Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2LiN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 45 12 1547 1547 230 Max 46 46 13 1552 1552 235 Sum 1627 1627 463 55725 55725 8373 bravais-lattice index = 14 lattice parameter (alat) = 7.5589 a.u. unit-cell volume = 392.7321 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.558904 celldm(2)= 1.000000 celldm(3)= 1.050000 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 1.050000 ) 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 0.952381 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for N read from file: /users/gautes/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 atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Na 9.00 22.98980 Na( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0026667 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0026667 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0026667 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0026667 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0026667 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0026667 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0026667 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0026667 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0026667 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0026667 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0026667 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0026667 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0026667 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0026667 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0026667 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0026667 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0026667 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0026667 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0026667 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0026667 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0026667 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0026667 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0026667 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0026667 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0026667 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0026667 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0026667 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0026667 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0026667 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0026667 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0026667 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0026667 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026667 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0026667 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0026667 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0026667 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0026667 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0026667 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0026667 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0026667 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0026667 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0026667 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0026667 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0026667 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0026667 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0026667 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0026667 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0026667 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0026667 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0026667 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0026667 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0026667 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0026667 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0026667 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0026667 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0026667 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0026667 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0026667 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0026667 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0026667 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0026667 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0026667 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0026667 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0026667 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0026667 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0026667 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0026667 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0026667 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0026667 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0026667 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0026667 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0026667 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0026667 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0026667 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0026667 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0026667 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0026667 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0026667 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0026667 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0026667 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0026667 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0026667 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0026667 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0026667 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0026667 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 131) = ( 0.0000000 0.0000000 0.0125313), wk = 0.0026667 k( 132) = ( 0.0000000 0.0000000 0.0250627), wk = 0.0026667 k( 133) = ( 0.0000000 0.0000000 0.0375940), wk = 0.0026667 k( 134) = ( 0.0000000 0.0000000 0.0501253), wk = 0.0026667 k( 135) = ( 0.0000000 0.0000000 0.0626566), wk = 0.0026667 k( 136) = ( 0.0000000 0.0000000 0.0751880), wk = 0.0026667 k( 137) = ( 0.0000000 0.0000000 0.0877193), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.1002506), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.1127820), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.1253133), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.1378446), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.1503759), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.1629073), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.1754386), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.1879699), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.2005013), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.2130326), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.2255639), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.2506266), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.2756892), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.2882206), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.3007519), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.3132832), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.3258145), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.3383459), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.3508772), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.3634085), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.3759398), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.3884712), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.4010025), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.4135338), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.4260652), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.4385965), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.4511278), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.4636592), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0026667 k( 170) = ( 0.0108696 0.0062755 0.4761905), wk = 0.0026667 k( 171) = ( 0.0217391 0.0125511 0.4761905), wk = 0.0026667 k( 172) = ( 0.0326087 0.0188266 0.4761905), wk = 0.0026667 k( 173) = ( 0.0434783 0.0251022 0.4761905), wk = 0.0026667 k( 174) = ( 0.0543478 0.0313777 0.4761905), wk = 0.0026667 k( 175) = ( 0.0652174 0.0376533 0.4761905), wk = 0.0026667 k( 176) = ( 0.0760870 0.0439288 0.4761905), wk = 0.0026667 k( 177) = ( 0.0869565 0.0502044 0.4761905), wk = 0.0026667 k( 178) = ( 0.0978261 0.0564799 0.4761905), wk = 0.0026667 k( 179) = ( 0.1086957 0.0627555 0.4761905), wk = 0.0026667 k( 180) = ( 0.1195652 0.0690310 0.4761905), wk = 0.0026667 k( 181) = ( 0.1304348 0.0753066 0.4761905), wk = 0.0026667 k( 182) = ( 0.1413043 0.0815821 0.4761905), wk = 0.0026667 k( 183) = ( 0.1521739 0.0878576 0.4761905), wk = 0.0026667 k( 184) = ( 0.1630435 0.0941332 0.4761905), wk = 0.0026667 k( 185) = ( 0.1739130 0.1004087 0.4761905), wk = 0.0026667 k( 186) = ( 0.1847826 0.1066843 0.4761905), wk = 0.0026667 k( 187) = ( 0.1956522 0.1129598 0.4761905), wk = 0.0026667 k( 188) = ( 0.2065217 0.1192354 0.4761905), wk = 0.0026667 k( 189) = ( 0.2173913 0.1255109 0.4761905), wk = 0.0026667 k( 190) = ( 0.2282609 0.1317865 0.4761905), wk = 0.0026667 k( 191) = ( 0.2391304 0.1380620 0.4761905), wk = 0.0026667 k( 192) = ( 0.2500000 0.1443376 0.4761905), wk = 0.0026667 k( 193) = ( 0.2608696 0.1506131 0.4761905), wk = 0.0026667 k( 194) = ( 0.2717391 0.1568887 0.4761905), wk = 0.0026667 k( 195) = ( 0.2826087 0.1631642 0.4761905), wk = 0.0026667 k( 196) = ( 0.2934783 0.1694398 0.4761905), wk = 0.0026667 k( 197) = ( 0.3043478 0.1757153 0.4761905), wk = 0.0026667 k( 198) = ( 0.3152174 0.1819908 0.4761905), wk = 0.0026667 k( 199) = ( 0.3260870 0.1882664 0.4761905), wk = 0.0026667 k( 200) = ( 0.3369565 0.1945419 0.4761905), wk = 0.0026667 k( 201) = ( 0.3478261 0.2008175 0.4761905), wk = 0.0026667 k( 202) = ( 0.3586956 0.2070930 0.4761905), wk = 0.0026667 k( 203) = ( 0.3695652 0.2133686 0.4761905), wk = 0.0026667 k( 204) = ( 0.3804348 0.2196441 0.4761905), wk = 0.0026667 k( 205) = ( 0.3913044 0.2259197 0.4761905), wk = 0.0026667 k( 206) = ( 0.4021739 0.2321952 0.4761905), wk = 0.0026667 k( 207) = ( 0.4130435 0.2384708 0.4761905), wk = 0.0026667 k( 208) = ( 0.4239130 0.2447463 0.4761905), wk = 0.0026667 k( 209) = ( 0.4347826 0.2510219 0.4761905), wk = 0.0026667 k( 210) = ( 0.4456522 0.2572974 0.4761905), wk = 0.0026667 k( 211) = ( 0.4565217 0.2635729 0.4761905), wk = 0.0026667 k( 212) = ( 0.4673913 0.2698485 0.4761905), wk = 0.0026667 k( 213) = ( 0.4782609 0.2761240 0.4761905), wk = 0.0026667 k( 214) = ( 0.4891304 0.2823996 0.4761905), wk = 0.0026667 k( 215) = ( 0.5000000 0.2886751 0.4761905), wk = 0.0026667 k( 216) = ( 0.5000000 0.2886751 0.4761905), wk = 0.0026667 k( 217) = ( 0.4938272 0.2993668 0.4761905), wk = 0.0026667 k( 218) = ( 0.4876543 0.3100585 0.4761905), wk = 0.0026667 k( 219) = ( 0.4814815 0.3207502 0.4761905), wk = 0.0026667 k( 220) = ( 0.4753086 0.3314418 0.4761905), wk = 0.0026667 k( 221) = ( 0.4691358 0.3421335 0.4761905), wk = 0.0026667 k( 222) = ( 0.4629630 0.3528252 0.4761905), wk = 0.0026667 k( 223) = ( 0.4567901 0.3635168 0.4761905), wk = 0.0026667 k( 224) = ( 0.4506173 0.3742085 0.4761905), wk = 0.0026667 k( 225) = ( 0.4444444 0.3849002 0.4761905), wk = 0.0026667 k( 226) = ( 0.4382716 0.3955918 0.4761905), wk = 0.0026667 k( 227) = ( 0.4320988 0.4062835 0.4761905), wk = 0.0026667 k( 228) = ( 0.4259259 0.4169752 0.4761905), wk = 0.0026667 k( 229) = ( 0.4197531 0.4276669 0.4761905), wk = 0.0026667 k( 230) = ( 0.4135802 0.4383585 0.4761905), wk = 0.0026667 k( 231) = ( 0.4074074 0.4490502 0.4761905), wk = 0.0026667 k( 232) = ( 0.4012346 0.4597419 0.4761905), wk = 0.0026667 k( 233) = ( 0.3950617 0.4704335 0.4761905), wk = 0.0026667 k( 234) = ( 0.3888889 0.4811252 0.4761905), wk = 0.0026667 k( 235) = ( 0.3827160 0.4918169 0.4761905), wk = 0.0026667 k( 236) = ( 0.3765432 0.5025086 0.4761905), wk = 0.0026667 k( 237) = ( 0.3703704 0.5132002 0.4761905), wk = 0.0026667 k( 238) = ( 0.3641975 0.5238919 0.4761905), wk = 0.0026667 k( 239) = ( 0.3580247 0.5345836 0.4761905), wk = 0.0026667 k( 240) = ( 0.3518519 0.5452753 0.4761905), wk = 0.0026667 k( 241) = ( 0.3456790 0.5559669 0.4761905), wk = 0.0026667 k( 242) = ( 0.3395062 0.5666586 0.4761905), wk = 0.0026667 k( 243) = ( 0.3333333 0.5773503 0.4761905), wk = 0.0026667 k( 244) = ( 0.3333333 0.5773503 0.4761905), wk = 0.0026667 k( 245) = ( 0.3270440 0.5664569 0.4761905), wk = 0.0026667 k( 246) = ( 0.3207547 0.5555635 0.4761905), wk = 0.0026667 k( 247) = ( 0.3144654 0.5446701 0.4761905), wk = 0.0026667 k( 248) = ( 0.3081761 0.5337767 0.4761905), wk = 0.0026667 k( 249) = ( 0.3018868 0.5228833 0.4761905), wk = 0.0026667 k( 250) = ( 0.2955975 0.5119899 0.4761905), wk = 0.0026667 k( 251) = ( 0.2893082 0.5010965 0.4761905), wk = 0.0026667 k( 252) = ( 0.2830189 0.4902031 0.4761905), wk = 0.0026667 k( 253) = ( 0.2767296 0.4793097 0.4761905), wk = 0.0026667 k( 254) = ( 0.2704402 0.4684163 0.4761905), wk = 0.0026667 k( 255) = ( 0.2641509 0.4575228 0.4761905), wk = 0.0026667 k( 256) = ( 0.2578616 0.4466295 0.4761905), wk = 0.0026667 k( 257) = ( 0.2515723 0.4357361 0.4761905), wk = 0.0026667 k( 258) = ( 0.2452830 0.4248427 0.4761905), wk = 0.0026667 k( 259) = ( 0.2389937 0.4139492 0.4761905), wk = 0.0026667 k( 260) = ( 0.2327044 0.4030558 0.4761905), wk = 0.0026667 k( 261) = ( 0.2264151 0.3921624 0.4761905), wk = 0.0026667 k( 262) = ( 0.2201258 0.3812691 0.4761905), wk = 0.0026667 k( 263) = ( 0.2138365 0.3703756 0.4761905), wk = 0.0026667 k( 264) = ( 0.2075472 0.3594822 0.4761905), wk = 0.0026667 k( 265) = ( 0.2012579 0.3485888 0.4761905), wk = 0.0026667 k( 266) = ( 0.1949685 0.3376954 0.4761905), wk = 0.0026667 k( 267) = ( 0.1886792 0.3268020 0.4761905), wk = 0.0026667 k( 268) = ( 0.1823899 0.3159086 0.4761905), wk = 0.0026667 k( 269) = ( 0.1761006 0.3050152 0.4761905), wk = 0.0026667 k( 270) = ( 0.1698113 0.2941218 0.4761905), wk = 0.0026667 k( 271) = ( 0.1635220 0.2832284 0.4761905), wk = 0.0026667 k( 272) = ( 0.1572327 0.2723350 0.4761905), wk = 0.0026667 k( 273) = ( 0.1509434 0.2614416 0.4761905), wk = 0.0026667 k( 274) = ( 0.1446541 0.2505482 0.4761905), wk = 0.0026667 k( 275) = ( 0.1383648 0.2396548 0.4761905), wk = 0.0026667 k( 276) = ( 0.1320755 0.2287614 0.4761905), wk = 0.0026667 k( 277) = ( 0.1257862 0.2178680 0.4761905), wk = 0.0026667 k( 278) = ( 0.1194969 0.2069746 0.4761905), wk = 0.0026667 k( 279) = ( 0.1132076 0.1960812 0.4761905), wk = 0.0026667 k( 280) = ( 0.1069182 0.1851878 0.4761905), wk = 0.0026667 k( 281) = ( 0.1006289 0.1742944 0.4761905), wk = 0.0026667 k( 282) = ( 0.0943396 0.1634010 0.4761905), wk = 0.0026667 k( 283) = ( 0.0880503 0.1525076 0.4761905), wk = 0.0026667 k( 284) = ( 0.0817610 0.1416142 0.4761905), wk = 0.0026667 k( 285) = ( 0.0754717 0.1307208 0.4761905), wk = 0.0026667 k( 286) = ( 0.0691824 0.1198274 0.4761905), wk = 0.0026667 k( 287) = ( 0.0628931 0.1089340 0.4761905), wk = 0.0026667 k( 288) = ( 0.0566038 0.0980406 0.4761905), wk = 0.0026667 k( 289) = ( 0.0503145 0.0871472 0.4761905), wk = 0.0026667 k( 290) = ( 0.0440252 0.0762538 0.4761905), wk = 0.0026667 k( 291) = ( 0.0377359 0.0653604 0.4761905), wk = 0.0026667 k( 292) = ( 0.0314465 0.0544670 0.4761905), wk = 0.0026667 k( 293) = ( 0.0251572 0.0435736 0.4761905), wk = 0.0026667 k( 294) = ( 0.0188679 0.0326802 0.4761905), wk = 0.0026667 k( 295) = ( 0.0125786 0.0217868 0.4761905), wk = 0.0026667 k( 296) = ( 0.0062893 0.0108934 0.4761905), wk = 0.0026667 k( 297) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0026667 k( 298) = ( 0.5000000 0.2886751 0.4761905), wk = 0.0026667 k( 299) = ( 0.5000000 0.2886751 0.4636592), wk = 0.0026667 k( 300) = ( 0.5000000 0.2886751 0.4511278), wk = 0.0026667 k( 301) = ( 0.5000000 0.2886751 0.4385965), wk = 0.0026667 k( 302) = ( 0.5000000 0.2886751 0.4260652), wk = 0.0026667 k( 303) = ( 0.5000000 0.2886751 0.4135338), wk = 0.0026667 k( 304) = ( 0.5000000 0.2886751 0.4010025), wk = 0.0026667 k( 305) = ( 0.5000000 0.2886751 0.3884712), wk = 0.0026667 k( 306) = ( 0.5000000 0.2886751 0.3759398), wk = 0.0026667 k( 307) = ( 0.5000000 0.2886751 0.3634085), wk = 0.0026667 k( 308) = ( 0.5000000 0.2886751 0.3508772), wk = 0.0026667 k( 309) = ( 0.5000000 0.2886751 0.3383459), wk = 0.0026667 k( 310) = ( 0.5000000 0.2886751 0.3258145), wk = 0.0026667 k( 311) = ( 0.5000000 0.2886751 0.3132832), wk = 0.0026667 k( 312) = ( 0.5000000 0.2886751 0.3007519), wk = 0.0026667 k( 313) = ( 0.5000000 0.2886751 0.2882206), wk = 0.0026667 k( 314) = ( 0.5000000 0.2886751 0.2756892), wk = 0.0026667 k( 315) = ( 0.5000000 0.2886751 0.2631579), wk = 0.0026667 k( 316) = ( 0.5000000 0.2886751 0.2506266), wk = 0.0026667 k( 317) = ( 0.5000000 0.2886751 0.2380952), wk = 0.0026667 k( 318) = ( 0.5000000 0.2886751 0.2255639), wk = 0.0026667 k( 319) = ( 0.5000000 0.2886751 0.2130326), wk = 0.0026667 k( 320) = ( 0.5000000 0.2886751 0.2005013), wk = 0.0026667 k( 321) = ( 0.5000000 0.2886751 0.1879699), wk = 0.0026667 k( 322) = ( 0.5000000 0.2886751 0.1754386), wk = 0.0026667 k( 323) = ( 0.5000000 0.2886751 0.1629073), wk = 0.0026667 k( 324) = ( 0.5000000 0.2886751 0.1503759), wk = 0.0026667 k( 325) = ( 0.5000000 0.2886751 0.1378446), wk = 0.0026667 k( 326) = ( 0.5000000 0.2886751 0.1253133), wk = 0.0026667 k( 327) = ( 0.5000000 0.2886751 0.1127820), wk = 0.0026667 k( 328) = ( 0.5000000 0.2886751 0.1002506), wk = 0.0026667 k( 329) = ( 0.5000000 0.2886751 0.0877193), wk = 0.0026667 k( 330) = ( 0.5000000 0.2886751 0.0751880), wk = 0.0026667 k( 331) = ( 0.5000000 0.2886751 0.0626566), wk = 0.0026667 k( 332) = ( 0.5000000 0.2886751 0.0501253), wk = 0.0026667 k( 333) = ( 0.5000000 0.2886751 0.0375940), wk = 0.0026667 k( 334) = ( 0.5000000 0.2886751 0.0250627), wk = 0.0026667 k( 335) = ( 0.5000000 0.2886751 0.0125313), wk = 0.0026667 k( 336) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 337) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 338) = ( 0.3333333 0.5773503 0.0125313), wk = 0.0026667 k( 339) = ( 0.3333333 0.5773503 0.0250627), wk = 0.0026667 k( 340) = ( 0.3333333 0.5773503 0.0375940), wk = 0.0026667 k( 341) = ( 0.3333333 0.5773503 0.0501253), wk = 0.0026667 k( 342) = ( 0.3333333 0.5773503 0.0626566), wk = 0.0026667 k( 343) = ( 0.3333333 0.5773503 0.0751880), wk = 0.0026667 k( 344) = ( 0.3333333 0.5773503 0.0877193), wk = 0.0026667 k( 