6087 12.9039 12.9039 15.0163 15.0163 16.2086 16.2086 k = 0.3333 0.5774 0.3636 ( 2193 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6002 -11.6002 -11.4250 -11.4250 -10.4788 -10.4787 -9.9688 -9.9688 -9.8550 -9.8550 -9.5551 -9.5551 -0.9047 -0.9047 -0.8114 -0.8114 7.2889 7.2889 7.2932 7.2932 8.6987 8.6987 8.7052 8.7052 8.9527 8.9527 9.1142 9.1142 12.6468 12.6468 12.8938 12.8938 15.1097 15.1097 16.0750 16.0750 k = 0.3333 0.5774 0.3761 ( 2193 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6026 -11.6026 -11.4262 -11.4262 -10.4805 -10.4805 -9.9696 -9.9696 -9.8532 -9.8532 -9.5518 -9.5518 -0.8956 -0.8956 -0.8025 -0.8025 7.2661 7.2661 7.2704 7.2704 8.6931 8.6931 8.6996 8.6996 8.9564 8.9564 9.1011 9.1011 12.6843 12.6843 12.8770 12.8770 15.2117 15.2117 15.9427 15.9427 k = 0.3333 0.5774 0.3887 ( 2196 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6042 -11.6042 -11.4271 -11.4270 -10.4818 -10.4818 -9.9703 -9.9703 -9.8519 -9.8519 -9.5494 -9.5494 -0.8890 -0.8890 -0.7960 -0.7960 7.2497 7.2497 7.2540 7.2540 8.6892 8.6892 8.6957 8.6957 8.9595 8.9595 9.0912 9.0912 12.7204 12.7204 12.8550 12.8550 15.3210 15.3210 15.8123 15.8123 k = 0.3333 0.5774 0.4012 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6052 -11.6052 -11.4276 -11.4276 -10.4826 -10.4826 -9.9707 -9.9707 -9.8511 -9.8511 -9.5480 -9.5480 -0.8850 -0.8850 -0.7921 -0.7921 7.2398 7.2398 7.2441 7.2441 8.6868 8.6868 8.6933 8.6933 8.9616 8.9616 9.0850 9.0850 12.7534 12.7534 12.8301 12.8301 15.4359 15.4359 15.6850 15.6850 k = 0.3333 0.5774 0.4137 ( 2190 PWs) bands (ev): -30.1407 -30.1407 -30.1407 -30.1407 -11.6056 -11.6056 -11.4277 -11.4277 -10.4828 -10.4828 -9.9708 -9.9708 -9.8508 -9.8508 -9.5475 -9.5475 -0.8837 -0.8837 -0.7908 -0.7908 7.2365 7.2365 7.2408 7.2408 8.6860 8.6860 8.6925 8.6925 8.9624 8.9624 9.0829 9.0829 12.7727 12.7727 12.8136 12.8136 15.5378 15.5378 15.5790 15.5790 Writing output data file YN.save init_run : 3.96s CPU 13.41s WALL ( 1 calls) electrons : 311.90s CPU 316.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 311.88s CPU 316.24s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.83s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.54s WALL ( 1 calls) newd : 0.21s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 360 calls) cegterg : 288.90s CPU 290.87s WALL ( 844 calls) Called by sum_band: Called by *egterg: h_psi : 107.67s CPU 114.21s WALL ( 14320 calls) s_psi : 13.06s CPU 13.79s WALL ( 14320 calls) g_psi : 0.23s CPU 0.36s WALL ( 13116 calls) cdiaghg : 130.30s CPU 127.61s WALL ( 13476 calls) cegterg:over : 24.47s CPU 21.50s WALL ( 13116 calls) cegterg:upda : 2.32s CPU 4.78s WALL ( 13116 calls) cegterg:last : 2.58s CPU 3.28s WALL ( 1934 calls) Called by h_psi: h_psi:vloc : 81.25s CPU 87.18s WALL ( 14320 calls) h_psi:vnl : 26.32s CPU 26.69s WALL ( 14320 calls) add_vuspsi : 7.22s CPU 10.34s WALL ( 14320 calls) General routines calbec : 19.07s CPU 16.23s WALL ( 14320 calls) fft : 0.50s CPU 1.42s WALL ( 19 calls) ffts : 0.00s CPU 0.04s WALL ( 4 calls) fftw : 76.94s CPU 80.29s WALL ( 962664 calls) interpolate : 0.12s CPU 0.18s WALL ( 4 calls) davcio : 0.04s CPU 0.69s WALL ( 720 calls) Parallel routines fft_scatter : 64.55s CPU 64.16s WALL ( 962687 calls) PWSCF : 5m50.73s CPU 6m59.18s WALL This run was terminated on: 22:38:16 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=