345) = ( 0.3333333 0.5773503 0.1002506), wk = 0.0026667 k( 346) = ( 0.3333333 0.5773503 0.1127820), wk = 0.0026667 k( 347) = ( 0.3333333 0.5773503 0.1253133), wk = 0.0026667 k( 348) = ( 0.3333333 0.5773503 0.1378446), wk = 0.0026667 k( 349) = ( 0.3333333 0.5773503 0.1503759), wk = 0.0026667 k( 350) = ( 0.3333333 0.5773503 0.1629073), wk = 0.0026667 k( 351) = ( 0.3333333 0.5773503 0.1754386), wk = 0.0026667 k( 352) = ( 0.3333333 0.5773503 0.1879699), wk = 0.0026667 k( 353) = ( 0.3333333 0.5773503 0.2005013), wk = 0.0026667 k( 354) = ( 0.3333333 0.5773503 0.2130326), wk = 0.0026667 k( 355) = ( 0.3333333 0.5773503 0.2255639), wk = 0.0026667 k( 356) = ( 0.3333333 0.5773503 0.2380952), wk = 0.0026667 k( 357) = ( 0.3333333 0.5773503 0.2506266), wk = 0.0026667 k( 358) = ( 0.3333333 0.5773503 0.2631579), wk = 0.0026667 k( 359) = ( 0.3333333 0.5773503 0.2756892), wk = 0.0026667 k( 360) = ( 0.3333333 0.5773503 0.2882206), wk = 0.0026667 k( 361) = ( 0.3333333 0.5773503 0.3007519), wk = 0.0026667 k( 362) = ( 0.3333333 0.5773503 0.3132832), wk = 0.0026667 k( 363) = ( 0.3333333 0.5773503 0.3258145), wk = 0.0026667 k( 364) = ( 0.3333333 0.5773503 0.3383459), wk = 0.0026667 k( 365) = ( 0.3333333 0.5773503 0.3508772), wk = 0.0026667 k( 366) = ( 0.3333333 0.5773503 0.3634085), wk = 0.0026667 k( 367) = ( 0.3333333 0.5773503 0.3759398), wk = 0.0026667 k( 368) = ( 0.3333333 0.5773503 0.3884712), wk = 0.0026667 k( 369) = ( 0.3333333 0.5773503 0.4010025), wk = 0.0026667 k( 370) = ( 0.3333333 0.5773503 0.4135338), wk = 0.0026667 k( 371) = ( 0.3333333 0.5773503 0.4260652), wk = 0.0026667 k( 372) = ( 0.3333333 0.5773503 0.4385965), wk = 0.0026667 k( 373) = ( 0.3333333 0.5773503 0.4511278), wk = 0.0026667 k( 374) = ( 0.3333333 0.5773503 0.4636592), wk = 0.0026667 k( 375) = ( 0.3333333 0.5773503 0.4761905), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0026667 k( 3) = ( 0.0217391 0.0000000 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0434783 0.0000000 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0543478 0.0000000 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0760870 0.0000000 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0869565 0.0000000 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0978261 0.0000000 -0.0000000), wk = 0.0026667 k( 11) = ( 0.1086957 0.0000000 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1195652 0.0000000 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1413043 0.0000000 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1630435 0.0000000 -0.0000000), wk = 0.0026667 k( 17) = ( 0.1739130 0.0000000 -0.0000000), wk = 0.0026667 k( 18) = ( 0.1847826 0.0000000 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1956522 0.0000000 -0.0000000), wk = 0.0026667 k( 20) = ( 0.2065217 0.0000000 -0.0000000), wk = 0.0026667 k( 21) = ( 0.2173913 0.0000000 -0.0000000), wk = 0.0026667 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0026667 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0026667 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026667 k( 25) = ( 0.2608696 0.0000000 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0026667 k( 27) = ( 0.2826087 0.0000000 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2934783 0.0000000 -0.0000000), wk = 0.0026667 k( 29) = ( 0.3043478 0.0000000 -0.0000000), wk = 0.0026667 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0026667 k( 31) = ( 0.3260870 0.0000000 -0.0000000), wk = 0.0026667 k( 32) = ( 0.3369565 0.0000000 -0.0000000), wk = 0.0026667 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0026667 k( 34) = ( 0.3586956 0.0000000 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3695652 0.0000000 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3804348 0.0000000 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3913044 0.0000000 -0.0000000), wk = 0.0026667 k( 38) = ( 0.4021739 0.0000000 -0.0000000), wk = 0.0026667 k( 39) = ( 0.4130435 0.0000000 -0.0000000), wk = 0.0026667 k( 40) = ( 0.4239130 0.0000000 -0.0000000), wk = 0.0026667 k( 41) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0026667 k( 42) = ( 0.4456522 0.0000000 -0.0000000), wk = 0.0026667 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4782609 0.0000000 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4891304 0.0000000 -0.0000000), wk = 0.0026667 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0026667 k( 50) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0026667 k( 51) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0026667 k( 52) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0026667 k( 53) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0026667 k( 55) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0026667 k( 56) = ( 0.4506173 0.0987654 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0026667 k( 59) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0026667 k( 60) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0026667 k( 64) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0026667 k( 65) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0026667 k( 66) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0026667 k( 67) = ( 0.3827160 0.2345679 -0.0000000), wk = 0.0026667 k( 68) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0026667 k( 69) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0026667 k( 70) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0026667 k( 72) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0026667 k( 73) = ( 0.3456790 0.3086420 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0026667 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 77) = ( 0.3270440 0.3270440 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0026667 k( 79) = ( 0.3144654 0.3144654 0.0000000), wk = 0.0026667 k( 80) = ( 0.3081761 0.3081761 0.0000000), wk = 0.0026667 k( 81) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0026667 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0026667 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0026667 k( 84) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0026667 k( 85) = ( 0.2767296 0.2767296 0.0000000), wk = 0.0026667 k( 86) = ( 0.2704402 0.2704403 -0.0000000), wk = 0.0026667 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0026667 k( 88) = ( 0.2578616 0.2578616 -0.0000000), wk = 0.0026667 k( 89) = ( 0.2515723 0.2515723 0.0000000), wk = 0.0026667 k( 90) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0026667 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0026667 k( 92) = ( 0.2327044 0.2327044 -0.0000000), wk = 0.0026667 k( 93) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026667 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0026667 k( 95) = ( 0.2138365 0.2138365 0.0000000), wk = 0.0026667 k( 96) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0026667 k( 97) = ( 0.2012579 0.2012579 0.0000000), wk = 0.0026667 k( 98) = ( 0.1949685 0.1949686 0.0000000), wk = 0.0026667 k( 99) = ( 0.1886792 0.1886793 0.0000000), wk = 0.0026667 k( 100) = ( 0.1823899 0.1823899 0.0000000), wk = 0.0026667 k( 101) = ( 0.1761006 0.1761006 -0.0000000), wk = 0.0026667 k( 102) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0026667 k( 103) = ( 0.1635220 0.1635220 -0.0000000), wk = 0.0026667 k( 104) = ( 0.1572327 0.1572327 0.0000000), wk = 0.0026667 k( 105) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0026667 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0026667 k( 107) = ( 0.1383648 0.1383648 0.0000000), wk = 0.0026667 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0026667 k( 109) = ( 0.1257862 0.1257862 -0.0000000), wk = 0.0026667 k( 110) = ( 0.1194969 0.1194969 0.0000000), wk = 0.0026667 k( 111) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0026667 k( 112) = ( 0.1069182 0.1069182 0.0000000), wk = 0.0026667 k( 113) = ( 0.1006289 0.1006289 0.0000000), wk = 0.0026667 k( 114) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0026667 k( 115) = ( 0.0880503 0.0880503 0.0000000), wk = 0.0026667 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0026667 k( 117) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0026667 k( 118) = ( 0.0691824 0.0691824 0.0000000), wk = 0.0026667 k( 119) = ( 0.0628931 0.0628931 -0.0000000), wk = 0.0026667 k( 120) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0026667 k( 121) = ( 0.0503145 0.0503145 0.0000000), wk = 0.0026667 k( 122) = ( 0.0440252 0.0440252 0.0000000), wk = 0.0026667 k( 123) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0026667 k( 124) = ( 0.0314465 0.0314465 -0.0000000), wk = 0.0026667 k( 125) = ( 0.0251572 0.0251572 0.0000000), wk = 0.0026667 k( 126) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0026667 k( 127) = ( 0.0125786 0.0125786 0.0000000), wk = 0.0026667 k( 128) = ( 0.0062893 0.0062893 0.0000000), wk = 0.0026667 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 131) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0026667 k( 132) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026667 k( 133) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0026667 k( 134) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026667 k( 135) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0026667 k( 136) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026667 k( 137) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0026667 k( 138) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026667 k( 139) = ( 0.0000000 0.0000000 0.1184211), wk = 0.0026667 k( 140) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026667 k( 141) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0026667 k( 142) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026667 k( 143) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0026667 k( 144) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026667 k( 145) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0026667 k( 146) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.3815790), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 170) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0026667 k( 171) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0026667 k( 172) = ( 0.0326087 -0.0000000 0.5000000), wk = 0.0026667 k( 173) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0026667 k( 174) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0026667 k( 175) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0026667 k( 176) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0026667 k( 177) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0026667 k( 178) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0026667 k( 179) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0026667 k( 180) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0026667 k( 181) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0026667 k( 182) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0026667 k( 183) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0026667 k( 184) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0026667 k( 185) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0026667 k( 186) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0026667 k( 187) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0026667 k( 188) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0026667 k( 189) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0026667 k( 190) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0026667 k( 191) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0026667 k( 192) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026667 k( 193) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0026667 k( 194) = ( 0.2717391 -0.0000000 0.5000000), wk = 0.0026667 k( 195) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0026667 k( 196) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0026667 k( 197) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0026667 k( 198) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0026667 k( 199) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0026667 k( 200) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0026667 k( 201) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0026667 k( 202) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0026667 k( 203) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0026667 k( 204) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0026667 k( 205) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0026667 k( 206) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0026667 k( 207) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0026667 k( 208) = ( 0.4239130 0.0000000 0.5000000), wk = 0.0026667 k( 209) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0026667 k( 210) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0026667 k( 211) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0026667 k( 212) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0026667 k( 213) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0026667 k( 214) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0026667 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 217) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0026667 k( 218) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0026667 k( 219) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0026667 k( 220) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0026667 k( 221) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0026667 k( 222) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0026667 k( 223) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0026667 k( 224) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0026667 k( 225) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026667 k( 226) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0026667 k( 227) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0026667 k( 228) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0026667 k( 229) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0026667 k( 230) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0026667 k( 231) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0026667 k( 232) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0026667 k( 233) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0026667 k( 234) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026667 k( 235) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0026667 k( 236) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0026667 k( 237) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0026667 k( 238) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0026667 k( 239) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0026667 k( 240) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0026667 k( 241) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0026667 k( 242) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0026667 k( 243) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 244) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 245) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0026667 k( 246) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0026667 k( 247) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0026667 k( 248) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0026667 k( 249) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0026667 k( 250) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0026667 k( 251) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0026667 k( 252) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0026667 k( 253) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0026667 k( 254) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0026667 k( 255) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0026667 k( 256) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0026667 k( 257) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0026667 k( 258) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0026667 k( 259) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0026667 k( 260) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0026667 k( 261) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0026667 k( 262) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0026667 k( 263) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0026667 k( 264) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0026667 k( 265) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0026667 k( 266) = ( 0.1949685 0.1949686 0.5000000), wk = 0.0026667 k( 267) = ( 0.1886792 0.1886793 0.5000000), wk = 0.0026667 k( 268) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0026667 k( 269) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0026667 k( 270) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0026667 k( 271) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0026667 k( 272) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0026667 k( 273) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0026667 k( 274) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0026667 k( 275) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0026667 k( 276) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0026667 k( 277) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0026667 k( 278) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0026667 k( 279) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0026667 k( 280) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0026667 k( 281) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0026667 k( 282) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0026667 k( 283) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0026667 k( 284) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0026667 k( 285) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0026667 k( 286) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0026667 k( 287) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0026667 k( 288) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0026667 k( 289) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0026667 k( 290) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0026667 k( 291) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0026667 k( 292) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0026667 k( 293) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0026667 k( 294) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0026667 k( 295) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0026667 k( 296) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0026667 k( 297) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 299) = ( 0.5000000 0.0000000 0.4868421), wk = 0.0026667 k( 300) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0026667 k( 301) = ( 0.5000000 0.0000000 0.4605263), wk = 0.0026667 k( 302) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0026667 k( 303) = ( 0.5000000 0.0000000 0.4342105), wk = 0.0026667 k( 304) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0026667 k( 305) = ( 0.5000000 0.0000000 0.4078947), wk = 0.0026667 k( 306) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0026667 k( 307) = ( 0.5000000 0.0000000 0.3815790), wk = 0.0026667 k( 308) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0026667 k( 309) = ( 0.5000000 0.0000000 0.3552632), wk = 0.0026667 k( 310) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0026667 k( 311) = ( 0.5000000 0.0000000 0.3289474), wk = 0.0026667 k( 312) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0026667 k( 313) = ( 0.5000000 0.0000000 0.3026316), wk = 0.0026667 k( 314) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0026667 k( 315) = ( 0.5000000 0.0000000 0.2763158), wk = 0.0026667 k( 316) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0026667 k( 317) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026667 k( 318) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0026667 k( 319) = ( 0.5000000 0.0000000 0.2236842), wk = 0.0026667 k( 320) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0026667 k( 321) = ( 0.5000000 0.0000000 0.1973684), wk = 0.0026667 k( 322) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0026667 k( 323) = ( 0.5000000 0.0000000 0.1710526), wk = 0.0026667 k( 324) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0026667 k( 325) = ( 0.5000000 0.0000000 0.1447368), wk = 0.0026667 k( 326) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0026667 k( 327) = ( 0.5000000 0.0000000 0.1184211), wk = 0.0026667 k( 328) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0026667 k( 329) = ( 0.5000000 0.0000000 0.0921053), wk = 0.0026667 k( 330) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0026667 k( 331) = ( 0.5000000 0.0000000 0.0657895), wk = 0.0026667 k( 332) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0026667 k( 333) = ( 0.5000000 0.0000000 0.0394737), wk = 0.0026667 k( 334) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0026667 k( 335) = ( 0.5000000 0.0000000 0.0131579), wk = 0.0026667 k( 336) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 337) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 338) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0026667 k( 339) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0026667 k( 340) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0026667 k( 341) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0026667 k( 342) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0026667 k( 343) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0026667 k( 344) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0026667 k( 345) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0026667 k( 346) = ( 0.3333333 0.3333333 0.1184211), wk = 0.0026667 k( 347) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0026667 k( 348) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0026667 k( 349) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0026667 k( 350) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0026667 k( 351) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0026667 k( 352) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0026667 k( 353) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0026667 k( 354) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0026667 k( 355) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0026667 k( 356) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026667 k( 357) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0026667 k( 358) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0026667 k( 359) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0026667 k( 360) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0026667 k( 361) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0026667 k( 362) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0026667 k( 363) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0026667 k( 364) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0026667 k( 365) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0026667 k( 366) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0026667 k( 367) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0026667 k( 368) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0026667 k( 369) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0026667 k( 370) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0026667 k( 371) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0026667 k( 372) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0026667 k( 373) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0026667 k( 374) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0026667 k( 375) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 Dense grid: 55725 G-vectors FFT dimensions: ( 50, 50, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 392, 34) NL pseudopotentials 0.17 Mb ( 196, 56) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1552) G-vector shells 0.01 Mb ( 693) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 392, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 56, 2, 34) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Na2LiN.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.5 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 4.0 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.8 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.4 secs Computing kpt #: 16 total cpu time spent up to now is 5.6 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.6 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.2 secs Computing kpt #: 23 total cpu time spent up to now is 7.4 secs Computing kpt #: 24 total cpu time spent up to now is 7.7 secs Computing kpt #: 25 total cpu time spent up to now is 7.9 secs Computing kpt #: 26 total cpu time spent up to now is 8.2 secs Computing kpt #: 27 total cpu time spent up to now is 8.5 secs Computing kpt #: 28 total cpu time spent up to now is 8.7 secs Computing kpt #: 29 total cpu time spent up to now is 9.0 secs Computing kpt #: 30 total cpu time spent up to now is 9.3 secs Computing kpt #: 31 total cpu time spent up to now is 9.6 secs Computing kpt #: 32 total cpu time spent up to now is 9.8 secs Computing kpt #: 33 total cpu time spent up to now is 10.1 secs Computing kpt #: 34 total cpu time spent up to now is 10.4 secs Computing kpt #: 35 total cpu time spent up to now is 10.6 secs Computing kpt #: 36 total cpu time spent up to now is 10.9 secs Computing kpt #: 37 total cpu time spent up to now is 11.2 secs Computing kpt #: 38 total cpu time spent up to now is 11.4 secs Computing kpt #: 39 total cpu time spent up to now is 11.7 secs Computing kpt #: 40 total cpu time spent up to now is 12.0 secs Computing kpt #: 41 total cpu time spent up to now is 12.2 secs Computing kpt #: 42 total cpu time spent up to now is 12.5 secs Computing kpt #: 43 total cpu time spent up to now is 12.7 secs Computing kpt #: 44 total cpu time spent up to now is 13.0 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.5 secs Computing kpt #: 47 total cpu time spent up to now is 13.8 secs Computing kpt #: 48 total cpu time spent up to now is 14.0 secs Computing kpt #: 49 total cpu time spent up to now is 14.3 secs Computing kpt #: 50 total cpu time spent up to now is 14.5 secs Computing kpt #: 51 total cpu time spent up to now is 14.8 secs Computing kpt #: 52 total cpu time spent up to now is 15.0 secs Computing kpt #: 53 total cpu time spent up to now is 15.3 secs Computing kpt #: 54 total cpu time spent up to now is 15.6 secs Computing kpt #: 55 total cpu time spent up to now is 15.8 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.3 secs Computing kpt #: 58 total cpu time spent up to now is 16.6 secs Computing kpt #: 59 total cpu time spent up to now is 16.8 secs Computing kpt #: 60 total cpu time spent up to now is 17.1 secs Computing kpt #: 61 total cpu time spent up to now is 17.4 secs Computing kpt #: 62 total cpu time spent up to now is 17.6 secs Computing kpt #: 63 total cpu time spent up to now is 17.9 secs Computing kpt #: 64 total cpu time spent up to now is 18.2 secs Computing kpt #: 65 total cpu time spent up to now is 18.4 secs Computing kpt #: 66 total cpu time spent up to now is 18.7 secs Computing kpt #: 67 total cpu time spent up to now is 19.0 secs Computing kpt #: 68 total cpu time spent up to now is 19.2 secs Computing kpt #: 69 total cpu time spent up to now is 19.5 secs Computing kpt #: 70 total cpu time spent up to now is 19.8 secs Computing kpt #: 71 total cpu time spent up to now is 20.1 secs Computing kpt #: 72 total cpu time spent up to now is 20.5 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.1 secs Computing kpt #: 75 total cpu time spent up to now is 21.3 secs Computing kpt #: 76 total cpu time spent up to now is 21.6 secs Computing kpt #: 77 total cpu time spent up to now is 21.9 secs Computing kpt #: 78 total cpu time spent up to now is 22.2 secs Computing kpt #: 79 total cpu time spent up to now is 22.5 secs Computing kpt #: 80 total cpu time spent up to now is 22.8 secs Computing kpt #: 81 total cpu time spent up to now is 23.1 secs Computing kpt #: 82 total cpu time spent up to now is 23.3 secs Computing kpt #: 83 total cpu time spent up to now is 23.6 secs Computing kpt #: 84 total cpu time spent up to now is 23.9 secs Computing kpt #: 85 total cpu time spent up to now is 24.2 secs Computing kpt #: 86 total cpu time spent up to now is 24.4 secs Computing kpt #: 87 total cpu time spent up to now is 24.7 secs Computing kpt #: 88 total cpu time spent up to now is 25.0 secs Computing kpt #: 89 total cpu time spent up to now is 25.2 secs Computing kpt #: 90 total cpu time spent up to now is 25.5 secs Computing kpt #: 91 total cpu time spent up to now is 25.7 secs Computing kpt #: 92 total cpu time spent up to now is 26.0 secs Computing kpt #: 93 total cpu time spent up to now is 26.3 secs Computing kpt #: 94 total cpu time spent up to now is 26.5 secs Computing kpt #: 95 total cpu time spent up to now is 26.8 secs Computing kpt #: 96 total cpu time spent up to now is 27.0 secs Computing kpt #: 97 total cpu time spent up to now is 27.3 secs Computing kpt #: 98 total cpu time spent up to now is 27.5 secs Computing kpt #: 99 total cpu time spent up to now is 27.8 secs Computing kpt #: 100 total cpu time spent up to now is 28.1 secs Computing kpt #: 101 total cpu time spent up to now is 28.3 secs Computing kpt #: 102 total cpu time spent up to now is 28.6 secs Computing kpt #: 103 total cpu time spent up to now is 28.8 secs Computing kpt #: 104 total cpu time spent up to now is 29.1 secs Computing kpt #: 105 total cpu time spent up to now is 29.3 secs Computing kpt #: 106 total cpu time spent up to now is 29.6 secs Computing kpt #: 107 total cpu time spent up to now is 29.8 secs Computing kpt #: 108 total cpu time spent up to now is 30.0 secs Computing kpt #: 109 total cpu time spent up to now is 30.3 secs Computing kpt #: 110 total cpu time spent up to now is 30.5 secs Computing kpt #: 111 total cpu time spent up to now is 30.8 secs Computing kpt #: 112 total cpu time spent up to now is 31.0 secs Computing kpt #: 113 total cpu time spent up to now is 31.3 secs Computing kpt #: 114 total cpu time spent up to now is 31.6 secs Computing kpt #: 115 total cpu time spent up to now is 31.8 secs Computing kpt #: 116 total cpu time spent up to now is 32.1 secs Computing kpt #: 117 total cpu time spent up to now is 32.6 secs Computing kpt #: 118 total cpu time spent up to now is 32.9 secs Computing kpt #: 119 total cpu time spent up to now is 33.2 secs Computing kpt #: 120 total cpu time spent up to now is 33.4 secs Computing kpt #: 121 total cpu time spent up to now is 33.7 secs Computing kpt #: 122 total cpu time spent up to now is 34.0 secs Computing kpt #: 123 total cpu time spent up to now is 34.3 secs Computing kpt #: 124 total cpu time spent up to now is 34.6 secs Computing kpt #: 125 total cpu time spent up to now is 34.9 secs Computing kpt #: 126 total cpu time spent up to now is 35.1 secs Computing kpt #: 127 total cpu time spent up to now is 35.4 secs Computing kpt #: 128 total cpu time spent up to now is 35.7 secs Computing kpt #: 129 total cpu time spent up to now is 36.0 secs Computing kpt #: 130 total cpu time spent up to now is 36.3 secs Computing kpt #: 131 total cpu time spent up to now is 36.6 secs Computing kpt #: 132 total cpu time spent up to now is 36.9 secs Computing kpt #: 133 total cpu time spent up to now is 37.2 secs Computing kpt #: 134 total cpu time spent up to now is 37.5 secs Computing kpt #: 135 total cpu time spent up to now is 37.9 secs Computing kpt #: 136 total cpu time spent up to now is 38.2 secs Computing kpt #: 137 total cpu time spent up to now is 38.5 secs Computing kpt #: 138 total cpu time spent up to now is 38.8 secs Computing kpt #: 139 total cpu time spent up to now is 39.2 secs Computing kpt #: 140 total cpu time spent up to now is 39.5 secs Computing kpt #: 141 total cpu time spent up to now is 39.9 secs Computing kpt #: 142 total cpu time spent up to now is 40.2 secs Computing kpt #: 143 total cpu time spent up to now is 40.7 secs Computing kpt #: 144 total cpu time spent up to now is 40.9 secs Computing kpt #: 145 total cpu time spent up to now is 41.1 secs Computing kpt #: 146 total cpu time spent up to now is 41.4 secs Computing kpt #: 147 total cpu time spent up to now is 41.7 secs Computing kpt #: 148 total cpu time spent up to now is 41.9 secs Computing kpt #: 149 total cpu time spent up to now is 42.2 secs Computing kpt #: 150 total cpu time spent up to now is 42.4 secs Computing kpt #: 151 total cpu time spent up to now is 42.6 secs Computing kpt #: 152 total cpu time spent up to now is 42.9 secs Computing kpt #: 153 total cpu time spent up to now is 43.1 secs Computing kpt #: 154 total cpu time spent up to now is 43.4 secs Computing kpt #: 155 total cpu time spent up to now is 43.6 secs Computing kpt #: 156 total cpu time spent up to now is 43.8 secs Computing kpt #: 157 total cpu time spent up to now is 44.1 secs Computing kpt #: 158 total cpu time spent up to now is 44.3 secs Computing kpt #: 159 total cpu time spent up to now is 44.6 secs Computing kpt #: 160 total cpu time spent up to now is 44.8 secs Computing kpt #: 161 total cpu time spent up to now is 45.0 secs Computing kpt #: 162 total cpu time spent up to now is 45.3 secs Computing kpt #: 163 total cpu time spent up to now is 45.5 secs Computing kpt #: 164 total cpu time spent up to now is 45.7 secs Computing kpt #: 165 total cpu time spent up to now is 46.0 secs Computing kpt #: 166 total cpu time spent up to now is 46.2 secs Computing kpt #: 167 total cpu time spent up to now is 46.4 secs Computing kpt #: 168 total cpu time spent up to now is 46.6 secs Computing kpt #: 169 total cpu time spent up to now is 46.9 secs Computing kpt #: 170 total cpu time spent up to now is 47.1 secs Computing kpt #: 171 total cpu time spent up to now is 47.4 secs Computing kpt #: 172 total cpu time spent up to now is 47.6 secs Computing kpt #: 173 total cpu time spent up to now is 47.8 secs Computing kpt #: 174 total cpu time spent up to now is 48.1 secs Computing kpt #: 175 total cpu time spent up to now is 48.3 secs Computing kpt #: 176 total cpu time spent up to now is 48.6 secs Computing kpt #: 177 total cpu time spent up to now is 48.8 secs Computing kpt #: 178 total cpu time spent up to now is 49.1 secs Computing kpt #: 179 total cpu time spent up to now is 49.3 secs Computing kpt #: 180 total cpu time spent up to now is 49.6 secs Computing kpt #: 181 total cpu time spent up to now is 49.8 secs Computing kpt #: 182 total cpu time spent up to now is 50.1 secs Computing kpt #: 183 total cpu time spent up to now is 50.3 secs Computing kpt #: 184 total cpu time spent up to now is 50.5 secs Computing kpt #: 185 total cpu time spent up to now is 50.8 secs Computing kpt #: 186 total cpu time spent up to now is 51.0 secs Computing kpt #: 187 total cpu time spent up to now is 51.3 secs Computing kpt #: 188 total cpu time spent up to now is 51.5 secs Computing kpt #: 189 total cpu time spent up to now is 51.7 secs Computing kpt #: 190 total cpu time spent up to now is 52.0 secs Computing kpt #: 191 total cpu time spent up to now is 52.2 secs Computing kpt #: 192 total cpu time spent up to now is 52.4 secs Computing kpt #: 193 total cpu time spent up to now is 52.7 secs Computing kpt #: 194 total cpu time spent up to now is 52.9 secs Computing kpt #: 195 total cpu time spent up to now is 53.2 secs Computing kpt #: 196 total cpu time spent up to now is 53.4 secs Computing kpt #: 197 total cpu time spent up to now is 53.6 secs Computing kpt #: 198 total cpu time spent up to now is 53.9 secs Computing kpt #: 199 total cpu time spent up to now is 54.1 secs Computing kpt #: 200 total cpu time spent up to now is 54.4 secs Computing kpt #: 201 total cpu time spent up to now is 54.6 secs Computing kpt #: 202 total cpu time spent up to now is 54.9 secs Computing kpt #: 203 total cpu time spent up to now is 55.1 secs Computing kpt #: 204 total cpu time spent up to now is 55.4 secs Computing kpt #: 205 total cpu time spent up to now is 55.6 secs Computing kpt #: 206 total cpu time spent up to now is 55.9 secs Computing kpt #: 207 total cpu time spent up to now is 56.1 secs Computing kpt #: 208 total cpu time spent up to now is 56.4 secs Computing kpt #: 209 total cpu time spent up to now is 56.6 secs Computing kpt #: 210 total cpu time spent up to now is 56.8 secs Computing kpt #: 211 total cpu time spent up to now is 57.1 secs Computing kpt #: 212 total cpu time spent up to now is 57.3 secs Computing kpt #: 213 total cpu time spent up to now is 57.6 secs Computing kpt #: 214 total cpu time spent up to now is 57.8 secs Computing kpt #: 215 total cpu time spent up to now is 58.1 secs Computing kpt #: 216 total cpu time spent up to now is 58.3 secs Computing kpt #: 217 total cpu time spent up to now is 58.6 secs Computing kpt #: 218 total cpu time spent up to now is 58.8 secs Computing kpt #: 219 total cpu time spent up to now is 59.1 secs Computing kpt #: 220 total cpu time spent up to now is 59.3 secs Computing kpt #: 221 total cpu time spent up to now is 59.6 secs Computing kpt #: 222 total cpu time spent up to now is 59.9 secs Computing kpt #: 223 total cpu time spent up to now is 60.1 secs Computing kpt #: 224 total cpu time spent up to now is 60.4 secs Computing kpt #: 225 total cpu time spent up to now is 60.7 secs Computing kpt #: 226 total cpu time spent up to now is 60.9 secs Computing kpt #: 227 total cpu time spent up to now is 61.2 secs Computing kpt #: 228 total cpu time spent up to now is 61.5 secs Computing kpt #: 229 total cpu time spent up to now is 61.8 secs Computing kpt #: 230 total cpu time spent up to now is 62.1 secs Computing kpt #: 231 total cpu time spent up to now is 62.4 secs Computing kpt #: 232 total cpu time spent up to now is 62.7 secs Computing kpt #: 233 total cpu time spent up to now is 63.0 secs Computing kpt #: 234 total cpu time spent up to now is 63.3 secs Computing kpt #: 235 total cpu time spent up to now is 63.6 secs Computing kpt #: 236 total cpu time spent up to now is 64.0 secs Computing kpt #: 237 total cpu time spent up to now is 64.3 secs Computing kpt #: 238 total cpu time spent up to now is 64.6 secs Computing kpt #: 239 total cpu time spent up to now is 64.9 secs Computing kpt #: 240 total cpu time spent up to now is 65.3 secs Computing kpt #: 241 total cpu time spent up to now is 65.6 secs Computing kpt #: 242 total cpu time spent up to now is 65.9 secs Computing kpt #: 243 total cpu time spent up to now is 66.3 secs Computing kpt #: 244 total cpu time spent up to now is 66.7 secs Computing kpt #: 245 total cpu time spent up to now is 67.0 secs Computing kpt #: 246 total cpu time spent up to now is 67.3 secs Computing kpt #: 247 total cpu time spent up to now is 68.1 secs Computing kpt #: 248 total cpu time spent up to now is 68.4 secs Computing kpt #: 249 total cpu time spent up to now is 68.6 secs Computing kpt #: 250 total cpu time spent up to now is 68.9 secs Computing kpt #: 251 total cpu time spent up to now is 69.1 secs Computing kpt #: 252 total cpu time spent up to now is 69.4 secs Computing kpt #: 253 total cpu time spent up to now is 69.6 secs Computing kpt #: 254 total cpu time spent up to now is 69.9 secs Computing kpt #: 255 total cpu time spent up to now is 70.1 secs Computing kpt #: 256 total cpu time spent up to now is 70.3 secs Computing kpt #: 257 total cpu time spent up to now is 70.6 secs Computing kpt #: 258 total cpu time spent up to now is 70.8 secs Computing kpt #: 259 total cpu time spent up to now is 71.1 secs Computing kpt #: 260 total cpu time spent up to now is 71.3 secs Computing kpt #: 261 total cpu time spent up to now is 71.5 secs Computing kpt #: 262 total cpu time spent up to now is 71.8 secs Computing kpt #: 263 total cpu time spent up to now is 72.0 secs Computing kpt #: 264 total cpu time spent up to now is 72.2 secs Computing kpt #: 265 total cpu time spent up to now is 72.5 secs Computing kpt #: 266 total cpu time spent up to now is 72.7 secs Computing kpt #: 267 total cpu time spent up to now is 72.9 secs Computing kpt #: 268 total cpu time spent up to now is 73.2 secs Computing kpt #: 269 total cpu time spent up to now is 73.4 secs Computing kpt #: 270 total cpu time spent up to now is 73.6 secs Computing kpt #: 271 total cpu time spent up to now is 73.9 secs Computing kpt #: 272 total cpu time spent up to now is 74.1 secs Computing kpt #: 273 total cpu time spent up to now is 74.4 secs Computing kpt #: 274 total cpu time spent up to now is 74.6 secs Computing kpt #: 275 total cpu time spent up to now is 74.8 secs Computing kpt #: 276 total cpu time spent up to now is 75.1 secs Computing kpt #: 277 total cpu time spent up to now is 75.3 secs Computing kpt #: 278 total cpu time spent up to now is 75.5 secs Computing kpt #: 279 total cpu time spent up to now is 75.8 secs Computing kpt #: 280 total cpu time spent up to now is 76.0 secs Computing kpt #: 281 total cpu time spent up to now is 76.3 secs Computing kpt #: 282 total cpu time spent up to now is 76.5 secs Computing kpt #: 283 total cpu time spent up to now is 76.7 secs Computing kpt #: 284 total cpu time spent up to now is 77.0 secs Computing kpt #: 285 total cpu time spent up to now is 77.2 secs Computing kpt #: 286 total cpu time spent up to now is 77.5 secs Computing kpt #: 287 total cpu time spent up to now is 77.7 secs Computing kpt #: 288 total cpu time spent up to now is 78.0 secs Computing kpt #: 289 total cpu time spent up to now is 78.2 secs Computing kpt #: 290 total cpu time spent up to now is 78.5 secs Computing kpt #: 291 total cpu time spent up to now is 78.7 secs Computing kpt #: 292 total cpu time spent up to now is 78.9 secs Computing kpt #: 293 total cpu time spent up to now is 79.2 secs Computing kpt #: 294 total cpu time spent up to now is 79.4 secs Computing kpt #: 295 total cpu time spent up to now is 79.7 secs Computing kpt #: 296 total cpu time spent up to now is 79.9 secs Computing kpt #: 297 total cpu time spent up to now is 80.1 secs Computing kpt #: 298 total cpu time spent up to now is 80.4 secs Computing kpt #: 299 total cpu time spent up to now is 80.6 secs Computing kpt #: 300 total cpu time spent up to now is 80.9 secs Computing kpt #: 301 total cpu time spent up to now is 81.1 secs Computing kpt #: 302 total cpu time spent up to now is 81.4 secs Computing kpt #: 303 total cpu time spent up to now is 81.6 secs Computing kpt #: 304 total cpu time spent up to now is 81.9 secs Computing kpt #: 305 total cpu time spent up to now is 82.2 secs Computing kpt #: 306 total cpu time spent up to now is 82.4 secs Computing kpt #: 307 total cpu time spent up to now is 82.7 secs Computing kpt #: 308 total cpu time spent up to now is 82.9 secs Computing kpt #: 309 total cpu time spent up to now is 83.2 secs Computing kpt #: 310 total cpu time spent up to now is 83.5 secs Computing kpt #: 311 total cpu time spent up to now is 83.8 secs Computing kpt #: 312 total cpu time spent up to now is 84.1 secs Computing kpt #: 313 total cpu time spent up to now is 84.4 secs Computing kpt #: 314 total cpu time spent up to now is 84.8 secs Computing kpt #: 315 total cpu time spent up to now is 85.0 secs Computing kpt #: 316 total cpu time spent up to now is 85.3 secs Computing kpt #: 317 total cpu time spent up to now is 85.6 secs Computing kpt #: 318 total cpu time spent up to now is 85.8 secs Computing kpt #: 319 total cpu time spent up to now is 86.1 secs Computing kpt #: 320 total cpu time spent up to now is 86.3 secs Computing kpt #: 321 total cpu time spent up to now is 86.6 secs Computing kpt #: 322 total cpu time spent up to now is 86.8 secs Computing kpt #: 323 total cpu time spent up to now is 87.1 secs Computing kpt #: 324 total cpu time spent up to now is 87.3 secs Computing kpt #: 325 total cpu time spent up to now is 87.6 secs Computing kpt #: 326 total cpu time spent up to now is 87.9 secs Computing kpt #: 327 total cpu time spent up to now is 88.1 secs Computing kpt #: 328 total cpu time spent up to now is 88.4 secs Computing kpt #: 329 total cpu time spent up to now is 88.6 secs Computing kpt #: 330 total cpu time spent up to now is 88.9 secs Computing kpt #: 331 total cpu time spent up to now is 89.2 secs Computing kpt #: 332 total cpu time spent up to now is 89.4 secs Computing kpt #: 333 total cpu time spent up to now is 89.7 secs Computing kpt #: 334 total cpu time spent up to now is 89.9 secs Computing kpt #: 335 total cpu time spent up to now is 90.2 secs Computing kpt #: 336 total cpu time spent up to now is 90.4 secs Computing kpt #: 337 total cpu time spent up to now is 90.7 secs Computing kpt #: 338 total cpu time spent up to now is 90.9 secs Computing kpt #: 339 total cpu time spent up to now is 91.2 secs Computing kpt #: 340 total cpu time spent up to now is 91.5 secs Computing kpt #: 341 total cpu time spent up to now is 91.7 secs Computing kpt #: 342 total cpu time spent up to now is 92.0 secs Computing kpt #: 343 total cpu time spent up to now is 92.2 secs Computing kpt #: 344 total cpu time spent up to now is 92.5 secs Computing kpt #: 345 total cpu time spent up to now is 92.7 secs Computing kpt #: 346 total cpu time spent up to now is 93.0 secs Computing kpt #: 347 total cpu time spent up to now is 93.2 secs Computing kpt #: 348 total cpu time spent up to now is 93.4 secs Computing kpt #: 349 total cpu time spent up to now is 93.7 secs Computing kpt #: 350 total cpu time spent up to now is 93.9 secs Computing kpt #: 351 total cpu time spent up to now is 94.2 secs Computing kpt #: 352 total cpu time spent up to now is 94.4 secs Computing kpt #: 353 total cpu time spent up to now is 94.7 secs Computing kpt #: 354 total cpu time spent up to now is 94.9 secs Computing kpt #: 355 total cpu time spent up to now is 95.1 secs Computing kpt #: 356 total cpu time spent up to now is 95.4 secs Computing kpt #: 357 total cpu time spent up to now is 95.7 secs Computing kpt #: 358 total cpu time spent up to now is 96.1 secs Computing kpt #: 359 total cpu time spent up to now is 96.4 secs Computing kpt #: 360 total cpu time spent up to now is 96.7 secs Computing kpt #: 361 total cpu time spent up to now is 97.0 secs Computing kpt #: 362 total cpu time spent up to now is 97.3 secs Computing kpt #: 363 total cpu time spent up to now is 97.6 secs Computing kpt #: 364 total cpu time spent up to now is 98.0 secs Computing kpt #: 365 total cpu time spent up to now is 98.2 secs Computing kpt #: 366 total cpu time spent up to now is 98.5 secs Computing kpt #: 367 total cpu time spent up to now is 98.8 secs Computing kpt #: 368 total cpu time spent up to now is 99.2 secs Computing kpt #: 369 total cpu time spent up to now is 99.4 secs Computing kpt #: 370 total cpu time spent up to now is 99.7 secs Computing kpt #: 371 total cpu time spent up to now is 100.1 secs Computing kpt #: 372 total cpu time spent up to now is 100.4 secs Computing kpt #: 373 total cpu time spent up to now is 100.7 secs Computing kpt #: 374 total cpu time spent up to now is 101.1 secs Computing kpt #: 375 total cpu time spent up to now is 101.5 secs ethr = 3.85E-08, avg # of iterations = 14.9 total cpu time spent up to now is 101.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7185 -19.7185 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7850 -7.7850 2.5477 2.5477 3.3875 3.3875 3.4258 3.4258 3.4380 3.4380 12.2736 12.2736 12.4241 12.4241 12.4379 12.4379 k = 0.0109 0.0063-0.0000 ( 6947 PWs) bands (ev): -47.7109 -47.7109 -47.4491 -47.4491 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7184 -19.7184 -19.4438 -19.4438 -19.2623 -19.2623 -19.1575 -19.1575 -7.7846 -7.7846 2.5480 2.5480 3.3386 3.3386 3.4314 3.4314 3.4816 3.4816 12.2728 12.2728 12.4061 12.4061 12.4270 12.4270 k = 0.0217 0.0126-0.0000 ( 6949 PWs) bands (ev): -47.7107 -47.7107 -47.4493 -47.4493 -41.2681 -41.2681 -19.9472 -19.9472 -19.8185 -19.8185 -19.7181 -19.7181 -19.4440 -19.4440 -19.2623 -19.2623 -19.1576 -19.1576 -7.7833 -7.7833 2.5488 2.5488 3.2734 3.2734 3.4312 3.4312 3.5478 3.5478 12.2704 12.2704 12.3450 12.3450 12.4064 12.4064 k = 0.0326 0.0188-0.0000 ( 6953 PWs) bands (ev): -47.7103 -47.7103 -47.4496 -47.4496 -41.2681 -41.2681 -19.9471 -19.9471 -19.8188 -19.8188 -19.7176 -19.7176 -19.4443 -19.4443 -19.2622 -19.2622 -19.1578 -19.1578 -7.7812 -7.7812 2.5503 2.5503 3.2075 3.2075 3.4305 3.4305 3.6156 3.6156 12.2510 12.2510 12.2664 12.2664 12.3769 12.3769 k = 0.0435 0.0251-0.0000 ( 6955 PWs) bands (ev): -47.7098 -47.7098 -47.4501 -47.4501 -41.2681 -41.2681 -19.9470 -19.9470 -19.8193 -19.8193 -19.7170 -19.7170 -19.4448 -19.4448 -19.2622 -19.2622 -19.1581 -19.1581 -7.7783 -7.7783 2.5523 2.5523 3.1418 3.1418 3.4295 3.4295 3.6841 3.6841 12.1346 12.1346 12.2608 12.2608 12.3398 12.3398 k = 0.0543 0.0314-0.0000 ( 6963 PWs) bands (ev): -47.7092 -47.7092 -47.4507 -47.4507 -41.2681 -41.2681 -19.9470 -19.9470 -19.8200 -19.8200 -19.7161 -19.7161 -19.4454 -19.4454 -19.2621 -19.2621 -19.1584 -19.1584 -7.7745 -7.7745 2.5549 2.5549 3.0766 3.0766 3.4282 3.4282 3.7529 3.7529 12.0030 12.0030 12.2535 12.2535 12.2972 12.2972 k = 0.0652 0.0377-0.0000 ( 6959 PWs) bands (ev): -47.7085 -47.7085 -47.4515 -47.4515 -41.2681 -41.2681 -19.9469 -19.9469 -19.8207 -19.8207 -19.7151 -19.7151 -19.4461 -19.4461 -19.2621 -19.2621 -19.1588 -19.1588 -7.7699 -7.7699 2.5581 2.5581 3.0120 3.0120 3.4266 3.4266 3.8221 3.8221 11.8613 11.8613 12.2447 12.2447 12.2510 12.2510 k = 0.0761 0.0439-0.0000 ( 6957 PWs) bands (ev): -47.7076 -47.7076 -47.4524 -47.4524 -41.2681 -41.2681 -19.9468 -19.9468 -19.8215 -19.8215 -19.7139 -19.7139 -19.4470 -19.4470 -19.2622 -19.2622 -19.1591 -19.1591 -7.7646 -7.7646 2.5618 2.5618 2.9481 2.9481 3.4247 3.4247 3.8914 3.8914 11.7130 11.7130 12.2021 12.2021 12.2344 12.2344 k = 0.0870 0.0502-0.0000 ( 6953 PWs) bands (ev): -47.7066 -47.7066 -47.4534 -47.4534 -41.2681 -41.2681 -19.9467 -19.9467 -19.8224 -19.8224 -19.7126 -19.7126 -19.4480 -19.4480 -19.2623 -19.2623 -19.1595 -19.1595 -7.7585 -7.7585 2.5661 2.5661 2.8849 2.8849 3.4226 3.4226 3.9610 3.9610 11.5603 11.5603 12.1521 12.1521 12.2225 12.2225 k = 0.0978 0.0565-0.0000 ( 6947 PWs) bands (ev): -47.7055 -47.7055 -47.4545 -47.4545 -41.2681 -41.2681 -19.9467 -19.9467 -19.8234 -19.8234 -19.7111 -19.7111 -19.4491 -19.4491 -19.2625 -19.2625 -19.1598 -19.1598 -7.7517 -7.7517 2.5709 2.5709 2.8224 2.8224 3.4202 3.4202 4.0307 4.0307 11.4049 11.4049 12.1015 12.1015 12.2091 12.2091 k = 0.1087 0.0628-0.0000 ( 6947 PWs) bands (ev): -47.7043 -47.7043 -47.4558 -47.4558 -41.2681 -41.2681 -19.9467 -19.9467 -19.8243 -19.8243 -19.7094 -19.7094 -19.4503 -19.4503 -19.2629 -19.2629 -19.1600 -19.1600 -7.7442 -7.7442 2.5761 2.5761 2.7609 2.7609 3.4175 3.4175 4.1005 4.1005 11.2480 11.2480 12.0508 12.0508 12.1942 12.1942 k = 0.1196 0.0690-0.0000 ( 6935 PWs) bands (ev): -47.7029 -47.7029 -47.4572 -47.4572 -41.2680 -41.2680 -19.9468 -19.9468 -19.8252 -19.8252 -19.7076 -19.7076 -19.4517 -19.4517 -19.2635 -19.2635 -19.1601 -19.1601 -7.7361 -7.7361 2.5819 2.5819 2.7003 2.7003 3.4147 3.4147 4.1704 4.1704 11.0905 11.0905 12.0004 12.0004 12.1778 12.1778 k = 0.1304 0.0753-0.0000 ( 6935 PWs) bands (ev): -47.7014 -47.7014 -47.4587 -47.4587 -41.2680 -41.2680 -19.9470 -19.9470 -19.8261 -19.8261 -19.7057 -19.7057 -19.4532 -19.4532 -19.2643 -19.2643 -19.1601 -19.1601 -7.7273 -7.7273 2.5880 2.5880 2.6407 2.6407 3.4116 3.4116 4.2405 4.2405 10.9331 10.9331 11.9507 11.9507 12.1600 12.1600 k = 0.1413 0.0816-0.0000 ( 6939 PWs) bands (ev): -47.6998 -47.6998 -47.4603 -47.4603 -41.2680 -41.2680 -19.9473 -19.9473 -19.8270 -19.8270 -19.7036 -19.7036 -19.4548 -19.4548 -19.2653 -19.2653 -19.1599 -19.1599 -7.7179 -7.7179 2.5816 2.5816 2.5952 2.5952 3.4083 3.4083 4.3106 4.3106 10.7762 10.7762 11.9017 11.9017 12.1409 12.1409 k = 0.1522 0.0879-0.0000 ( 6935 PWs) bands (ev): -47.6980 -47.6980 -47.4621 -47.4621 -41.2680 -41.2680 -19.9476 -19.9476 -19.8278 -19.8278 -19.7014 -19.7014 -19.4566 -19.4566 -19.2665 -19.2665 -19.1595 -19.1595 -7.7080 -7.7080 2.5244 2.5244 2.6019 2.6019 3.4049 3.4049 4.3808 4.3808 10.6202 10.6202 11.8538 11.8538 12.1204 12.1204 k = 0.1630 0.0941-0.0000 ( 6943 PWs) bands (ev): -47.6962 -47.6962 -47.4640 -47.4640 -41.2680 -41.2680 -19.9481 -19.9481 -19.8285 -19.8285 -19.6990 -19.6990 -19.4584 -19.4584 -19.2680 -19.2680 -19.1590 -19.1590 -7.6977 -7.6977 2.4680 2.4680 2.6093 2.6093 3.4013 3.4013 4.4510 4.4510 10.4655 10.4655 11.8069 11.8069 12.0987 12.0987 k = 0.1739 0.1004-0.0000 ( 6933 PWs) bands (ev): -47.6942 -47.6942 -47.4659 -47.4659 -41.2680 -41.2680 -19.9487 -19.9487 -19.8290 -19.8290 -19.6966 -19.6966 -19.4604 -19.4604 -19.2698 -19.2698 -19.1582 -19.1582 -7.6869 -7.6869 2.4129 2.4129 2.6171 2.6171 3.3975 3.3975 4.5214 4.5214 10.3124 10.3124 11.7612 11.7612 12.0758 12.0758 k = 0.1848 0.1067-0.0000 ( 6929 PWs) bands (ev): -47.6922 -47.6922 -47.4680 -47.4680 -41.2680 -41.2680 -19.9494 -19.9494 -19.8295 -19.8295 -19.6940 -19.6940 -19.4625 -19.4625 -19.2718 -19.2718 -19.1572 -19.1572 -7.6757 -7.6757 2.3590 2.3590 2.6252 2.6252 3.3936 3.3936 4.5917 4.5917 10.1609 10.1609 11.7168 11.7168 12.0517 12.0517 k = 0.1957 0.1130-0.0000 ( 6929 PWs) bands (ev): -47.6900 -47.6900 -47.4702 -47.4702 -41.2680 -41.2680 -19.9503 -19.9503 -19.8298 -19.8298 -19.6913 -19.6913 -19.4647 -19.4647 -19.2740 -19.2740 -19.1561 -19.1561 -7.6641 -7.6641 2.3065 2.3065 2.6336 2.6336 3.3896 3.3896 4.6622 4.6622 10.0114 10.0114 11.6738 11.6738 12.0266 12.0266 k = 0.2065 0.1192-0.0000 ( 6925 PWs) bands (ev): -47.6877 -47.6877 -47.4725 -47.4725 -41.2679 -41.2679 -19.9513 -19.9513 -19.8299 -19.8299 -19.6885 -19.6885 -19.4670 -19.4670 -19.2765 -19.2765 -19.1547 -19.1547 -7.6523 -7.6523 2.2554 2.2554 2.6422 2.6422 3.3855 3.3855 4.7327 4.7327 9.8638 9.8638 11.6321 11.6321 12.0005 12.0005 k = 0.2174 0.1255-0.0000 ( 6923 PWs) bands (ev): -47.6854 -47.6854 -47.4749 -47.4749 -41.2679 -41.2679 -19.9524 -19.9524 -19.8299 -19.8299 -19.6856 -19.6856 -19.4694 -19.4694 -19.2792 -19.2792 -19.1532 -19.1532 -7.6402 -7.6402 2.2056 2.2056 2.6511 2.6511 3.3813 3.3813 4.8033 4.8033 9.7185 9.7185 11.5918 11.5918 11.9736 11.9736 k = 0.2283 0.1318-0.0000 ( 6927 PWs) bands (ev): -47.6829 -47.6829 -47.4774 -47.4774 -41.2679 -41.2679 -19.9537 -19.9537 -19.8298 -19.8298 -19.6826 -19.6826 -19.4719 -19.4719 -19.2821 -19.2821 -19.1515 -19.1515 -7.6280 -7.6280 2.1574 2.1574 2.6601 2.6601 3.3771 3.3771 4.8740 4.8740 9.5753 9.5753 11.5529 11.5529 11.9459 11.9459 k = 0.2391 0.1381-0.0000 ( 6931 PWs) bands (ev): -47.6804 -47.6804 -47.4800 -47.4800 -41.2679 -41.2679 -19.9551 -19.9551 -19.8295 -19.8295 -19.6795 -19.6795 -19.4746 -19.4746 -19.2851 -19.2851 -19.1497 -19.1497 -7.6157 -7.6157 2.1107 2.1107 2.6692 2.6692 3.3728 3.3728 4.9449 4.9449 9.4345 9.4345 11.5155 11.5155 11.9176 11.9176 k = 0.2500 0.1443-0.0000 ( 6927 PWs) bands (ev): -47.6778 -47.6778 -47.4826 -47.4826 -41.2679 -41.2679 -19.9566 -19.9566 -19.8291 -19.8291 -19.6763 -19.6763 -19.4773 -19.4773 -19.2883 -19.2883 -19.1478 -19.1478 -7.6033 -7.6033 2.0656 2.0656 2.6785 2.6785 3.3686 3.3686 5.0158 5.0158 9.2961 9.2961 11.4795 11.4795 11.8887 11.8887 k = 0.2609 0.1506-0.0000 ( 6933 PWs) bands (ev): -47.6751 -47.6751 -47.4853 -47.4853 -41.2679 -41.2679 -19.9581 -19.9581 -19.8286 -19.8286 -19.6730 -19.6730 -19.4801 -19.4801 -19.2915 -19.2915 -19.1457 -19.1457 -7.5909 -7.5909 2.0221 2.0221 2.6878 2.6878 3.3643 3.3643 5.0869 5.0869 9.1601 9.1601 11.4451 11.4451 11.8595 11.8595 k = 0.2717 0.1569-0.0000 ( 6925 PWs) bands (ev): -47.6723 -47.6723 -47.4881 -47.4881 -41.2679 -41.2679 -19.9598 -19.9598 -19.8279 -19.8279 -19.6696 -19.6696 -19.4831 -19.4831 -19.2948 -19.2948 -19.1437 -19.1437 -7.5786 -7.5786 1.9803 1.9803 2.6971 2.6971 3.3601 3.3601 5.1581 5.1581 9.0266 9.0266 11.4121 11.4121 11.8300 11.8300 k = 0.2826 0.1632-0.0000 ( 6921 PWs) bands (ev): -47.6695 -47.6695 -47.4909 -47.4909 -41.2679 -41.2679 -19.9615 -19.9615 -19.8272 -19.8272 -19.6662 -19.6662 -19.4861 -19.4861 -19.2982 -19.2982 -19.1415 -19.1415 -7.5664 -7.5664 1.9402 1.9402 2.7063 2.7063 3.3559 3.3559 5.2295 5.2295 8.8955 8.8955 11.3806 11.3806 11.8004 11.8004 k = 0.2935 0.1694-0.0000 ( 6929 PWs) bands (ev): -47.6666 -47.6666 -47.4938 -47.4938 -41.2678 -41.2678 -19.9633 -19.9633 -19.8264 -19.8264 -19.6626 -19.6626 -19.4892 -19.4892 -19.3016 -19.3016 -19.1394 -19.1394 -7.5544 -7.5544 1.9019 1.9019 2.7155 2.7155 3.3518 3.3518 5.3012 5.3012 8.7670 8.7670 11.3507 11.3507 11.7709 11.7709 k = 0.3043 0.1757-0.0000 ( 6925 PWs) bands (ev): -47.6637 -47.6637 -47.4968 -47.4968 -41.2678 -41.2678 -19.9651 -19.9651 -19.8255 -19.8255 -19.6590 -19.6590 -19.4924 -19.4924 -19.3049 -19.3049 -19.1372 -19.1372 -7.5426 -7.5426 1.8653 1.8653 2.7246 2.7246 3.3477 3.3477 5.3731 5.3731 8.6410 8.6410 11.3222 11.3222 11.7416 11.7416 k = 0.3152 0.1820-0.0000 ( 6937 PWs) bands (ev): -47.6608 -47.6608 -47.4997 -47.4997 -41.2678 -41.2678 -19.9669 -19.9669 -19.8246 -19.8246 -19.6554 -19.6554 -19.4957 -19.4957 -19.3082 -19.3082 -19.1351 -19.1351 -7.5311 -7.5311 1.8306 1.8306 2.7335 2.7335 3.3438 3.3438 5.4453 5.4453 8.5176 8.5176 11.2953 11.2953 11.7126 11.7126 k = 0.3261 0.1883-0.0000 ( 6941 PWs) bands (ev): -47.6578 -47.6578 -47.5027 -47.5027 -41.2678 -41.2678 -19.9687 -19.9687 -19.8237 -19.8237 -19.6517 -19.6517 -19.4990 -19.4990 -19.3114 -19.3114 -19.1330 -19.1330 -7.5199 -7.5199 1.7977 1.7977 2.7421 2.7421 3.3400 3.3400 5.5178 5.5178 8.3966 8.3966 11.2699 11.2699 11.6842 11.6842 k = 0.3370 0.1945-0.0000 ( 6933 PWs) bands (ev): -47.6549 -47.6549 -47.5057 -47.5057 -41.2678 -41.2678 -19.9705 -19.9705 -19.8227 -19.8227 -19.6479 -19.6479 -19.5024 -19.5024 -19.3146 -19.3146 -19.1310 -19.1310 -7.5091 -7.5091 1.7666 1.7666 2.7506 2.7506 3.3363 3.3363 5.5906 5.5906 8.2781 8.2781 11.2460 11.2460 11.6565 11.6565 k = 0.3478 0.2008-0.0000 ( 6935 PWs) bands (ev): -47.6519 -47.6519 -47.5087 -47.5087 -41.2678 -41.2678 -19.9722 -19.9722 -19.8217 -19.8217 -19.6441 -19.6441 -19.5059 -19.5059 -19.3176 -19.3176 -19.1290 -19.1290 -7.4988 -7.4988 1.7375 1.7375 2.7587 2.7587 3.3328 3.3328 5.6639 5.6639 8.1622 8.1622 11.2237 11.2237 11.6297 11.6297 k = 0.3587 0.2071-0.0000 ( 6933 PWs) bands (ev): -47.6490 -47.6490 -47.5117 -47.5117 -41.2678 -41.2678 -19.9739 -19.9739 -19.8208 -19.8208 -19.6403 -19.6403 -19.5094 -19.5094 -19.3205 -19.3205 -19.1271 -19.1271 -7.4889 -7.4889 1.7103 1.7103 2.7664 2.7664 3.3294 3.3294 5.7376 5.7376 8.0486 8.0486 11.2029 11.2029 11.6038 11.6038 k = 0.3696 0.2134-0.0000 ( 6933 PWs) bands (ev): -47.6461 -47.6461 -47.5146 -47.5146 -41.2678 -41.2678 -19.9755 -19.9755 -19.8198 -19.8198 -19.6365 -19.6365 -19.5130 -19.5130 -19.3232 -19.3232 -19.1253 -19.1253 -7.4796 -7.4796 1.6851 1.6851 2.7738 2.7738 3.3263 3.3263 5.8119 5.8119 7.9375 7.9375 11.1836 11.1836 11.5792 11.5792 k = 0.3804 0.2196-0.0000 ( 6933 PWs) bands (ev): -47.6432 -47.6432 -47.5175 -47.5175 -41.2678 -41.2678 -19.9770 -19.9770 -19.8189 -19.8189 -19.6327 -19.6327 -19.5165 -19.5165 -19.3258 -19.3258 -19.1235 -19.1235 -7.4709 -7.4709 1.6618 1.6618 2.7808 2.7808 3.3233 3.3233 5.8866 5.8866 7.8287 7.8287 11.1659 11.1659 11.5560 11.5560 k = 0.3913 0.2259-0.0000 ( 6939 PWs) bands (ev): -47.6404 -47.6404 -47.5203 -47.5203 -41.2678 -41.2678 -19.9784 -19.9784 -19.8180 -19.8180 -19.6289 -19.6289 -19.5200 -19.5200 -19.3282 -19.3282 -19.1220 -19.1220 -7.4627 -7.4627 1.6404 1.6404 2.7872 2.7872 3.3206 3.3206 5.9620 5.9620 7.7223 7.7223 11.1497 11.1497 11.5342 11.5342 k = 0.4022 0.2322-0.0000 ( 6935 PWs) bands (ev): -47.6378 -47.6378 -47.5230 -47.5230 -41.2677 -41.2677 -19.9798 -19.9798 -19.8172 -19.8172 -19.6253 -19.6253 -19.5235 -19.5235 -19.3304 -19.3304 -19.1205 -19.1205 -7.4553 -7.4553 1.6211 1.6211 2.7932 2.7932 3.3180 3.3180 6.0381 6.0381 7.6181 7.6181 11.1350 11.1350 11.5140 11.5140 k = 0.4130 0.2385-0.0000 ( 6947 PWs) bands (ev): -47.6352 -47.6352 -47.5255 -47.5255 -41.2677 -41.2677 -19.9810 -19.9810 -19.8165 -19.8165 -19.6217 -19.6217 -19.5270 -19.5270 -19.3324 -19.3324 -19.1191 -19.1191 -7.4485 -7.4485 1.6038 1.6038 2.7987 2.7987 3.3157 3.3157 6.1149 6.1149 7.5162 7.5162 11.1219 11.1219 11.4956 11.4956 k = 0.4239 0.2447-0.0000 ( 6955 PWs) bands (ev): -47.6329 -47.6329 -47.5279 -47.5279 -41.2677 -41.2677 -19.9821 -19.9821 -19.8158 -19.8158 -19.6182 -19.6182 -19.5303 -19.5303 -19.3342 -19.3342 -19.1180 -19.1180 -7.4424 -7.4424 1.5885 1.5885 2.8036 2.8036 3.3137 3.3137 6.1925 6.1925 7.4164 7.4164 11.1104 11.1104 11.4791 11.4791 k = 0.4348 0.2510-0.0000 ( 6952 PWs) bands (ev): -47.6307 -47.6307 -47.5301 -47.5301 -41.2677 -41.2677 -19.9830 -19.9830 -19.8152 -19.8152 -19.6149 -19.6149 -19.5334 -19.5334 -19.3357 -19.3357 -19.1169 -19.1169 -7.4371 -7.4371 1.5752 1.5752 2.8079 2.8079 3.3119 3.3119 6.2709 6.2709 7.3188 7.3188 11.1003 11.1003 11.4645 11.4645 k = 0.4457 0.2573-0.0000 ( 6954 PWs) bands (ev): -47.6288 -47.6288 -47.5320 -47.5320 -41.2677 -41.2677 -19.9838 -19.9838 -19.8147 -19.8147 -19.6119 -19.6119 -19.5363 -19.5363 -19.3371 -19.3371 -19.1160 -19.1160 -7.4326 -7.4326 1.5639 1.5639 2.8115 2.8115 3.3104 3.3104 6.3502 6.3502 7.2232 7.2232 11.0918 11.0918 11.4520 11.4520 k = 0.4565 0.2636-0.0000 ( 6938 PWs) bands (ev): -47.6271 -47.6271 -47.5337 -47.5337 -41.2677 -41.2677 -19.9845 -19.9845 -19.8143 -19.8143 -19.6092 -19.6092 -19.5389 -19.5389 -19.3382 -19.3382 -19.1153 -19.1153 -7.4289 -7.4289 1.5547 1.5547 2.8146 2.8146 3.3091 3.3091 6.4303 6.4303 7.1297 7.1297 11.0849 11.0849 11.4417 11.4417 k = 0.4674 0.2698-0.0000 ( 6948 PWs) bands (ev): -47.6258 -47.6258 -47.5350 -47.5350 -41.2677 -41.2677 -19.9851 -19.9851 -19.8140 -19.8140 -19.6070 -19.6070 -19.5411 -19.5411 -19.3390 -19.3390 -19.1147 -19.1147 -7.4259 -7.4259 1.5476 1.5476 2.8170 2.8170 3.3081 3.3081 6.5113 6.5113 7.0384 7.0384 11.0795 11.0795 11.4336 11.4336 k = 0.4783 0.2761-0.0000 ( 6946 PWs) bands (ev): -47.6248 -47.6248 -47.5360 -47.5360 -41.2677 -41.2677 -19.9854 -19.9854 -19.8137 -19.8137 -19.6053 -19.6053 -19.5427 -19.5427 -19.3396 -19.3396 -19.1143 -19.1143 -7.4238 -7.4238 1.5424 1.5424 2.8187 2.8187 3.3074 3.3074 6.5925 6.5925 6.9497 6.9497 11.0756 11.0756 11.4278 11.4278 k = 0.4891 0.2824-0.0000 ( 6954 PWs) bands (ev): -47.6242 -47.6242 -47.5366 -47.5366 -41.2677 -41.2677 -19.9857 -19.9857 -19.8136 -19.8136 -19.6042 -19.6042 -19.5438 -19.5438 -19.3400 -19.3400 -19.1140 -19.1140 -7.4226 -7.4226 1.5394 1.5394 2.8197 2.8197 3.3070 3.3070 6.6719 6.6719 6.8659 6.8659 11.0733 11.0733 11.4243 11.4243 k = 0.5000 0.2887-0.0000 ( 6978 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9858 -19.9858 -19.8135 -19.8135 -19.6038 -19.6038 -19.5441 -19.5441 -19.3401 -19.3401 -19.1139 -19.1139 -7.4222 -7.4222 1.5383 1.5383 2.8200 2.8200 3.3069 3.3069 6.7243 6.7243 6.8121 6.8121 11.0725 11.0725 11.4231 11.4231 k = 0.5000 0.2887-0.0000 ( 6978 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9858 -19.9858 -19.8135 -19.8135 -19.6038 -19.6038 -19.5441 -19.5441 -19.3401 -19.3401 -19.1139 -19.1139 -7.4222 -7.4222 1.5383 1.5383 2.8200 2.8200 3.3069 3.3069 6.7243 6.7243 6.8121 6.8121 11.0725 11.0725 11.4231 11.4231 k = 0.4938 0.2994-0.0000 ( 6958 PWs) bands (ev): -47.6239 -47.6239 -47.5369 -47.5369 -41.2677 -41.2677 -19.9861 -19.9861 -19.8130 -19.8130 -19.6038 -19.6038 -19.5442 -19.5442 -19.3405 -19.3405 -19.1138 -19.1138 -7.4221 -7.4221 1.5394 1.5394 2.8202 2.8202 3.3041 3.3041 6.7270 6.7270 6.8127 6.8127 11.0641 11.0641 11.4242 11.4242 k = 0.4877 0.3101-0.0000 ( 6950 PWs) bands (ev): -47.6237 -47.6237 -47.5371 -47.5371 -41.2677 -41.2677 -19.9873 -19.9873 -19.8113 -19.8113 -19.6035 -19.6035 -19.5443 -19.5443 -19.3417 -19.3417 -19.1133 -19.1133 -7.4217 -7.4217 1.5425 1.5425 2.8205 2.8205 3.2958 3.2958 6.7351 6.7351 6.8146 6.8146 11.0392 11.0392 11.4275 11.4275 k = 0.4815 0.3208-0.0000 ( 6946 PWs) bands (ev): -47.6234 -47.6234 -47.5374 -47.5374 -41.2677 -41.2677 -19.9892 -19.9892 -19.8086 -19.8086 -19.6031 -19.6031 -19.5445 -19.5445 -19.3436 -19.3436 -19.1124 -19.1124 -7.4212 -7.4212 1.5477 1.5477 2.8210 2.8210 3.2821 3.2821 6.7484 6.7484 6.8178 6.8178 10.9993 10.9993 11.4329 11.4329 k = 0.4753 0.3314-0.0000 ( 6938 PWs) bands (ev): -47.6230 -47.6230 -47.5378 -47.5378 -41.2677 -41.2677 -19.9917 -19.9917 -19.8050 -19.8050 -19.6025 -19.6025 -19.5447 -19.5447 -19.3462 -19.3462 -19.1113 -19.1113 -7.4205 -7.4205 1.5549 1.5549 2.8217 2.8217 3.2632 3.2632 6.7667 6.7667 6.8222 6.8222 10.9463 10.9463 11.4405 11.4405 k = 0.4691 0.3421-0.0000 ( 6946 PWs) bands (ev): -47.6224 -47.6224 -47.5384 -47.5384 -41.2677 -41.2677 -19.9948 -19.9948 -19.8005 -19.8005 -19.6018 -19.6018 -19.5451 -19.5451 -19.3496 -19.3496 -19.1099 -19.1099 -7.4196 -7.4196 1.5641 1.5641 2.8226 2.8226 3.2393 3.2393 6.7896 6.7896 6.8279 6.8279 10.8824 10.8824 11.4502 11.4502 k = 0.4630 0.3528-0.0000 ( 6950 PWs) bands (ev): -47.6217 -47.6217 -47.5392 -47.5392 -41.2677 -41.2677 -19.9982 -19.9982 -19.7953 -19.7953 -19.6009 -19.6009 -19.5455 -19.5455 -19.3536 -19.3536 -19.1083 -19.1083 -7.4186 -7.4186 1.5754 1.5754 2.8237 2.8237 3.2109 3.2109 6.8168 6.8168 6.8349 6.8349 10.8098 10.8098 11.4622 11.4622 k = 0.4568 0.3635-0.0000 ( 6944 PWs) bands (ev): -47.6208 -47.6208 -47.5400 -47.5400 -41.2677 -41.2677 -20.0021 -20.0021 -19.7895 -19.7895 -19.5999 -19.5999 -19.5460 -19.5460 -19.3582 -19.3582 -19.1065 -19.1065 -7.4173 -7.4173 1.5887 1.5887 2.8250 2.8250 3.1782 3.1782 6.8428 6.8428 6.8481 6.8481 10.7304 10.7304 11.4763 11.4763 k = 0.4506 0.3742-0.0000 ( 6948 PWs) bands (ev): -47.6199 -47.6199 -47.5410 -47.5410 -41.2677 -41.2677 -20.0061 -20.0061 -19.7832 -19.7832 -19.5986 -19.5986 -19.5465 -19.5465 -19.3633 -19.3633 -19.1045 -19.1045 -7.4159 -7.4159 1.6040 1.6040 2.8265 2.8265 3.1417 3.1417 6.8524 6.8524 6.8822 6.8822 10.6460 10.6460 11.4926 11.4926 k = 0.4444 0.3849-0.0000 ( 6948 PWs) bands (ev): -47.6188 -47.6188 -47.5421 -47.5421 -41.2677 -41.2677 -20.0103 -20.0103 -19.7765 -19.7765 -19.5973 -19.5973 -19.5470 -19.5470 -19.3690 -19.3690 -19.1024 -19.1024 -7.4144 -7.4144 1.6213 1.6213 2.8281 2.8281 3.1017 3.1017 6.8631 6.8631 6.9192 6.9192 10.5581 10.5581 11.5111 11.5111 k = 0.4383 0.3956-0.0000 ( 6940 PWs) bands (ev): -47.6175 -47.6175 -47.5433 -47.5433 -41.2677 -41.2677 -20.0145 -20.0145 -19.7695 -19.7695 -19.5958 -19.5958 -19.5475 -19.5475 -19.3751 -19.3751 -19.1003 -19.1003 -7.4127 -7.4127 1.6404 1.6404 2.8298 2.8298 3.0588 3.0588 6.8751 6.8751 6.9584 6.9584 10.4679 10.4679 11.5317 11.5317 k = 0.4321 0.4063-0.0000 ( 6936 PWs) bands (ev): -47.6162 -47.6162 -47.5446 -47.5446 -41.2677 -41.2677 -20.0188 -20.0188 -19.7623 -19.7623 -19.5941 -19.5941 -19.5480 -19.5480 -19.3817 -19.3817 -19.0980 -19.0980 -7.4109 -7.4109 1.6615 1.6615 2.8316 2.8316 3.0132 3.0132 6.8882 6.8882 6.9991 6.9991 10.3765 10.3765 11.5546 11.5546 k = 0.4259 0.4170-0.0000 ( 6938 PWs) bands (ev): -47.6147 -47.6147 -47.5461 -47.5461 -41.2677 -41.2677 -20.0229 -20.0229 -19.7550 -19.7550 -19.5923 -19.5923 -19.5485 -19.5485 -19.3886 -19.3886 -19.0958 -19.0958 -7.4091 -7.4091 1.6843 1.6843 2.8335 2.8335 2.9655 2.9655 6.9026 6.9026 7.0407 7.0407 10.2849 10.2849 11.5796 11.5796 k = 0.4198 0.4277-0.0000 ( 6928 PWs) bands (ev): -47.6132 -47.6132 -47.5477 -47.5477 -41.2677 -41.2677 -20.0270 -20.0270 -19.7477 -19.7477 -19.5905 -19.5905 -19.5489 -19.5489 -19.3958 -19.3958 -19.0936 -19.0936 -7.4071 -7.4071 1.7090 1.7090 2.8354 2.8354 2.9160 2.9160 6.9183 6.9183 7.0825 7.0825 10.1941 10.1941 11.6068 11.6068 k = 0.4136 0.4384-0.0000 ( 6928 PWs) bands (ev): -47.6115 -47.6115 -47.5494 -47.5494 -41.2677 -41.2677 -20.0309 -20.0309 -19.7404 -19.7404 -19.5885 -19.5885 -19.5491 -19.5491 -19.4033 -19.4033 -19.0915 -19.0915 -7.4051 -7.4051 1.7354 1.7354 2.8372 2.8372 2.8653 2.8653 6.9351 6.9351 7.1238 7.1238 10.1047 10.1047 11.6362 11.6362 k = 0.4074 0.4491-0.0000 ( 6924 PWs) bands (ev): -47.6097 -47.6097 -47.5512 -47.5512 -41.2677 -41.2677 -20.0347 -20.0347 -19.7333 -19.7333 -19.5866 -19.5866 -19.5491 -19.5491 -19.4110 -19.4110 -19.0894 -19.0894 -7.4031 -7.4031 1.7636 1.7636 2.8124 2.8124 2.8401 2.8401 6.9532 6.9532 7.1639 7.1639 10.0177 10.0177 11.6677 11.6677 k = 0.4012 0.4597-0.0000 ( 6930 PWs) bands (ev): -47.6078 -47.6078 -47.5531 -47.5531 -41.2677 -41.2677 -20.0382 -20.0382 -19.7264 -19.7264 -19.5847 -19.5847 -19.5487 -19.5487 -19.4190 -19.4190 -19.0875 -19.0875 -7.4010 -7.4010 1.7933 1.7933 2.7600 2.7600 2.8418 2.8418 6.9725 6.9725 7.2020 7.2020 9.9339 9.9339 11.7015 11.7015 k = 0.3951 0.4704-0.0000 ( 6922 PWs) bands (ev): -47.6058 -47.6058 -47.5551 -47.5551 -41.2677 -41.2677 -20.0414 -20.0414 -19.7197 -19.7197 -19.5829 -19.5829 -19.5480 -19.5480 -19.4270 -19.4270 -19.0856 -19.0856 -7.3990 -7.3990 1.8247 1.8247 2.7069 2.7069 2.8438 2.8438 6.9931 6.9931 7.2374 7.2374 9.8539 9.8539 11.7375 11.7375 k = 0.3889 0.4811-0.0000 ( 6916 PWs) bands (ev): -47.6036 -47.6036 -47.5572 -47.5572 -41.2677 -41.2677 -20.0445 -20.0445 -19.7135 -19.7135 -19.5813 -19.5813 -19.5467 -19.5467 -19.4352 -19.4352 -19.0839 -19.0839 -7.3971 -7.3971 1.8575 1.8575 2.6536 2.6536 2.8457 2.8457 7.0148 7.0148 7.2691 7.2691 9.7786 9.7786 11.7756 11.7756 k = 0.3827 0.4918-0.0000 ( 6916 PWs) bands (ev): -47.6014 -47.6014 -47.5595 -47.5595 -41.2677 -41.2677 -20.0472 -20.0472 -19.7076 -19.7076 -19.5800 -19.5800 -19.5448 -19.5448 -19.4434 -19.4434 -19.0823 -19.0823 -7.3952 -7.3952 1.8918 1.8918 2.6005 2.6005 2.8476 2.8476 7.0379 7.0379 7.2964 7.2964 9.7089 9.7089 11.8160 11.8160 k = 0.3765 0.5025-0.0000 ( 6908 PWs) bands (ev): -47.5991 -47.5991 -47.5618 -47.5618 -41.2677 -41.2677 -20.0496 -20.0496 -19.7023 -19.7023 -19.5790 -19.5790 -19.5422 -19.5422 -19.4516 -19.4516 -19.0809 -19.0809 -7.3934 -7.3934 1.9275 1.9275 2.5478 2.5478 2.8493 2.8493 7.0622 7.0622 7.3183 7.3183 9.6455 9.6455 11.8586 11.8586 k = 0.3704 0.5132-0.0000 ( 6904 PWs) bands (ev): -47.5967 -47.5967 -47.5642 -47.5642 -41.2676 -41.2676 -20.0517 -20.0517 -19.6975 -19.6975 -19.5782 -19.5782 -19.5389 -19.5389 -19.4598 -19.4598 -19.0797 -19.0797 -7.3918 -7.3918 1.9645 1.9645 2.4957 2.4957 2.8509 2.8509 7.0878 7.0878 7.3342 7.3342 9.5892 9.5892 11.9033 11.9033 k = 0.3642 0.5239-0.0000 ( 6900 PWs) bands (ev): -47.5942 -47.5942 -47.5667 -47.5667 -41.2676 -41.2676 -20.0535 -20.0535 -19.6933 -19.6933 -19.5777 -19.5777 -19.5349 -19.5349 -19.4679 -19.4679 -19.0786 -19.0786 -7.3903 -7.3903 2.0026 2.0026 2.4445 2.4445 2.8524 2.8524 7.1147 7.1147 7.3431 7.3431 9.5408 9.5408 11.9503 11.9503 k = 0.3580 0.5346-0.0000 ( 6904 PWs) bands (ev): -47.5916 -47.5916 -47.5693 -47.5693 -41.2676 -41.2676 -20.0550 -20.0550 -19.6899 -19.6899 -19.5773 -19.5773 -19.5304 -19.5304 -19.4758 -19.4758 -19.0777 -19.0777 -7.3891 -7.3891 2.0419 2.0419 2.3944 2.3944 2.8536 2.8536 7.1429 7.1429 7.3446 7.3446 9.5008 9.5008 11.9995 11.9995 k = 0.3519 0.5453-0.0000 ( 6916 PWs) bands (ev): -47.5889 -47.5889 -47.5720 -47.5720 -41.2676 -41.2676 -20.0562 -20.0562 -19.6871 -19.6871 -19.5771 -19.5771 -19.5254 -19.5254 -19.4834 -19.4834 -19.0770 -19.0770 -7.3880 -7.3880 2.0822 2.0822 2.3456 2.3456 2.8546 2.8546 7.1725 7.1725 7.3381 7.3381 9.4696 9.4696 12.0509 12.0509 k = 0.3457 0.5560-0.0000 ( 6924 PWs) bands (ev): -47.5862 -47.5862 -47.5747 -47.5747 -41.2677 -41.2677 -20.0570 -20.0570 -19.6852 -19.6852 -19.5770 -19.5770 -19.5201 -19.5201 -19.4906 -19.4906 -19.0765 -19.0765 -7.3873 -7.3873 2.1235 2.1235 2.2982 2.2982 2.8554 2.8554 7.2034 7.2034 7.3235 7.3235 9.4474 9.4474 12.1045 12.1045 k = 0.3395 0.5667-0.0000 ( 6924 PWs) bands (ev): -47.5833 -47.5833 -47.5776 -47.5776 -41.2677 -41.2677 -20.0575 -20.0575 -19.6840 -19.6840 -19.5768 -19.5768 -19.5150 -19.5150 -19.4969 -19.4969 -19.0762 -19.0762 -7.3868 -7.3868 2.1655 2.1655 2.2524 2.2524 2.8558 2.8558 7.2358 7.2358 7.3007 7.3007 9.4344 9.4344 12.1604 12.1604 k = 0.3333 0.5774-0.0000 ( 6924 PWs) bands (ev): -47.5805 -47.5805 -47.5805 -47.5805 -41.2677 -41.2677 -20.0577 -20.0577 -19.6836 -19.6836 -19.5768 -19.5768 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3866 -7.3866 2.2075 2.2075 2.2092 2.2092 2.8560 2.8560 7.2673 7.2673 7.2723 7.2723 9.4301 9.4301 12.2185 12.2185 k = 0.3333 0.5774-0.0000 ( 6924 PWs) bands (ev): -47.5805 -47.5805 -47.5805 -47.5805 -41.2677 -41.2677 -20.0577 -20.0577 -19.6836 -19.6836 -19.5768 -19.5768 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3866 -7.3866 2.2075 2.2075 2.2092 2.2092 2.8560 2.8560 7.2673 7.2673 7.2723 7.2723 9.4301 9.4301 12.2185 12.2185 k = 0.3270 0.5665-0.0000 ( 6924 PWs) bands (ev): -47.5835 -47.5835 -47.5774 -47.5774 -41.2677 -41.2677 -20.0575 -20.0575 -19.6840 -19.6840 -19.5769 -19.5769 -19.5150 -19.5150 -19.4968 -19.4968 -19.0762 -19.0762 -7.3868 -7.3868 2.1654 2.1654 2.2526 2.2526 2.8558 2.8558 7.2306 7.2306 7.3060 7.3060 9.4344 9.4344 12.1600 12.1600 k = 0.3208 0.5556-0.0000 ( 6920 PWs) bands (ev): -47.5865 -47.5865 -47.5743 -47.5743 -41.2677 -41.2677 -20.0570 -20.0570 -19.6852 -19.6852 -19.5772 -19.5772 -19.5199 -19.5199 -19.4906 -19.4906 -19.0765 -19.0765 -7.3874 -7.3874 2.1246 2.1246 2.2973 2.2973 2.8553 2.8553 7.1843 7.1843 7.3437 7.3437 9.4466 9.4466 12.1053 12.1053 k = 0.3145 0.5447-0.0000 ( 6914 PWs) bands (ev): -47.5897 -47.5897 -47.5712 -47.5712 -41.2676 -41.2676 -20.0562 -20.0562 -19.6871 -19.6871 -19.5778 -19.5778 -19.5245 -19.5245 -19.4836 -19.4836 -19.0770 -19.0770 -7.3884 -7.3884 2.0860 2.0860 2.3424 2.3424 2.8544 2.8544 7.1316 7.1316 7.3833 7.3833 9.4663 9.4663 12.0543 12.0543 k = 0.3082 0.5338-0.0000 ( 6918 PWs) bands (ev): -47.5929 -47.5929 -47.5680 -47.5680 -41.2677 -41.2677 -20.0550 -20.0550 -19.6897 -19.6897 -19.5789 -19.5789 -19.5284 -19.5284 -19.4762 -19.4762 -19.0778 -19.0778 -7.3898 -7.3898 2.0498 2.0498 2.3878 2.3878 2.8530 2.8530 7.0732 7.0732 7.4246 7.4246 9.4924 9.4924 12.0071 12.0071 k = 0.3019 0.5229-0.0000 ( 6906 PWs) bands (ev): -47.5961 -47.5961 -47.5648 -47.5648 -41.2676 -41.2676 -20.0535 -20.0535 -19.6930 -19.6930 -19.5807 -19.5807 -19.5313 -19.5313 -19.4686 -19.4686 -19.0787 -19.0787 -7.3917 -7.3917 2.0161 2.0161 2.4334 2.4334 2.8512 2.8512 7.0100 7.0100 7.4678 7.4678 9.5243 9.5243 11.9637 11.9637 k = 0.2956 0.5120-0.0000 ( 6906 PWs) bands (ev): -47.5994 -47.5994 -47.5615 -47.5615 -41.2677 -41.2677 -20.0517 -20.0517 -19.6968 -19.6968 -19.5831 -19.5831 -19.5332 -19.5332 -19.4608 -19.4608 -19.0798 -19.0798 -7.3941 -7.3941 1.9848 1.9848 2.4789 2.4789 2.8490 2.8490 6.9426 6.9426 7.5130 7.5130 9.5613 9.5613 11.9240 11.9240 k = 0.2893 0.5011-0.0000 ( 6918 PWs) bands (ev): -47.6027 -47.6027 -47.5581 -47.5581 -41.2677 -41.2677 -20.0497 -20.0497 -19.7011 -19.7011 -19.5862 -19.5862 -19.5340 -19.5340 -19.4530 -19.4530 -19.0812 -19.0812 -7.3970 -7.3970 1.9563 1.9563 2.5244 2.5244 2.8464 2.8464 6.8718 6.8718 7.5603 7.5603 9.6026 9.6026 11.8882 11.8882 k = 0.2830 0.4902-0.0000 ( 6920 PWs) bands (ev): -47.6061 -47.6061 -47.5548 -47.5548 -41.2677 -41.2677 -20.0473 -20.0473 -19.7058 -19.7058 -19.5897 -19.5897 -19.5339 -19.5339 -19.4451 -19.4451 -19.0827 -19.0827 -7.4005 -7.4005 1.9304 1.9304 2.5695 2.5695 2.8433 2.8433 6.7982 6.7982 7.6098 7.6098 9.6478 9.6478 11.8560 11.8560 k = 0.2767 0.4793-0.0000 ( 6920 PWs) bands (ev): -47.6095 -47.6095 -47.5514 -47.5514 -41.2677 -41.2677 -20.0447 -20.0447 -19.7110 -19.7110 -19.5937 -19.5937 -19.5331 -19.5331 -19.4372 -19.4372 -19.0844 -19.0844 -7.4045 -7.4045 1.9074 1.9074 2.6143 2.6143 2.8397 2.8397 6.7224 6.7224 7.6616 7.6616 9.6962 9.6962 11.8275 11.8275 k = 0.2704 0.4684-0.0000 ( 6920 PWs) bands (ev): -47.6129 -47.6129 -47.5480 -47.5480 -41.2677 -41.2677 -20.0418 -20.0418 -19.7164 -19.7164 -19.5979 -19.5979 -19.5317 -19.5317 -19.4293 -19.4293 -19.0862 -19.0862 -7.4090 -7.4090 1.8872 1.8872 2.6586 2.6586 2.8357 2.8357 6.6447 6.6447 7.7158 7.7158 9.7474 9.7474 11.8027 11.8027 k = 0.2642 0.4575-0.0000 ( 6916 PWs) bands (ev): -47.6163 -47.6163 -47.5445 -47.5445 -41.2677 -41.2677 -20.0387 -20.0387 -19.7221 -19.7221 -19.6022 -19.6022 -19.5299 -19.5299 -19.4214 -19.4214 -19.0883 -19.0883 -7.4142 -7.4142 1.8698 1.8698 2.7022 2.7022 2.8312 2.8312 6.5656 6.5656 7.7724 7.7724 9.8011 9.8011 11.7815 11.7815 k = 0.2579 0.4466-0.0000 ( 6910 PWs) bands (ev): -47.6197 -47.6197 -47.5411 -47.5411 -41.2677 -41.2677 -20.0353 -20.0353 -19.7280 -19.7280 -19.6066 -19.6066 -19.5278 -19.5278 -19.4136 -19.4136 -19.0905 -19.0905 -7.4198 -7.4198 1.8555 1.8555 2.7450 2.7450 2.8263 2.8263 6.4855 6.4855 7.8317 7.8317 9.8570 9.8570 11.7638 11.7638 k = 0.2516 0.4357-0.0000 ( 6914 PWs) bands (ev): -47.6232 -47.6232 -47.5376 -47.5376 -41.2677 -41.2677 -20.0318 -20.0318 -19.7340 -19.7340 -19.6111 -19.6111 -19.5254 -19.5254 -19.4058 -19.4058 -19.0928 -19.0928 -7.4261 -7.4261 1.8441 1.8441 2.7868 2.7868 2.8210 2.8210 6.4046 6.4046 7.8937 7.8937 9.9147 9.9147 11.7496 11.7496 k = 0.2453 0.4248-0.0000 ( 6918 PWs) bands (ev): -47.6266 -47.6266 -47.5342 -47.5342 -41.2677 -41.2677 -20.0281 -20.0281 -19.7401 -19.7401 -19.6154 -19.6154 -19.5229 -19.5229 -19.3981 -19.3981 -19.0953 -19.0953 -7.4329 -7.4329 1.8357 1.8357 2.8140 2.8140 2.8290 2.8290 6.3232 6.3232 7.9586 7.9586 9.9741 9.9741 11.7388 11.7388 k = 0.2390 0.4139-0.0000 ( 6922 PWs) bands (ev): -47.6300 -47.6300 -47.5307 -47.5307 -41.2677 -41.2677 -20.0242 -20.0242 -19.7462 -19.7462 -19.6198 -19.6198 -19.5202 -19.5202 -19.3906 -19.3906 -19.0980 -19.0980 -7.4403 -7.4403 1.8303 1.8303 2.8083 2.8083 2.8683 2.8683 6.2416 6.2416 8.0264 8.0264 10.0349 10.0349 11.7312 11.7312 k = 0.2327 0.4031-0.0000 ( 6922 PWs) bands (ev): -47.6335 -47.6335 -47.5273 -47.5273 -41.2677 -41.2677 -20.0202 -20.0202 -19.7523 -19.7523 -19.6241 -19.6241 -19.5173 -19.5173 -19.3831 -19.3831 -19.1007 -19.1007 -7.4483 -7.4483 1.8279 1.8279 2.8017 2.8017 2.9069 2.9069 6.1598 6.1598 8.0973 8.0973 10.0970 10.0970 11.7268 11.7268 k = 0.2264 0.3922-0.0000 ( 6920 PWs) bands (ev): -47.6369 -47.6369 -47.5238 -47.5238 -41.2677 -41.2677 -20.0161 -20.0161 -19.7584 -19.7584 -19.6283 -19.6283 -19.5145 -19.5145 -19.3757 -19.3757 -19.1036 -19.1036 -7.4567 -7.4567 1.8286 1.8286 2.7946 2.7946 2.9443 2.9443 6.0780 6.0780 8.1713 8.1713 10.1604 10.1604 11.7255 11.7255 k = 0.2201 0.3813-0.0000 ( 6924 PWs) bands (ev): -47.6403 -47.6403 -47.5204 -47.5204 -41.2677 -41.2677 -20.0119 -20.0119 -19.7644 -19.7644 -19.6325 -19.6325 -19.5115 -19.5115 -19.3685 -19.3685 -19.1065 -19.1065 -7.4657 -7.4657 1.8323 1.8323 2.7871 2.7871 2.9803 2.9803 5.9963 5.9963 8.2486 8.2486 10.2247 10.2247 11.7270 11.7270 k = 0.2138 0.3704-0.0000 ( 6930 PWs) bands (ev): -47.6436 -47.6436 -47.5171 -47.5171 -41.2678 -41.2678 -20.0076 -20.0076 -19.7702 -19.7702 -19.6366 -19.6366 -19.5085 -19.5085 -19.3614 -19.3614 -19.1096 -19.1096 -7.4752 -7.4752 1.8390 1.8390 2.7793 2.7793 3.0149 3.0149 5.9149 5.9149 8.3292 8.3292 10.2901 10.2901 11.7314 11.7314 k = 0.2075 0.3595-0.0000 ( 6930 PWs) bands (ev): -47.6470 -47.6470 -47.5137 -47.5137 -41.2678 -41.2678 -20.0033 -20.0033 -19.7759 -19.7759 -19.6406 -19.6406 -19.5055 -19.5055 -19.3545 -19.3545 -19.1127 -19.1127 -7.4852 -7.4852 1.8487 1.8487 2.7712 2.7712 3.0480 3.0480 5.8339 5.8339 8.4132 8.4132 10.3564 10.3564 11.7384 11.7384 k = 0.2013 0.3486-0.0000 ( 6932 PWs) bands (ev): -47.6503 -47.6503 -47.5104 -47.5104 -41.2678 -41.2678 -19.9990 -19.9990 -19.7814 -19.7814 -19.6445 -19.6445 -19.5025 -19.5025 -19.3477 -19.3477 -19.1158 -19.1158 -7.4956 -7.4956 1.8614 1.8614 2.7627 2.7627 3.0796 3.0796 5.7532 5.7532 8.5007 8.5007 10.4235 10.4235 11.7478 11.7478 k = 0.1950 0.3377-0.0000 ( 6936 PWs) bands (ev): -47.6535 -47.6535 -47.5071 -47.5071 -41.2678 -41.2678 -19.9947 -19.9947 -19.7867 -19.7867 -19.6484 -19.6484 -19.4995 -19.4995 -19.3411 -19.3411 -19.1190 -19.1190 -7.5064 -7.5064 1.8770 1.8770 2.7540 2.7540 3.1095 3.1095 5.6730 5.6730 8.5916 8.5916 10.4913 10.4913 11.7596 11.7596 k = 0.1887 0.3268-0.0000 ( 6948 PWs) bands (ev): -47.6567 -47.6567 -47.5039 -47.5039 -41.2678 -41.2678 -19.9905 -19.9905 -19.7918 -19.7918 -19.6522 -19.6522 -19.4965 -19.4965 -19.3347 -19.3347 -19.1222 -19.1222 -7.5176 -7.5176 1.8955 1.8955 2.7451 2.7451 3.1379 3.1379 5.5932 5.5932 8.6862 8.6862 10.5599 10.5599 11.7734 11.7734 k = 0.1824 0.3159-0.0000 ( 6944 PWs) bands (ev): -47.6599 -47.6599 -47.5007 -47.5007 -41.2678 -41.2678 -19.9863 -19.9863 -19.7966 -19.7966 -19.6559 -19.6559 -19.4935 -19.4935 -19.3284 -19.3284 -19.1255 -19.1255 -7.5291 -7.5291 1.9168 1.9168 2.7360 2.7360 3.1647 3.1647 5.5140 5.5140 8.7843 8.7843 10.6291 10.6291 11.7892 11.7892 k = 0.1761 0.3050-0.0000 ( 6932 PWs) bands (ev): -47.6630 -47.6630 -47.4975 -47.4975 -41.2678 -41.2678 -19.9822 -19.9822 -19.8011 -19.8011 -19.6596 -19.6596 -19.4906 -19.4906 -19.3224 -19.3224 -19.1286 -19.1286 -7.5408 -7.5408 1.9409 1.9409 2.7267 2.7267 3.1899 3.1899 5.4353 5.4353 8.8861 8.8861 10.6990 10.6990 11.8068 11.8068 k = 0.1698 0.2941-0.0000 ( 6932 PWs) bands (ev): -47.6660 -47.6660 -47.4945 -47.4945 -41.2678 -41.2678 -19.9783 -19.9783 -19.8053 -19.8053 -19.6631 -19.6631 -19.4877 -19.4877 -19.3166 -19.3166 -19.1318 -19.1318 -7.5529 -7.5529 1.9677 1.9677 2.7174 2.7174 3.2134 3.2134 5.3571 5.3571 8.9915 8.9915 10.7694 10.7694 11.8259 11.8259 k = 0.1635 0.2832-0.0000 ( 6928 PWs) bands (ev): -47.6690 -47.6690 -47.4915 -47.4915 -41.2679 -41.2679 -19.9745 -19.9745 -19.8091 -19.8091 -19.6666 -19.6666 -19.4849 -19.4849 -19.3110 -19.3110 -19.1349 -19.1349 -7.5651 -7.5651 1.9972 1.9972 2.7079 2.7079 3.2354 3.2354 5.2796 5.2796 9.1005 9.1005 10.8403 10.8403 11.8463 11.8463 k = 0.1572 0.2723-0.0000 ( 6924 PWs) bands (ev): -47.6719 -47.6719 -47.4885 -47.4885 -41.2679 -41.2679 -19.9709 -19.9709 -19.8126 -19.8126 -19.6700 -19.6700 -19.4821 -19.4821 -19.3056 -19.3056 -19.1379 -19.1379 -7.5775 -7.5775 2.0292 2.0292 2.6984 2.6984 3.2559 3.2559 5.2025 5.2025 9.2131 9.2131 10.9117 10.9117 11.8678 11.8678 k = 0.1509 0.2614-0.0000 ( 6924 PWs) bands (ev): -47.6747 -47.6747 -47.4857 -47.4857 -41.2679 -41.2679 -19.9675 -19.9675 -19.8158 -19.8158 -19.6734 -19.6734 -19.4793 -19.4793 -19.3005 -19.3005 -19.1408 -19.1408 -7.5899 -7.5899 2.0638 2.0638 2.6889 2.6889 3.2748 3.2748 5.1260 5.1260 9.3292 9.3292 10.9835 10.9835 11.8903 11.8903 k = 0.1447 0.2505-0.0000 ( 6924 PWs) bands (ev): -47.6775 -47.6775 -47.4829 -47.4829 -41.2679 -41.2679 -19.9643 -19.9643 -19.8185 -19.8185 -19.6766 -19.6766 -19.4767 -19.4767 -19.2957 -19.2957 -19.1436 -19.1436 -7.6024 -7.6024 2.1008 2.1008 2.6794 2.6794 3.2923 3.2923 5.0501 5.0501 9.4488 9.4488 11.0557 11.0557 11.9135 11.9135 k = 0.1384 0.2397-0.0000 ( 6928 PWs) bands (ev): -47.6801 -47.6801 -47.4802 -47.4802 -41.2679 -41.2679 -19.9614 -19.9614 -19.8209 -19.8209 -19.6797 -19.6797 -19.4741 -19.4741 -19.2912 -19.2912 -19.1462 -19.1462 -7.6149 -7.6149 2.1401 2.1401 2.6701 2.6701 3.3083 3.3083 4.9747 4.9747 9.5719 9.5719 11.1281 11.1281 11.9372 11.9372 k = 0.1321 0.2288-0.0000 ( 6942 PWs) bands (ev): -47.6827 -47.6827 -47.4776 -47.4776 -41.2679 -41.2679 -19.9588 -19.9588 -19.8229 -19.8229 -19.6828 -19.6828 -19.4716 -19.4716 -19.2870 -19.2870 -19.1486 -19.1486 -7.6273 -7.6273 2.1817 2.1817 2.6608 2.6608 3.3230 3.3230 4.8998 4.8998 9.6984 9.6984 11.2008 11.2008 11.9612 11.9612 k = 0.1258 0.2179-0.0000 ( 6940 PWs) bands (ev): -47.6852 -47.6852 -47.4751 -47.4751 -41.2679 -41.2679 -19.9565 -19.9565 -19.8245 -19.8245 -19.6858 -19.6858 -19.4691 -19.4691 -19.2831 -19.2831 -19.1508 -19.1508 -7.6396 -7.6396 2.2255 2.2255 2.6517 2.6517 3.3364 3.3364 4.8254 4.8254 9.8281 9.8281 11.2737 11.2737 11.9853 11.9853 k = 0.1195 0.2070-0.0000 ( 6940 PWs) bands (ev): -47.6876 -47.6876 -47.4727 -47.4727 -41.2680 -41.2680 -19.9544 -19.9544 -19.8257 -19.8257 -19.6886 -19.6886 -19.4668 -19.4668 -19.2796 -19.2796 -19.1529 -19.1529 -7.6517 -7.6517 2.2713 2.2713 2.6427 2.6427 3.3486 3.3486 4.7515 4.7515 9.9611 9.9611 11.3467 11.3467 12.0092 12.0092 k = 0.1132 0.1961-0.0000 ( 6950 PWs) bands (ev): -47.6899 -47.6899 -47.4704 -47.4704 -41.2680 -41.2680 -19.9527 -19.9527 -19.8266 -19.8266 -19.6914 -19.6914 -19.4645 -19.4645 -19.2764 -19.2764 -19.1546 -19.1546 -7.6636 -7.6636 2.3191 2.3191 2.6340 2.6340 3.3597 3.3597 4.6780 4.6780 10.0970 10.0970 11.4196 11.4196 12.0330 12.0330 k = 0.1069 0.1852-0.0000 ( 6946 PWs) bands (ev): -47.6921 -47.6921 -47.4681 -47.4681 -41.2680 -41.2680 -19.9512 -19.9512 -19.8271 -19.8271 -19.6940 -19.6940 -19.4624 -19.4624 -19.2735 -19.2735 -19.1561 -19.1561 -7.6752 -7.6752 2.3688 2.3688 2.6256 2.6256 3.3696 3.3696 4.6050 4.6050 10.2359 10.2359 11.4925 11.4925 12.0562 12.0562 k = 0.1006 0.1743-0.0000 ( 6943 PWs) bands (ev): -47.6941 -47.6941 -47.4660 -47.4660 -41.2680 -41.2680 -19.9500 -19.9500 -19.8273 -19.8273 -19.6966 -19.6966 -19.4603 -19.4603 -19.2711 -19.2711 -19.1574 -19.1574 -7.6864 -7.6864 2.4203 2.4203 2.6174 2.6174 3.3785 3.3785 4.5323 4.5323 10.3774 10.3774 11.5651 11.5651 12.0788 12.0788 k = 0.0943 0.1634-0.0000 ( 6947 PWs) bands (ev): -47.6961 -47.6961 -47.4640 -47.4640 -41.2680 -41.2680 -19.9490 -19.9490 -19.8273 -19.8273 -19.6990 -19.6990 -19.4584 -19.4584 -19.2689 -19.2689 -19.1584 -19.1584 -7.6973 -7.6973 2.4734 2.4734 2.6096 2.6096 3.3865 3.3865 4.4600 4.4600 10.5215 10.5215 11.6374 11.6374 12.1007 12.1007 k = 0.0881 0.1525-0.0000 ( 6943 PWs) bands (ev): -47.6980 -47.6980 -47.4622 -47.4622 -41.2680 -41.2680 -19.9482 -19.9482 -19.8270 -19.8270 -19.7014 -19.7014 -19.4566 -19.4566 -19.2672 -19.2672 -19.1591 -19.1591 -7.7077 -7.7077 2.5281 2.5281 2.6022 2.6022 3.3936 3.3936 4.3881 4.3881 10.6679 10.6679 11.7092 11.7092 12.1216 12.1216 k = 0.0818 0.1416-0.0000 ( 6945 PWs) bands (ev): -47.6997 -47.6997 -47.4604 -47.4604 -41.2680 -41.2680 -19.9477 -19.9477 -19.8265 -19.8265 -19.7036 -19.7036 -19.4548 -19.4548 -19.2657 -19.2657 -19.1596 -19.1596 -7.7176 -7.7176 2.5839 2.5839 2.5955 2.5955 3.3999 3.3999 4.3165 4.3165 10.8163 10.8163 11.7804 11.7804 12.1415 12.1415 k = 0.0755 0.1307-0.0000 ( 6951 PWs) bands (ev): -47.7013 -47.7013 -47.4587 -47.4587 -41.2680 -41.2680 -19.9473 -19.9473 -19.8258 -19.8258 -19.7056 -19.7056 -19.4532 -19.4532 -19.2646 -19.2646 -19.1599 -19.1599 -7.7270 -7.7270 2.5882 2.5882 2.6421 2.6421 3.4054 3.4054 4.2452 4.2452 10.9663 10.9663 11.8506 11.8506 12.1603 12.1603 k = 0.0692 0.1198-0.0000 ( 6951 PWs) bands (ev): -47.7029 -47.7029 -47.4572 -47.4572 -41.2680 -41.2680 -19.9470 -19.9470 -19.8251 -19.8251 -19.7076 -19.7076 -19.4517 -19.4517 -19.2637 -19.2637 -19.1600 -19.1600 -7.7359 -7.7359 2.5820 2.5820 2.7009 2.7009 3.4103 3.4103 4.1742 4.1742 11.1175 11.1175 11.9198 11.9198 12.1779 12.1779 k = 0.0629 0.1089-0.0000 ( 6937 PWs) bands (ev): -47.7042 -47.7042 -47.4558 -47.4558 -41.2680 -41.2680 -19.9468 -19.9468 -19.8242 -19.8242 -19.7094 -19.7094 -19.4504 -19.4504 -19.2630 -19.2630 -19.1600 -19.1600 -7.7440 -7.7440 2.5763 2.5763 2.7610 2.7610 3.4145 3.4145 4.1035 4.1035 11.2695 11.2695 11.9876 11.9876 12.1941 12.1941 k = 0.0566 0.0980-0.0000 ( 6941 PWs) bands (ev): -47.7055 -47.7055 -47.4545 -47.4545 -41.2681 -41.2681 -19.9468 -19.9468 -19.8233 -19.8233 -19.7111 -19.7111 -19.4491 -19.4491 -19.2626 -19.2626 -19.1598 -19.1598 -7.7516 -7.7516 2.5710 2.5710 2.8222 2.8222 3.4182 3.4182 4.0330 4.0330 11.4215 11.4215 12.0536 12.0536 12.2089 12.2089 k = 0.0503 0.0871-0.0000 ( 6945 PWs) bands (ev): -47.7066 -47.7066 -47.4534 -47.4534 -41.2681 -41.2681 -19.9468 -19.9468 -19.8224 -19.8224 -19.7126 -19.7126 -19.4480 -19.4480 -19.2623 -19.2623 -19.1595 -19.1595 -7.7584 -7.7584 2.5662 2.5662 2.8843 2.8843 3.4213 3.4213 3.9628 3.9628 11.5725 11.5725 12.1174 12.1174 12.2223 12.2223 k = 0.0440 0.0763-0.0000 ( 6949 PWs) bands (ev): -47.7076 -47.7076 -47.4524 -47.4524 -41.2681 -41.2681 -19.9468 -19.9468 -19.8215 -19.8215 -19.7139 -19.7139 -19.4470 -19.4470 -19.2622 -19.2622 -19.1591 -19.1591 -7.7645 -7.7645 2.5619 2.5619 2.9474 2.9474 3.4240 3.4240 3.8929 3.8929 11.7216 11.7216 12.1783 12.1783 12.2343 12.2343 k = 0.0377 0.0654-0.0000 ( 6957 PWs) bands (ev): -47.7085 -47.7085 -47.4515 -47.4515 -41.2681 -41.2681 -19.9469 -19.9469 -19.8207 -19.8207 -19.7151 -19.7151 -19.4461 -19.4461 -19.2621 -19.2621 -19.1588 -19.1588 -7.7699 -7.7699 2.5582 2.5582 3.0113 3.0113 3.4262 3.4262 3.8232 3.8232 11.8669 11.8669 12.2357 12.2357 12.2447 12.2447 k = 0.0314 0.0545-0.0000 ( 6957 PWs) bands (ev): -47.7092 -47.7092 -47.4507 -47.4507 -41.2681 -41.2681 -19.9470 -19.9470 -19.8200 -19.8200 -19.7161 -19.7161 -19.4454 -19.4454 -19.2621 -19.2621 -19.1584 -19.1584 -7.7745 -7.7745 2.5550 2.5550 3.0760 3.0760 3.4280 3.4280 3.7538 3.7538 12.0062 12.0062 12.2534 12.2534 12.2886 12.2886 k = 0.0252 0.0436-0.0000 ( 6961 PWs) bands (ev): -47.7098 -47.7098 -47.4501 -47.4501 -41.2681 -41.2681 -19.9470 -19.9470 -19.8194 -19.8194 -19.7170 -19.7170 -19.4448 -19.4448 -19.2622 -19.2622 -19.1581 -19.1581 -7.7782 -7.7782 2.5524 2.5524 3.1413 3.1413 3.4294 3.4294 3.6847 3.6847 12.1360 12.1360 12.2607 12.2607 12.3356 12.3356 k = 0.0189 0.0327-0.0000 ( 6959 PWs) bands (ev): -47.7103 -47.7103 -47.4496 -47.4496 -41.2681 -41.2681 -19.9471 -19.9471 -19.8188 -19.8188 -19.7176 -19.7176 -19.4443 -19.4443 -19.2622 -19.2622 -19.1578 -19.1578 -7.7812 -7.7812 2.5503 2.5503 3.2070 3.2070 3.4305 3.4305 3.6161 3.6161 12.2514 12.2514 12.2664 12.2664 12.3753 12.3753 k = 0.0126 0.0218-0.0000 ( 6949 PWs) bands (ev): -47.7107 -47.7107 -47.4493 -47.4493 -41.2681 -41.2681 -19.9472 -19.9472 -19.8185 -19.8185 -19.7181 -19.7181 -19.4440 -19.4440 -19.2623 -19.2623 -19.1576 -19.1576 -7.7833 -7.7833 2.5488 2.5488 3.2731 3.2731 3.4312 3.4312 3.5481 3.5481 12.2704 12.2704 12.3449 12.3449 12.4060 12.4060 k = 0.0063 0.0109-0.0000 ( 6943 PWs) bands (ev): -47.7109 -47.7109 -47.4491 -47.4491 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7184 -19.7184 -19.4438 -19.4438 -19.2623 -19.2623 -19.1575 -19.1575 -7.7846 -7.7846 2.5480 2.5480 3.3384 3.3384 3.4314 3.4314 3.4817 3.4817 12.2728 12.2728 12.4061 12.4061 12.4269 12.4269 k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7185 -19.7185 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7850 -7.7850 2.5477 2.5477 3.3875 3.3875 3.4258 3.4258 3.4380 3.4380 12.2736 12.2736 12.4241 12.4241 12.4379 12.4379 k = 0.0000 0.0000 0.0000 ( 6961 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7185 -19.7185 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7850 -7.7850 2.5477 2.5477 3.3875 3.3875 3.4258 3.4258 3.4380 3.4380 12.2736 12.2736 12.4241 12.4241 12.4379 12.4379 k = 0.0000 0.0000 0.0125 ( 6961 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7185 -19.7185 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7850 -7.7850 2.5411 2.5411 3.3962 3.3962 3.4261 3.4261 3.4383 3.4383 12.2571 12.2571 12.4251 12.4251 12.4390 12.4390 k = 0.0000 0.0000 0.0251 ( 6973 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7186 -19.7186 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7851 -7.7851 2.5222 2.5222 3.4214 3.4214 3.4271 3.4271 3.4392 3.4392 12.2097 12.2097 12.4284 12.4284 12.4422 12.4422 k = 0.0000 0.0000 0.0376 ( 6961 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8182 -19.8182 -19.7186 -19.7186 -19.4437 -19.4437 -19.2623 -19.2623 -19.1574 -19.1574 -7.7853 -7.7853 2.4930 2.4930 3.4283 3.4283 3.4406 3.4406 3.4617 3.4617 12.1370 12.1370 12.4338 12.4338 12.4476 12.4476 k = 0.0000 0.0000 0.0501 ( 6949 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8181 -19.8181 -19.7187 -19.7187 -19.4438 -19.4438 -19.2623 -19.2623 -19.1574 -19.1574 -7.7855 -7.7855 2.4559 2.4559 3.4303 3.4303 3.4426 3.4426 3.5138 3.5138 12.0453 12.0453 12.4414 12.4414 12.4552 12.4552 k = 0.0000 0.0000 0.0627 ( 6949 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8181 -19.8181 -19.7189 -19.7189 -19.4438 -19.4438 -19.2623 -19.2623 -19.1574 -19.1574 -7.7857 -7.7857 2.4133 2.4133 3.4329 3.4329 3.4452 3.4452 3.5758 3.5758 11.9399 11.9399 12.4511 12.4511 12.4649 12.4649 k = 0.0000 0.0000 0.0752 ( 6949 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8181 -19.8181 -19.7190 -19.7190 -19.4439 -19.4439 -19.2623 -19.2623 -19.1574 -19.1574 -7.7861 -7.7861 2.3671 2.3671 3.4359 3.4359 3.4483 3.4483 3.6456 3.6456 11.8248 11.8248 12.4631 12.4631 12.4767 12.4767 k = 0.0000 0.0000 0.0877 ( 6937 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8181 -19.8181 -19.7192 -19.7192 -19.4440 -19.4440 -19.2623 -19.2623 -19.1574 -19.1574 -7.7864 -7.7864 2.3187 2.3187 3.4396 3.4396 3.4519 3.4519 3.7218 3.7218 11.7030 11.7030 12.4771 12.4771 12.4907 12.4907 k = 0.0000 0.0000 0.1003 ( 6937 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9472 -19.9472 -19.8181 -19.8181 -19.7194 -19.7194 -19.4441 -19.4441 -19.2623 -19.2623 -19.1574 -19.1574 -7.7868 -7.7868 2.2693 2.2693 3.4437 3.4437 3.4560 3.4560 3.8031 3.8031 11.5765 11.5765 12.4934 12.4934 12.5069 12.5069 k = 0.0000 0.0000 0.1128 ( 6919 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9471 -19.9471 -19.8181 -19.8181 -19.7197 -19.7197 -19.4441 -19.4441 -19.2623 -19.2623 -19.1574 -19.1574 -7.7873 -7.7873 2.2195 2.2195 3.4482 3.4482 3.4606 3.4606 3.8889 3.8889 11.4466 11.4466 12.5117 12.5117 12.5251 12.5251 k = 0.0000 0.0000 0.1253 ( 6919 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9471 -19.9471 -19.8180 -19.8180 -19.7199 -19.7199 -19.4442 -19.4442 -19.2623 -19.2623 -19.1574 -19.1574 -7.7878 -7.7878 2.1701 2.1701 3.4532 3.4532 3.4656 3.4656 3.9785 3.9785 11.3143 11.3143 12.5323 12.5323 12.5456 12.5456 k = 0.0000 0.0000 0.1378 ( 6925 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2681 -41.2681 -19.9471 -19.9471 -19.8180 -19.8180 -19.7202 -19.7202 -19.4444 -19.4444 -19.2623 -19.2623 -19.1574 -19.1574 -7.7884 -7.7884 2.1214 2.1214 3.4587 3.4587 3.4711 3.4711 4.0713 4.0713 11.1804 11.1804 12.5550 12.5550 12.5681 12.5681 k = 0.0000 0.0000 0.1504 ( 6925 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2680 -41.2680 -19.9471 -19.9471 -19.8180 -19.8180 -19.7205 -19.7205 -19.4445 -19.4445 -19.2623 -19.2623 -19.1573 -19.1573 -7.7890 -7.7890 2.0737 2.0737 3.4645 3.4645 3.4769 3.4769 4.1671 4.1671 11.0453 11.0453 12.5798 12.5798 12.5928 12.5928 k = 0.0000 0.0000 0.1629 ( 6913 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2680 -41.2680 -19.9471 -19.9471 -19.8180 -19.8180 -19.7208 -19.7208 -19.4446 -19.4446 -19.2623 -19.2623 -19.1573 -19.1573 -7.7896 -7.7896 2.0273 2.0273 3.4707 3.4707 3.4831 3.4831 4.2655 4.2655 10.9096 10.9096 12.6068 12.6068 12.6196 12.6196 k = 0.0000 0.0000 0.1754 ( 6914 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2680 -41.2680 -19.9470 -19.9470 -19.8179 -19.8179 -19.7212 -19.7212 -19.4447 -19.4447 -19.2623 -19.2623 -19.1573 -19.1573 -7.7902 -7.7902 1.9823 1.9823 3.4771 3.4771 3.4896 3.4896 4.3662 4.3662 10.7735 10.7735 12.6411 12.6411 12.6429 12.6429 k = 0.0000 0.0000 0.1880 ( 6914 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2680 -41.2680 -19.9470 -19.9470 -19.8179 -19.8179 -19.7215 -19.7215 -19.4449 -19.4449 -19.2623 -19.2623 -19.1573 -19.1573 -7.7909 -7.7909 1.9389 1.9389 3.4839 3.4839 3.4963 3.4963 4.4690 4.4690 10.6372 10.6372 12.5745 12.5745 12.5762 12.5762 k = 0.0000 0.0000 0.2005 ( 6914 PWs) bands (ev): -47.7109 -47.7109 -47.4490 -47.4490 -41.2680 -41.2680 -19.9470 -19.9470 -19.8179 -19.8179 -19.7219 -19.7219 -19.4450 -19.4450 -19.2623 -19.2623 -19.1573 -19.1573 -7.7916 -7.7916 1.8971 1.8971 3.4909 3.4909 3.5033 3.5033 4.5738 4.5738 10.5010 10.5010 12.5079 12.5079 12.5094 12.5094 k = 0.0000 0.0000 0.2130 ( 6914 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9470 -19.9470 -19.8179 -19.8179 -19.7222 -19.7222 -19.4451 -19.4451 -19.2623 -19.2623 -19.1573 -19.1573 -7.7923 -7.7923 1.8571 1.8571 3.4980 3.4980 3.5105 3.5105 4.6804 4.6804 10.3650 10.3650 12.4415 12.4415 12.4430 12.4430 k = 0.0000 0.0000 0.2256 ( 6914 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9469 -19.9469 -19.8178 -19.8178 -19.7226 -19.7226 -19.4453 -19.4453 -19.2623 -19.2623 -19.1573 -19.1573 -7.7930 -7.7930 1.8188 1.8188 3.5053 3.5053 3.5178 3.5178 4.7886 4.7886 10.2293 10.2293 12.3759 12.3759 12.3773 12.3773 k = 0.0000 0.0000 0.2381 ( 6920 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9469 -19.9469 -19.8178 -19.8178 -19.7230 -19.7230 -19.4454 -19.4454 -19.2623 -19.2623 -19.1572 -19.1572 -7.7938 -7.7938 1.7824 1.7824 3.5126 3.5126 3.5252 3.5252 4.8981 4.8981 10.0940 10.0940 12.3115 12.3115 12.3128 12.3128 k = 0.0000 0.0000 0.2506 ( 6896 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9469 -19.9469 -19.8178 -19.8178 -19.7233 -19.7233 -19.4455 -19.4455 -19.2623 -19.2623 -19.1572 -19.1572 -7.7945 -7.7945 1.7478 1.7478 3.5200 3.5200 3.5326 3.5326 5.0090 5.0090 9.9594 9.9594 12.2486 12.2486 12.2497 12.2497 k = 0.0000 0.0000 0.2632 ( 6902 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9469 -19.9469 -19.8178 -19.8178 -19.7237 -19.7237 -19.4457 -19.4457 -19.2623 -19.2623 -19.1572 -19.1572 -7.7952 -7.7952 1.7151 1.7151 3.5274 3.5274 3.5400 3.5400 5.1209 5.1209 9.8255 9.8255 12.1874 12.1874 12.1885 12.1885 k = 0.0000 0.0000 0.2757 ( 6902 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9469 -19.9469 -19.8177 -19.8177 -19.7241 -19.7241 -19.4458 -19.4458 -19.2623 -19.2623 -19.1572 -19.1572 -7.7960 -7.7960 1.6843 1.6843 3.5348 3.5348 3.5474 3.5474 5.2337 5.2337 9.6924 9.6924 12.1284 12.1284 12.1293 12.1293 k = 0.0000 0.0000 0.2882 ( 6890 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9468 -19.9468 -19.8177 -19.8177 -19.7244 -19.7244 -19.4460 -19.4460 -19.2623 -19.2623 -19.1572 -19.1572 -7.7967 -7.7967 1.6554 1.6554 3.5420 3.5420 3.5546 3.5546 5.3472 5.3472 9.5603 9.5603 12.0717 12.0717 12.0726 12.0726 k = 0.0000 0.0000 0.3008 ( 6896 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9468 -19.9468 -19.8177 -19.8177 -19.7248 -19.7248 -19.4461 -19.4461 -19.2623 -19.2623 -19.1572 -19.1572 -7.7974 -7.7974 1.6284 1.6284 3.5490 3.5490 3.5616 3.5616 5.4612 5.4612 9.4293 9.4293 12.0176 12.0176 12.0184 12.0184 k = 0.0000 0.0000 0.3133 ( 6908 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9468 -19.9468 -19.8176 -19.8176 -19.7251 -19.7251 -19.4462 -19.4462 -19.2623 -19.2623 -19.1572 -19.1572 -7.7980 -7.7980 1.6033 1.6033 3.5558 3.5558 3.5685 3.5685 5.5754 5.5754 9.2997 9.2997 11.9663 11.9663 11.9671 11.9671 k = 0.0000 0.0000 0.3258 ( 6920 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2680 -41.2680 -19.9468 -19.9468 -19.8176 -19.8176 -19.7254 -19.7254 -19.4463 -19.4463 -19.2623 -19.2623 -19.1572 -19.1572 -7.7987 -7.7987 1.5801 1.5801 3.5624 3.5624 3.5750 3.5750 5.6895 5.6895 9.1716 9.1716 11.9181 11.9181 11.9188 11.9188 k = 0.0000 0.0000 0.3383 ( 6914 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9468 -19.9468 -19.8176 -19.8176 -19.7257 -19.7257 -19.4465 -19.4465 -19.2623 -19.2623 -19.1571 -19.1571 -7.7993 -7.7993 1.5587 1.5587 3.5686 3.5686 3.5813 3.5813 5.8031 5.8031 9.0454 9.0454 11.8731 11.8731 11.8737 11.8737 k = 0.0000 0.0000 0.3509 ( 6914 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8176 -19.8176 -19.7260 -19.7260 -19.4466 -19.4466 -19.2623 -19.2623 -19.1571 -19.1571 -7.7998 -7.7998 1.5393 1.5393 3.5744 3.5744 3.5872 3.5872 5.9158 5.9158 8.9215 8.9215 11.8314 11.8314 11.8320 11.8320 k = 0.0000 0.0000 0.3634 ( 6902 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8176 -19.8176 -19.7263 -19.7263 -19.4467 -19.4467 -19.2623 -19.2623 -19.1571 -19.1571 -7.8004 -7.8004 1.5218 1.5218 3.5799 3.5799 3.5926 3.5926 6.0269 6.0269 8.8004 8.8004 11.7933 11.7933 11.7938 11.7938 k = 0.0000 0.0000 0.3759 ( 6902 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7265 -19.7265 -19.4468 -19.4468 -19.2623 -19.2623 -19.1571 -19.1571 -7.8008 -7.8008 1.5061 1.5061 3.5849 3.5849 3.5977 3.5977 6.1357 6.1357 8.6828 8.6828 11.7588 11.7588 11.7593 11.7593 k = 0.0000 0.0000 0.3885 ( 6914 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7267 -19.7267 -19.4468 -19.4468 -19.2623 -19.2623 -19.1571 -19.1571 -7.8013 -7.8013 1.4923 1.4923 3.5894 3.5894 3.6022 3.6022 6.2413 6.2413 8.5697 8.5697 11.7282 11.7282 11.7286 11.7286 k = 0.0000 0.0000 0.4010 ( 6908 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7269 -19.7269 -19.4469 -19.4469 -19.2623 -19.2623 -19.1571 -19.1571 -7.8017 -7.8017 1.4803 1.4803 3.5934 3.5934 3.6062 3.6062 6.3421 6.3421 8.4623 8.4623 11.7014 11.7014 11.7018 11.7018 k = 0.0000 0.0000 0.4135 ( 6908 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7271 -19.7271 -19.4470 -19.4470 -19.2623 -19.2623 -19.1571 -19.1571 -7.8020 -7.8020 1.4702 1.4702 3.5968 3.5968 3.6096 3.6096 6.4365 6.4365 8.3626 8.3626 11.6786 11.6786 11.6789 11.6789 k = 0.0000 0.0000 0.4261 ( 6926 PWs) bands (ev): -47.7108 -47.7108 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7272 -19.7272 -19.4470 -19.4470 -19.2623 -19.2623 -19.1571 -19.1571 -7.8023 -7.8023 1.4620 1.4620 3.5997 3.5997 3.6125 3.6125 6.5218 6.5218 8.2729 8.2729 11.6598 11.6598 11.6601 11.6601 k = 0.0000 0.0000 0.4386 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9467 -19.9467 -19.8175 -19.8175 -19.7273 -19.7273 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8025 -7.8025 1.4555 1.4555 3.6019 3.6019 3.6147 3.6147 6.5949 6.5949 8.1965 8.1965 11.6451 11.6451 11.6454 11.6454 k = 0.0000 0.0000 0.4511 ( 6950 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7274 -19.7274 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8026 -7.8026 1.4510 1.4510 3.6035 3.6035 3.6163 3.6163 6.6518 6.6518 8.1372 8.1372 11.6346 11.6346 11.6349 11.6349 k = 0.0000 0.0000 0.4637 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7274 -19.7274 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8027 -7.8027 1.4482 1.4482 3.6045 3.6045 3.6173 3.6173 6.6882 6.6882 8.0993 8.0993 11.6283 11.6283 11.6286 11.6286 k = 0.0000 0.0000 0.4762 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7274 -19.7274 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8028 -7.8028 1.4473 1.4473 3.6048 3.6048 3.6176 3.6176 6.7008 6.7008 8.0863 8.0863 11.6262 11.6262 11.6265 11.6265 k = 0.0000 0.0000 0.4762 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7274 -19.7274 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8028 -7.8028 1.4473 1.4473 3.6048 3.6048 3.6176 3.6176 6.7008 6.7008 8.0863 8.0863 11.6262 11.6262 11.6265 11.6265 k = 0.0109 0.0063 0.4762 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7273 -19.7273 -19.4472 -19.4472 -19.2623 -19.2623 -19.1571 -19.1571 -7.8024 -7.8024 1.4482 1.4482 3.6037 3.6037 3.6166 3.6166 6.6994 6.6994 8.0895 8.0895 11.6189 11.6189 11.6205 11.6205 k = 0.0217 0.0126 0.4762 ( 6934 PWs) bands (ev): -47.7105 -47.7105 -47.4492 -47.4492 -41.2679 -41.2679 -19.9466 -19.9466 -19.8178 -19.8178 -19.7270 -19.7270 -19.4474 -19.4474 -19.2623 -19.2623 -19.1572 -19.1572 -7.8012 -7.8012 1.4509 1.4509 3.5995 3.5995 3.6146 3.6146 6.6951 6.6951 8.0991 8.0991 11.5973 11.5973 11.6028 11.6028 k = 0.0326 0.0188 0.4762 ( 6934 PWs) bands (ev): -47.7101 -47.7101 -47.4496 -47.4496 -41.2679 -41.2679 -19.9465 -19.9465 -19.8182 -19.8182 -19.7266 -19.7266 -19.4477 -19.4477 -19.2622 -19.2622 -19.1575 -19.1575 -7.7993 -7.7993 1.4554 1.4554 3.5910 3.5910 3.6128 3.6128 6.6879 6.6879 8.1151 8.1151 11.5625 11.5625 11.5734 11.5734 k = 0.0435 0.0251 0.4762 ( 6934 PWs) bands (ev): -47.7097 -47.7097 -47.4500 -47.4500 -41.2679 -41.2679 -19.9465 -19.9465 -19.8187 -19.8187 -19.7259 -19.7259 -19.4482 -19.4482 -19.2622 -19.2622 -19.1577 -19.1577 -7.7966 -7.7966 1.4616 1.4616 3.5779 3.5779 3.6116 3.6116 6.6779 6.6779 8.1373 8.1373 11.5163 11.5163 11.5321 11.5321 k = 0.0543 0.0314 0.4762 ( 6926 PWs) bands (ev): -47.7091 -47.7091 -47.4507 -47.4507 -41.2679 -41.2679 -19.9464 -19.9464 -19.8193 -19.8193 -19.7250 -19.7250 -19.4488 -19.4488 -19.2621 -19.2621 -19.1581 -19.1581 -7.7931 -7.7931 1.4697 1.4697 3.5607 3.5607 3.6107 3.6107 6.6651 6.6651 8.1655 8.1655 11.4608 11.4608 11.4790 11.4790 k = 0.0652 0.0377 0.4762 ( 6930 PWs) bands (ev): -47.7083 -47.7083 -47.4514 -47.4514 -41.2679 -41.2679 -19.9463 -19.9463 -19.8201 -19.8201 -19.7239 -19.7239 -19.4496 -19.4496 -19.2621 -19.2621 -19.1584 -19.1584 -7.7889 -7.7889 1.4795 1.4795 3.5399 3.5399 3.6099 3.6099 6.6494 6.6494 8.1996 8.1996 11.3978 11.3978 11.4148 11.4148 k = 0.0761 0.0439 0.4762 ( 6908 PWs) bands (ev): -47.7075 -47.7075 -47.4523 -47.4523 -41.2679 -41.2679 -19.9462 -19.9462 -19.8209 -19.8209 -19.7227 -19.7227 -19.4504 -19.4504 -19.2622 -19.2622 -19.1588 -19.1588 -7.7840 -7.7840 1.4911 1.4911 3.5157 3.5157 3.6091 3.6091 6.6309 6.6309 8.2392 8.2392 11.3291 11.3291 11.3399 11.3399 k = 0.0870 0.0502 0.4762 ( 6926 PWs) bands (ev): -47.7065 -47.7065 -47.4533 -47.4533 -41.2679 -41.2679 -19.9461 -19.9461 -19.8218 -19.8218 -19.7213 -19.7213 -19.4515 -19.4515 -19.2623 -19.2623 -19.1592 -19.1592 -7.7785 -7.7785 1.5045 1.5045 3.4885 3.4885 3.6082 3.6082 6.6096 6.6096 8.2842 8.2842 11.2554 11.2554 11.2562 11.2562 k = 0.0978 0.0565 0.4762 ( 6926 PWs) bands (ev): -47.7053 -47.7053 -47.4544 -47.4544 -41.2679 -41.2679 -19.9461 -19.9461 -19.8228 -19.8228 -19.7198 -19.7198 -19.4526 -19.4526 -19.2626 -19.2626 -19.1595 -19.1595 -7.7722 -7.7722 1.5196 1.5196 3.4585 3.4585 3.6073 3.6073 6.5856 6.5856 8.3341 8.3341 11.1627 11.1627 11.1804 11.1804 k = 0.1087 0.0628 0.4762 ( 6934 PWs) bands (ev): -47.7041 -47.7041 -47.4557 -47.4557 -41.2679 -41.2679 -19.9461 -19.9461 -19.8238 -19.8238 -19.7180 -19.7180 -19.4539 -19.4539 -19.2630 -19.2630 -19.1597 -19.1597 -7.7653 -7.7653 1.5364 1.5364 3.4260 3.4260 3.6063 3.6063 6.5589 6.5589 8.3887 8.3887 11.0631 11.0631 11.1027 11.1027 k = 0.1196 0.0690 0.4762 ( 6936 PWs) bands (ev): -47.7027 -47.7027 -47.4571 -47.4571 -41.2679 -41.2679 -19.9462 -19.9462 -19.8247 -19.8247 -19.7162 -19.7162 -19.4553 -19.4553 -19.2635 -19.2635 -19.1598 -19.1598 -7.7579 -7.7579 1.5550 1.5550 3.3914 3.3914 3.6053 3.6053 6.5294 6.5294 8.4478 8.4478 10.9581 10.9581 11.0239 11.0239 k = 0.1304 0.0753 0.4762 ( 6928 PWs) bands (ev): -47.7012 -47.7012 -47.4586 -47.4586 -41.2679 -41.2679 -19.9464 -19.9464 -19.8256 -19.8256 -19.7142 -19.7142 -19.4568 -19.4568 -19.2643 -19.2643 -19.1598 -19.1598 -7.7498 -7.7498 1.5752 1.5752 3.3549 3.3549 3.6041 3.6041 6.4973 6.4973 8.5108 8.5108 10.8490 10.8490 10.9448 10.9448 k = 0.1413 0.0816 0.4762 ( 6916 PWs) bands (ev): -47.6996 -47.6996 -47.4602 -47.4602 -41.2678 -41.2678 -19.9466 -19.9466 -19.8265 -19.8265 -19.7120 -19.7120 -19.4584 -19.4584 -19.2653 -19.2653 -19.1596 -19.1596 -7.7413 -7.7413 1.5972 1.5972 3.3168 3.3168 3.6030 3.6030 6.4626 6.4626 8.5776 8.5776 10.7373 10.7373 10.8658 10.8658 k = 0.1522 0.0879 0.4762 ( 6916 PWs) bands (ev): -47.6979 -47.6979 -47.4620 -47.4620 -41.2678 -41.2678 -19.9470 -19.9470 -19.8273 -19.8273 -19.7098 -19.7098 -19.4602 -19.4602 -19.2666 -19.2666 -19.1593 -19.1593 -7.7322 -7.7322 1.6207 1.6207 3.2774 3.2774 3.6017 3.6017 6.4253 6.4253 8.6478 8.6478 10.6240 10.6240 10.7874 10.7874 k = 0.1630 0.0941 0.4762 ( 6924 PWs) bands (ev): -47.6960 -47.6960 -47.4639 -47.4639 -41.2678 -41.2678 -19.9475 -19.9475 -19.8280 -19.8280 -19.7074 -19.7074 -19.4621 -19.4621 -19.2681 -19.2681 -19.1587 -19.1587 -7.7227 -7.7227 1.6459 1.6459 3.2370 3.2370 3.6004 3.6004 6.3855 6.3855 8.7210 8.7210 10.5101 10.5101 10.7100 10.7100 k = 0.1739 0.1004 0.4762 ( 6930 PWs) bands (ev): -47.6941 -47.6941 -47.4659 -47.4659 -41.2678 -41.2678 -19.9480 -19.9480 -19.8286 -19.8286 -19.7048 -19.7048 -19.4641 -19.4641 -19.2698 -19.2698 -19.1580 -19.1580 -7.7129 -7.7129 1.6727 1.6727 3.1958 3.1958 3.5991 3.5991 6.3431 6.3431 8.7970 8.7970 10.3967 10.3967 10.6339 10.6339 k = 0.1848 0.1067 0.4762 ( 6934 PWs) bands (ev): -47.6920 -47.6920 -47.4679 -47.4679 -41.2678 -41.2678 -19.9488 -19.9488 -19.8291 -19.8291 -19.7022 -19.7022 -19.4662 -19.4662 -19.2718 -19.2718 -19.1570 -19.1570 -7.7026 -7.7026 1.7011 1.7011 3.1541 3.1541 3.5977 3.5977 6.2984 6.2984 8.8755 8.8755 10.2844 10.2844 10.5593 10.5593 k = 0.1957 0.1130 0.4762 ( 6934 PWs) bands (ev): -47.6898 -47.6898 -47.4701 -47.4701 -41.2678 -41.2678 -19.9496 -19.9496 -19.8294 -19.8294 -19.6994 -19.6994 -19.4684 -19.4684 -19.2741 -19.2741 -19.1558 -19.1558 -7.6921 -7.6921 1.7309 1.7309 3.1122 3.1122 3.5962 3.5962 6.2513 6.2513 8.9561 8.9561 10.1739 10.1739 10.4863 10.4863 k = 0.2065 0.1192 0.4762 ( 6922 PWs) bands (ev): -47.6876 -47.6876 -47.4724 -47.4724 -41.2678 -41.2678 -19.9506 -19.9506 -19.8296 -19.8296 -19.6966 -19.6966 -19.4708 -19.4708 -19.2765 -19.2765 -19.1545 -19.1545 -7.6813 -7.6813 1.7622 1.7622 3.0702 3.0702 3.5948 3.5948 6.2019 6.2019 9.0385 9.0385 10.0658 10.0658 10.4152 10.4152 k = 0.2174 0.1255 0.4762 ( 6922 PWs) bands (ev): -47.6852 -47.6852 -47.4748 -47.4748 -41.2678 -41.2678 -19.9517 -19.9517 -19.8296 -19.8296 -19.6936 -19.6936 -19.4733 -19.4733 -19.2792 -19.2792 -19.1530 -19.1530 -7.6704 -7.6704 1.7950 1.7950 3.0283 3.0283 3.5933 3.5933 6.1504 6.1504 9.1225 9.1225 9.9604 9.9604 10.3461 10.3461 k = 0.2283 0.1318 0.4762 ( 6918 PWs) bands (ev): -47.6828 -47.6828 -47.4773 -47.4773 -41.2677 -41.2677 -19.9530 -19.9530 -19.8295 -19.8295 -19.6905 -19.6905 -19.4758 -19.4758 -19.2821 -19.2821 -19.1513 -19.1513 -7.6593 -7.6593 1.8291 1.8291 2.9867 2.9867 3.5918 3.5918 6.0968 6.0968 9.2077 9.2077 9.8583 9.8583 10.2791 10.2791 k = 0.2391 0.1381 0.4762 ( 6914 PWs) bands (ev): -47.6802 -47.6802 -47.4799 -47.4799 -41.2677 -41.2677 -19.9544 -19.9544 -19.8292 -19.8292 -19.6873 -19.6873 -19.4785 -19.4785 -19.2851 -19.2851 -19.1495 -19.1495 -7.6481 -7.6481 1.8645 1.8645 2.9457 2.9457 3.5903 3.5903 6.0413 6.0413 9.2939 9.2939 9.7596 9.7596 10.2143 10.2143 k = 0.2500 0.1443 0.4762 ( 6914 PWs) bands (ev): -47.6776 -47.6776 -47.4825 -47.4825 -41.2677 -41.2677 -19.9558 -19.9558 -19.8289 -19.8289 -19.6840 -19.6840 -19.4813 -19.4813 -19.2883 -19.2883 -19.1476 -19.1476 -7.6368 -7.6368 1.9011 1.9011 2.9054 2.9054 3.5887 3.5887 5.9840 5.9840 9.3808 9.3808 9.6647 9.6647 10.1518 10.1518 k = 0.2609 0.1506 0.4762 ( 6926 PWs) bands (ev): -47.6749 -47.6749 -47.4852 -47.4852 -41.2677 -41.2677 -19.9574 -19.9574 -19.8284 -19.8284 -19.6807 -19.6807 -19.4842 -19.4842 -19.2915 -19.2915 -19.1456 -19.1456 -7.6256 -7.6256 1.9389 1.9389 2.8659 2.8659 3.5872 3.5872 5.9251 5.9251 9.4680 9.4680 9.5738 9.5738 10.0916 10.0916 k = 0.2717 0.1569 0.4762 ( 6930 PWs) bands (ev): -47.6722 -47.6722 -47.4880 -47.4880 -41.2677 -41.2677 -19.9591 -19.9591 -19.8278 -19.8278 -19.6772 -19.6772 -19.4871 -19.4871 -19.2949 -19.2949 -19.1435 -19.1435 -7.6144 -7.6144 1.9777 1.9777 2.8273 2.8273 3.5857 3.5857 5.8647 5.8647 9.4870 9.4870 9.5555 9.5555 10.0338 10.0338 k = 0.2826 0.1632 0.4762 ( 6930 PWs) bands (ev): -47.6694 -47.6694 -47.4909 -47.4909 -41.2677 -41.2677 -19.9608 -19.9608 -19.8270 -19.8270 -19.6737 -19.6737 -19.4902 -19.4902 -19.2982 -19.2982 -19.1414 -19.1414 -7.6033 -7.6033 2.0174 2.0174 2.7899 2.7899 3.5842 3.5842 5.8032 5.8032 9.4045 9.4045 9.6427 9.6427 9.9785 9.9785 k = 0.2935 0.1694 0.4762 ( 6934 PWs) bands (ev): -47.6665 -47.6665 -47.4938 -47.4938 -41.2677 -41.2677 -19.9625 -19.9625 -19.8263 -19.8263 -19.6701 -19.6701 -19.4934 -19.4934 -19.3016 -19.3016 -19.1392 -19.1392 -7.5925 -7.5925 2.0580 2.0580 2.7537 2.7537 3.5827 3.5827 5.7406 5.7406 9.3262 9.3262 9.7294 9.7294 9.9257 9.9257 k = 0.3043 0.1757 0.4762 ( 6942 PWs) bands (ev): -47.6636 -47.6636 -47.4967 -47.4967 -41.2676 -41.2676 -19.9643 -19.9643 -19.8254 -19.8254 -19.6664 -19.6664 -19.4966 -19.4966 -19.3049 -19.3049 -19.1371 -19.1371 -7.5818 -7.5818 2.0992 2.0992 2.7188 2.7188 3.5813 3.5813 5.6773 5.6773 9.2523 9.2523 9.8154 9.8154 9.8755 9.8755 k = 0.3152 0.1820 0.4762 ( 6942 PWs) bands (ev): -47.6607 -47.6607 -47.4996 -47.4996 -41.2676 -41.2676 -19.9661 -19.9661 -19.8245 -19.8245 -19.6627 -19.6627 -19.4999 -19.4999 -19.3082 -19.3082 -19.1350 -19.1350 -7.5714 -7.5714 2.1410 2.1410 2.6853 2.6853 3.5799 3.5799 5.6136 5.6136 9.1828 9.1828 9.8278 9.8278 9.9003 9.9003 k = 0.3261 0.1883 0.4762 ( 6950 PWs) bands (ev): -47.6577 -47.6577 -47.5026 -47.5026 -41.2676 -41.2676 -19.9679 -19.9679 -19.8236 -19.8236 -19.6589 -19.6589 -19.5033 -19.5033 -19.3114 -19.3114 -19.1329 -19.1329 -7.5613 -7.5613 2.1832 2.1832 2.6534 2.6534 3.5785 3.5785 5.5498 5.5498 9.1177 9.1177 9.7827 9.7827 9.9839 9.9839 k = 0.3370 0.1945 0.4762 ( 6948 PWs) bands (ev): -47.6547 -47.6547 -47.5056 -47.5056 -41.2676 -41.2676 -19.9697 -19.9697 -19.8227 -19.8227 -19.6551 -19.6551 -19.5068 -19.5068 -19.3146 -19.3146 -19.1308 -19.1308 -7.5516 -7.5516 2.2254 2.2254 2.6230 2.6230 3.5772 3.5772 5.4862 5.4862 9.0570 9.0570 9.7403 9.7403 10.0657 10.0657 k = 0.3478 0.2008 0.4762 ( 6938 PWs) bands (ev): -47.6518 -47.6518 -47.5086 -47.5086 -41.2676 -41.2676 -19.9714 -19.9714 -19.8217 -19.8217 -19.6512 -19.6512 -19.5103 -19.5103 -19.3176 -19.3176 -19.1289 -19.1289 -7.5422 -7.5422 2.2677 2.2677 2.5944 2.5944 3.5760 3.5760 5.4231 5.4231 9.0006 9.0006 9.7005 9.7005 10.1454 10.1454 k = 0.3587 0.2071 0.4762 ( 6934 PWs) bands (ev): -47.6488 -47.6488 -47.5116 -47.5116 -41.2676 -41.2676 -19.9730 -19.9730 -19.8208 -19.8208 -19.6473 -19.6473 -19.5139 -19.5139 -19.3205 -19.3205 -19.1270 -19.1270 -7.5334 -7.5334 2.3095 2.3095 2.5674 2.5674 3.5748 3.5748 5.3611 5.3611 8.9485 8.9485 9.6634 9.6634 10.2226 10.2226 k = 0.3696 0.2134 0.4762 ( 6934 PWs) bands (ev): -47.6459 -47.6459 -47.5145 -47.5145 -41.2676 -41.2676 -19.9746 -19.9746 -19.8199 -19.8199 -19.6435 -19.6435 -19.5174 -19.5174 -19.3232 -19.3232 -19.1252 -19.1252 -7.5250 -7.5250 2.3508 2.3508 2.5423 2.5423 3.5736 3.5736 5.3005 5.3005 8.9006 8.9006 9.6290 9.6290 10.2971 10.2971 k = 0.3804 0.2196 0.4762 ( 6932 PWs) bands (ev): -47.6431 -47.6431 -47.5174 -47.5174 -41.2676 -41.2676 -19.9762 -19.9762 -19.8190 -19.8190 -19.6396 -19.6396 -19.5210 -19.5210 -19.3258 -19.3258 -19.1235 -19.1235 -7.5171 -7.5171 2.3912 2.3912 2.5190 2.5190 3.5726 3.5726 5.2418 5.2418 8.8569 8.8569 9.5973 9.5973 10.3683 10.3683 k = 0.3913 0.2259 0.4762 ( 6928 PWs) bands (ev): -47.6403 -47.6403 -47.5202 -47.5202 -41.2675 -41.2675 -19.9776 -19.9776 -19.8182 -19.8182 -19.6358 -19.6358 -19.5246 -19.5246 -19.3282 -19.3282 -19.1219 -19.1219 -7.5098 -7.5098 2.4302 2.4302 2.4976 2.4976 3.5716 3.5716 5.1854 5.1854 8.8173 8.8173 9.5683 9.5683 10.4358 10.4358 k = 0.4022 0.2322 0.4762 ( 6928 PWs) bands (ev): -47.6376 -47.6376 -47.5229 -47.5229 -41.2675 -41.2675 -19.9789 -19.9789 -19.8174 -19.8174 -19.6320 -19.6320 -19.5281 -19.5281 -19.3304 -19.3304 -19.1204 -19.1204 -7.5031 -7.5031 2.4666 2.4666 2.4791 2.4791 3.5707 3.5707 5.1319 5.1319 8.7817 8.7817 9.5420 9.5420 10.4991 10.4991 k = 0.4130 0.2385 0.4762 ( 6928 PWs) bands (ev): -47.6351 -47.6351 -47.5254 -47.5254 -41.2675 -41.2675 -19.9801 -19.9801 -19.8167 -19.8167 -19.6284 -19.6284 -19.5316 -19.5316 -19.3324 -19.3324 -19.1191 -19.1191 -7.4970 -7.4970 2.4601 2.4601 2.5034 2.5034 3.5699 3.5699 5.0819 5.0819 8.7500 8.7500 9.5185 9.5185 10.5579 10.5579 k = 0.4239 0.2447 0.4762 ( 6928 PWs) bands (ev): -47.6327 -47.6327 -47.5278 -47.5278 -41.2675 -41.2675 -19.9812 -19.9812 -19.8160 -19.8160 -19.6249 -19.6249 -19.5349 -19.5349 -19.3341 -19.3341 -19.1179 -19.1179 -7.4916 -7.4916 2.4447 2.4447 2.5360 2.5360 3.5691 3.5691 5.0359 5.0359 8.7223 8.7223 9.4977 9.4977 10.6116 10.6116 k = 0.4348 0.2510 0.4762 ( 6936 PWs) bands (ev): -47.6306 -47.6306 -47.5300 -47.5300 -41.2675 -41.2675 -19.9822 -19.9822 -19.8154 -19.8154 -19.6216 -19.6216 -19.5381 -19.5381 -19.3357 -19.3357 -19.1168 -19.1168 -7.4868 -7.4868 2.4312 2.4312 2.5657 2.5657 3.5685 3.5685 4.9944 4.9944 8.6983 8.6983 9.4797 9.4797 10.6596 10.6596 k = 0.4457 0.2573 0.4762 ( 6940 PWs) bands (ev): -47.6286 -47.6286 -47.5319 -47.5319 -41.2675 -41.2675 -19.9830 -19.9830 -19.8149 -19.8149 -19.6185 -19.6185 -19.5410 -19.5410 -19.3370 -19.3370 -19.1159 -19.1159 -7.4827 -7.4827 2.4198 2.4198 2.5920 2.5920 3.5680 3.5680 4.9581 4.9581 8.6782 8.6782 9.4644 9.4644 10.7014 10.7014 k = 0.4565 0.2636 0.4762 ( 6946 PWs) bands (ev): -47.6270 -47.6270 -47.5336 -47.5336 -41.2675 -41.2675 -19.9837 -19.9837 -19.8145 -19.8145 -19.6158 -19.6158 -19.5436 -19.5436 -19.3381 -19.3381 -19.1152 -19.1152 -7.4794 -7.4794 2.4104 2.4104 2.6142 2.6142 3.5675 3.5675 4.9275 4.9275 8.6618 8.6618 9.4520 9.4520 10.7366 10.7366 k = 0.4674 0.2698 0.4762 ( 6954 PWs) bands (ev): -47.6257 -47.6257 -47.5349 -47.5349 -41.2675 -41.2675 -19.9842 -19.9842 -19.8142 -19.8142 -19.6136 -19.6136 -19.5458 -19.5458 -19.3390 -19.3390 -19.1146 -19.1146 -7.4768 -7.4768 2.4030 2.4030 2.6320 2.6320 3.5672 3.5672 4.9032 4.9032 8.6491 8.6491 9.4422 9.4422 10.7645 10.7645 k = 0.4783 0.2761 0.4762 ( 6954 PWs) bands (ev): -47.6247 -47.6247 -47.5359 -47.5359 -41.2675 -41.2675 -19.9846 -19.9846 -19.8140 -19.8140 -19.6118 -19.6118 -19.5474 -19.5474 -19.3396 -19.3396 -19.1142 -19.1142 -7.4749 -7.4749 2.3978 2.3978 2.6451 2.6451 3.5669 3.5669 4.8854 4.8854 8.6400 8.6400 9.4353 9.4353 10.7848 10.7848 k = 0.4891 0.2824 0.4762 ( 6954 PWs) bands (ev): -47.6241 -47.6241 -47.5365 -47.5365 -41.2675 -41.2675 -19.9848 -19.9848 -19.8138 -19.8138 -19.6108 -19.6108 -19.5485 -19.5485 -19.3399 -19.3399 -19.1140 -19.1140 -7.4738 -7.4738 2.3946 2.3946 2.6530 2.6530 3.5668 3.5668 4.8746 4.8746 8.6346 8.6346 9.4311 9.4311 10.7972 10.7972 k = 0.5000 0.2887 0.4762 ( 6964 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6104 -19.6104 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4734 -7.4734 2.3936 2.3936 2.6557 2.6557 3.5667 3.5667 4.8710 4.8710 8.6328 8.6328 9.4297 9.4297 10.8013 10.8013 k = 0.5000 0.2887 0.4762 ( 6964 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6104 -19.6104 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4734 -7.4734 2.3936 2.3936 2.6557 2.6557 3.5667 3.5667 4.8710 4.8710 8.6328 8.6328 9.4297 9.4297 10.8013 10.8013 k = 0.4938 0.2994 0.4762 ( 6958 PWs) bands (ev): -47.6238 -47.6238 -47.5368 -47.5368 -41.2675 -41.2675 -19.9853 -19.9853 -19.8132 -19.8132 -19.6103 -19.6103 -19.5489 -19.5489 -19.3405 -19.3405 -19.1137 -19.1137 -7.4733 -7.4733 2.3944 2.3944 2.6561 2.6561 3.5652 3.5652 4.8723 4.8723 8.6083 8.6083 9.4538 9.4538 10.8042 10.8042 k = 0.4877 0.3101 0.4762 ( 6958 PWs) bands (ev): -47.6236 -47.6236 -47.5370 -47.5370 -41.2675 -41.2675 -19.9865 -19.9865 -19.8116 -19.8116 -19.6100 -19.6100 -19.5490 -19.5490 -19.3416 -19.3416 -19.1132 -19.1132 -7.4730 -7.4730 2.3967 2.3967 2.6575 2.6575 3.5607 3.5607 4.8762 4.8762 8.5422 8.5422 9.5185 9.5185 10.8129 10.8129 k = 0.4815 0.3208 0.4762 ( 6956 PWs) bands (ev): -47.6233 -47.6233 -47.5373 -47.5373 -41.2675 -41.2675 -19.9884 -19.9884 -19.8089 -19.8089 -19.6096 -19.6096 -19.5492 -19.5492 -19.3435 -19.3435 -19.1124 -19.1124 -7.4726 -7.4726 2.4006 2.4006 2.6597 2.6597 3.5532 3.5532 4.8826 4.8826 8.4486 8.4486 9.6096 9.6096 10.8274 10.8274 k = 0.4753 0.3314 0.4762 ( 6948 PWs) bands (ev): -47.6228 -47.6228 -47.5377 -47.5377 -41.2675 -41.2675 -19.9909 -19.9909 -19.8052 -19.8052 -19.6090 -19.6090 -19.5495 -19.5495 -19.3462 -19.3462 -19.1113 -19.1113 -7.4719 -7.4719 2.4061 2.4061 2.6627 2.6627 3.5429 3.5429 4.8917 4.8917 8.3390 8.3390 9.7156 9.7156 10.8475 10.8475 k = 0.4691 0.3421 0.4762 ( 6948 PWs) bands (ev): -47.6222 -47.6222 -47.5383 -47.5383 -41.2675 -41.2675 -19.9940 -19.9940 -19.8008 -19.8008 -19.6083 -19.6083 -19.5498 -19.5498 -19.3495 -19.3495 -19.1099 -19.1099 -7.4711 -7.4711 2.4131 2.4131 2.6666 2.6666 3.5298 3.5298 4.9033 4.9033 8.2203 8.2203 9.8293 9.8293 10.8732 10.8732 k = 0.4630 0.3528 0.4762 ( 6948 PWs) bands (ev): -47.6215 -47.6215 -47.5391 -47.5391 -41.2675 -41.2675 -19.9975 -19.9975 -19.7956 -19.7956 -19.6073 -19.6073 -19.5502 -19.5502 -19.3535 -19.3535 -19.1082 -19.1082 -7.4702 -7.4702 2.4217 2.4217 2.6713 2.6713 3.5139 3.5139 4.9175 4.9175 8.0966 8.0966 9.9466 9.9466 10.9042 10.9042 k = 0.4568 0.3635 0.4762 ( 6928 PWs) bands (ev): -47.6207 -47.6207 -47.5399 -47.5399 -41.2675 -41.2675 -20.0013 -20.0013 -19.7898 -19.7898 -19.6062 -19.6062 -19.5507 -19.5507 -19.3581 -19.3581 -19.1064 -19.1064 -7.4691 -7.4691 2.4317 2.4317 2.6767 2.6767 3.4955 3.4955 4.9343 4.9343 7.9700 7.9700 10.0647 10.0647 10.9405 10.9405 k = 0.4506 0.3742 0.4762 ( 6928 PWs) bands (ev): -47.6197 -47.6197 -47.5409 -47.5409 -41.2675 -41.2675 -20.0054 -20.0054 -19.7835 -19.7835 -19.6049 -19.6049 -19.5512 -19.5512 -19.3633 -19.3633 -19.1045 -19.1045 -7.4678 -7.4678 2.4432 2.4432 2.6829 2.6829 3.4747 3.4747 4.9537 4.9537 7.8423 7.8423 10.1820 10.1820 10.9818 10.9818 k = 0.4444 0.3849 0.4762 ( 6932 PWs) bands (ev): -47.6186 -47.6186 -47.5420 -47.5420 -41.2675 -41.2675 -20.0096 -20.0096 -19.7769 -19.7769 -19.6035 -19.6035 -19.5517 -19.5517 -19.3690 -19.3690 -19.1024 -19.1024 -7.4664 -7.4664 2.4561 2.4561 2.6898 2.6898 3.4516 3.4516 4.9757 4.9757 7.7142 7.7142 10.2970 10.2970 11.0278 11.0278 k = 0.4383 0.3956 0.4762 ( 6936 PWs) bands (ev): -47.6174 -47.6174 -47.5432 -47.5432 -41.2675 -41.2675 -20.0138 -20.0138 -19.7699 -19.7699 -19.6019 -19.6019 -19.5522 -19.5522 -19.3751 -19.3751 -19.1002 -19.1002 -7.4649 -7.4649 2.4704 2.4704 2.6974 2.6974 3.4265 3.4265 5.0002 5.0002 7.5867 7.5867 10.4087 10.4087 11.0783 11.0783 k = 0.4321 0.4063 0.4762 ( 6936 PWs) bands (ev): -47.6161 -47.6161 -47.5445 -47.5445 -41.2675 -41.2675 -20.0181 -20.0181 -19.7628 -19.7628 -19.6002 -19.6002 -19.5527 -19.5527 -19.3817 -19.3817 -19.0980 -19.0980 -7.4633 -7.4633 2.4861 2.4861 2.7056 2.7056 3.3995 3.3995 5.0274 5.0274 7.4601 7.4601 10.5162 10.5162 11.1330 11.1330 k = 0.4259 0.4170 0.4762 ( 6938 PWs) bands (ev): -47.6146 -47.6146 -47.5460 -47.5460 -41.2675 -41.2675 -20.0223 -20.0223 -19.7556 -19.7556 -19.5984 -19.5984 -19.5531 -19.5531 -19.3886 -19.3886 -19.0958 -19.0958 -7.4616 -7.4616 2.5031 2.5031 2.7142 2.7142 3.3708 3.3708 5.0571 5.0571 7.3350 7.3350 10.6187 10.6187 11.1915 11.1915 k = 0.4198 0.4277 0.4762 ( 6942 PWs) bands (ev): -47.6130 -47.6130 -47.5476 -47.5476 -41.2675 -41.2675 -20.0264 -20.0264 -19.7483 -19.7483 -19.5964 -19.5964 -19.5534 -19.5534 -19.3958 -19.3958 -19.0936 -19.0936 -7.4599 -7.4599 2.5214 2.5214 2.7234 2.7234 3.3406 3.3406 5.0894 5.0894 7.2116 7.2116 10.7156 10.7156 11.2534 11.2534 k = 0.4136 0.4384 0.4762 ( 6946 PWs) bands (ev): -47.6114 -47.6114 -47.5493 -47.5493 -41.2675 -41.2675 -20.0303 -20.0303 -19.7412 -19.7412 -19.5945 -19.5945 -19.5536 -19.5536 -19.4034 -19.4034 -19.0915 -19.0915 -7.4581 -7.4581 2.5409 2.5409 2.7328 2.7328 3.3091 3.3091 5.1243 5.1243 7.0902 7.0902 10.8063 10.8063 11.3184 11.3184 k = 0.4074 0.4491 0.4762 ( 6930 PWs) bands (ev): -47.6096 -47.6096 -47.5511 -47.5511 -41.2675 -41.2675 -20.0340 -20.0340 -19.7341 -19.7341 -19.5925 -19.5925 -19.5534 -19.5534 -19.4111 -19.4111 -19.0894 -19.0894 -7.4563 -7.4563 2.5616 2.5616 2.7426 2.7426 3.2766 3.2766 5.1618 5.1618 6.9712 6.9712 10.8902 10.8902 11.3859 11.3859 k = 0.4012 0.4597 0.4762 ( 6922 PWs) bands (ev): -47.6077 -47.6077 -47.5530 -47.5530 -41.2675 -41.2675 -20.0376 -20.0376 -19.7273 -19.7273 -19.5905 -19.5905 -19.5530 -19.5530 -19.4191 -19.4191 -19.0874 -19.0874 -7.4544 -7.4544 2.5833 2.5833 2.7525 2.7525 3.2432 3.2432 5.2018 5.2018 6.8548 6.8548 10.9670 10.9670 11.4554 11.4554 k = 0.3951 0.4704 0.4762 ( 6926 PWs) bands (ev): -47.6056 -47.6056 -47.5550 -47.5550 -41.2675 -41.2675 -20.0409 -20.0409 -19.7208 -19.7208 -19.5887 -19.5887 -19.5520 -19.5520 -19.4271 -19.4271 -19.0856 -19.0856 -7.4526 -7.4526 2.6062 2.6062 2.7625 2.7625 3.2092 3.2092 5.2445 5.2445 6.7413 6.7413 11.0365 11.0365 11.5262 11.5262 k = 0.3889 0.4811 0.4762 ( 6930 PWs) bands (ev): -47.6035 -47.6035 -47.5571 -47.5571 -41.2675 -41.2675 -20.0439 -20.0439 -19.7147 -19.7147 -19.5872 -19.5872 -19.5506 -19.5506 -19.4353 -19.4353 -19.0839 -19.0839 -7.4509 -7.4509 2.6299 2.6299 2.7723 2.7723 3.1747 3.1747 5.2897 5.2897 6.6307 6.6307 11.0985 11.0985 11.5976 11.5976 k = 0.3827 0.4918 0.4762 ( 6934 PWs) bands (ev): -47.6013 -47.6013 -47.5593 -47.5593 -41.2675 -41.2675 -20.0466 -20.0466 -19.7089 -19.7089 -19.5859 -19.5859 -19.5484 -19.5484 -19.4436 -19.4436 -19.0823 -19.0823 -7.4492 -7.4492 2.6546 2.6546 2.7820 2.7820 3.1400 3.1400 5.3375 5.3375 6.5235 6.5235 11.1528 11.1528 11.6686 11.6686 k = 0.3765 0.5025 0.4762 ( 6942 PWs) bands (ev): -47.5990 -47.5990 -47.5617 -47.5617 -41.2675 -41.2675 -20.0491 -20.0491 -19.7037 -19.7037 -19.5849 -19.5849 -19.5456 -19.5456 -19.4518 -19.4518 -19.0809 -19.0809 -7.4476 -7.4476 2.6802 2.6802 2.7912 2.7912 3.1053 3.1053 5.3879 5.3879 6.4198 6.4198 11.1997 11.1997 11.7381 11.7381 k = 0.3704 0.5132 0.4762 ( 6946 PWs) bands (ev): -47.5966 -47.5966 -47.5641 -47.5641 -41.2675 -41.2675 -20.0512 -20.0512 -19.6991 -19.6991 -19.5842 -19.5842 -19.5421 -19.5421 -19.4600 -19.4600 -19.0796 -19.0796 -7.4462 -7.4462 2.7065 2.7065 2.7999 2.7999 3.0707 3.0707 5.4408 5.4408 6.3199 6.3199 11.2391 11.2391 11.8048 11.8048 k = 0.3642 0.5239 0.4762 ( 6942 PWs) bands (ev): -47.5941 -47.5941 -47.5666 -47.5666 -41.2675 -41.2675 -20.0530 -20.0530 -19.6951 -19.6951 -19.5837 -19.5837 -19.5380 -19.5380 -19.4682 -19.4682 -19.0786 -19.0786 -7.4448 -7.4448 2.7334 2.7334 2.8078 2.8078 3.0365 3.0365 5.4963 5.4963 6.2239 6.2239 11.2715 11.2715 11.8668 11.8668 k = 0.3580 0.5346 0.4762 ( 6950 PWs) bands (ev): -47.5915 -47.5915 -47.5692 -47.5692 -41.2675 -41.2675 -20.0545 -20.0545 -19.6917 -19.6917 -19.5834 -19.5834 -19.5333 -19.5333 -19.4761 -19.4761 -19.0777 -19.0777 -7.4437 -7.4437 2.7610 2.7610 2.8149 2.8149 3.0028 3.0028 5.5544 5.5544 6.1322 6.1322 11.2970 11.2970 11.9222 11.9222 k = 0.3519 0.5453 0.4762 ( 6948 PWs) bands (ev): -47.5888 -47.5888 -47.5719 -47.5719 -41.2675 -41.2675 -20.0557 -20.0557 -19.6891 -19.6891 -19.5832 -19.5832 -19.5282 -19.5282 -19.4837 -19.4837 -19.0770 -19.0770 -7.4428 -7.4428 2.7889 2.7889 2.8208 2.8208 2.9698 2.9698 5.6151 5.6151 6.0449 6.0449 11.3161 11.3161 11.9684 11.9684 k = 0.3457 0.5560 0.4762 ( 6948 PWs) bands (ev): -47.5861 -47.5861 -47.5746 -47.5746 -41.2675 -41.2675 -20.0565 -20.0565 -19.6871 -19.6871 -19.5831 -19.5831 -19.5229 -19.5229 -19.4907 -19.4907 -19.0765 -19.0765 -7.4421 -7.4421 2.8162 2.8162 2.8266 2.8266 2.9376 2.9376 5.6784 5.6784 5.9624 5.9624 11.3292 11.3292 12.0028 12.0214 k = 0.3395 0.5667 0.4762 ( 6948 PWs) bands (ev): -47.5832 -47.5832 -47.5774 -47.5774 -41.2675 -41.2675 -20.0570 -20.0570 -19.6860 -19.6860 -19.5830 -19.5830 -19.5182 -19.5182 -19.4966 -19.4966 -19.0762 -19.0762 -7.4416 -7.4416 2.8267 2.8267 2.8478 2.8478 2.9065 2.9065 5.7442 5.7442 5.8849 5.8849 11.3367 11.3367 12.0217 12.0217 k = 0.3333 0.5774 0.4762 ( 6948 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5159 -19.5159 -19.4993 -19.4993 -19.0761 -19.0761 -7.4415 -7.4415 2.8280 2.8280 2.8751 2.8751 2.8781 2.8781 5.8125 5.8125 5.8126 5.8126 11.3391 11.3391 12.0256 12.0256 k = 0.3333 0.5774 0.4762 ( 6948 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5159 -19.5159 -19.4993 -19.4993 -19.0761 -19.0761 -7.4415 -7.4415 2.8280 2.8280 2.8751 2.8751 2.8781 2.8781 5.8125 5.8125 5.8126 5.8126 11.3391 11.3391 12.0256 12.0256 k = 0.3270 0.5665 0.4762 ( 6948 PWs) bands (ev): -47.5834 -47.5834 -47.5773 -47.5773 -41.2675 -41.2675 -20.0570 -20.0570 -19.6860 -19.6860 -19.5830 -19.5830 -19.5182 -19.5182 -19.4966 -19.4966 -19.0762 -19.0762 -7.4417 -7.4417 2.8266 2.8266 2.8478 2.8478 2.9065 2.9065 5.7444 5.7444 5.8848 5.8848 11.3367 11.3367 12.0141 12.0141 k = 0.3208 0.5556 0.4762 ( 6948 PWs) bands (ev): -47.5864 -47.5864 -47.5742 -47.5742 -41.2675 -41.2675 -20.0565 -20.0565 -19.6872 -19.6872 -19.5833 -19.5833 -19.5227 -19.5227 -19.4907 -19.4907 -19.0765 -19.0765 -7.4422 -7.4422 2.8170 2.8170 2.8263 2.8263 2.9366 2.9366 5.6822 5.6822 5.9598 5.9598 11.3301 11.3301 11.9842 11.9842 k = 0.3145 0.5447 0.4762 ( 6944 PWs) bands (ev): -47.5896 -47.5896 -47.5711 -47.5711 -41.2675 -41.2675 -20.0556 -20.0556 -19.6890 -19.6890 -19.5838 -19.5838 -19.5274 -19.5274 -19.4838 -19.4838 -19.0770 -19.0770 -7.4431 -7.4431 2.7926 2.7926 2.8186 2.8186 2.9667 2.9667 5.6261 5.6261 6.0374 6.0374 11.3196 11.3196 11.9389 11.9389 k = 0.3082 0.5338 0.4762 ( 6944 PWs) bands (ev): -47.5928 -47.5928 -47.5679 -47.5679 -41.2675 -41.2675 -20.0545 -20.0545 -19.6915 -19.6915 -19.5849 -19.5849 -19.5314 -19.5314 -19.4765 -19.4765 -19.0778 -19.0778 -7.4444 -7.4444 2.7685 2.7685 2.8096 2.8096 2.9967 2.9967 5.5762 5.5762 6.1176 6.1176 11.3057 11.3057 11.8809 11.8809 k = 0.3019 0.5229 0.4762 ( 6942 PWs) bands (ev): -47.5960 -47.5960 -47.5647 -47.5647 -41.2675 -41.2675 -20.0530 -20.0530 -19.6947 -19.6947 -19.5865 -19.5865 -19.5345 -19.5345 -19.4688 -19.4688 -19.0787 -19.0787 -7.4461 -7.4461 2.7462 2.7462 2.7979 2.7979 3.0267 3.0267 5.5327 5.5327 6.2005 6.2005 11.2888 11.2888 11.8125 11.8125 k = 0.2956 0.5120 0.4762 ( 6942 PWs) bands (ev): -47.5993 -47.5993 -47.5614 -47.5614 -41.2675 -41.2675 -20.0512 -20.0512 -19.6984 -19.6984 -19.5888 -19.5888 -19.5367 -19.5367 -19.4611 -19.4611 -19.0798 -19.0798 -7.4482 -7.4482 2.7257 2.7257 2.7833 2.7833 3.0563 3.0563 5.4957 5.4957 6.2861 6.2861 11.2694 11.2694 11.7360 11.7360 k = 0.2893 0.5011 0.4762 ( 6938 PWs) bands (ev): -47.6026 -47.6026 -47.5580 -47.5580 -41.2675 -41.2675 -20.0491 -20.0491 -19.7026 -19.7026 -19.5918 -19.5918 -19.5377 -19.5377 -19.4532 -19.4532 -19.0811 -19.0811 -7.4508 -7.4508 2.7073 2.7073 2.7656 2.7656 3.0857 3.0857 5.4651 5.4651 6.3742 6.3742 11.2479 11.2479 11.6531 11.6531 k = 0.2830 0.4902 0.4762 ( 6932 PWs) bands (ev): -47.6060 -47.6060 -47.5547 -47.5547 -41.2675 -41.2675 -20.0467 -20.0467 -19.7072 -19.7072 -19.5953 -19.5953 -19.5379 -19.5379 -19.4452 -19.4452 -19.0826 -19.0826 -7.4539 -7.4539 2.6911 2.6911 2.7449 2.7449 3.1146 3.1146 5.4411 5.4411 6.4650 6.4650 11.2247 11.2247 11.5655 11.5655 k = 0.2767 0.4793 0.4762 ( 6932 PWs) bands (ev): -47.6093 -47.6093 -47.5513 -47.5513 -41.2675 -41.2675 -20.0441 -20.0441 -19.7122 -19.7122 -19.5993 -19.5993 -19.5373 -19.5373 -19.4373 -19.4373 -19.0843 -19.0843 -7.4575 -7.4575 2.6770 2.6770 2.7213 2.7213 3.1431 3.1431 5.4234 5.4234 6.5583 6.5583 11.2000 11.2000 11.4742 11.4742 k = 0.2704 0.4684 0.4762 ( 6920 PWs) bands (ev): -47.6127 -47.6127 -47.5479 -47.5479 -41.2675 -41.2675 -20.0412 -20.0412 -19.7175 -19.7175 -19.6035 -19.6035 -19.5360 -19.5360 -19.4294 -19.4294 -19.0862 -19.0862 -7.4616 -7.4616 2.6652 2.6652 2.6949 2.6949 3.1710 3.1710 5.4120 5.4120 6.6543 6.6543 11.1743 11.1743 11.3801 11.3801 k = 0.2642 0.4575 0.4762 ( 6916 PWs) bands (ev): -47.6162 -47.6162 -47.5444 -47.5444 -41.2675 -41.2675 -20.0381 -20.0381 -19.7230 -19.7230 -19.6079 -19.6079 -19.5343 -19.5343 -19.4215 -19.4215 -19.0882 -19.0882 -7.4662 -7.4662 2.6550 2.6550 2.6666 2.6666 3.1983 3.1983 5.4066 5.4066 6.7529 6.7529 11.1479 11.1479 11.2839 11.2839 k = 0.2579 0.4466 0.4762 ( 6926 PWs) bands (ev): -47.6196 -47.6196 -47.5410 -47.5410 -41.2675 -41.2675 -20.0348 -20.0348 -19.7288 -19.7288 -19.6124 -19.6124 -19.5323 -19.5323 -19.4136 -19.4136 -19.0904 -19.0904 -7.4713 -7.4713 2.6325 2.6325 2.6504 2.6504 3.2249 3.2249 5.4070 5.4070 6.8540 6.8540 11.1210 11.1210 11.1862 11.1862 k = 0.2516 0.4357 0.4762 ( 6926 PWs) bands (ev): -47.6230 -47.6230 -47.5375 -47.5375 -41.2675 -41.2675 -20.0312 -20.0312 -19.7347 -19.7347 -19.6169 -19.6169 -19.5300 -19.5300 -19.4058 -19.4058 -19.0928 -19.0928 -7.4769 -7.4769 2.5989 2.5989 2.6455 2.6455 3.2507 3.2507 5.4128 5.4128 6.9577 6.9577 11.0865 11.0865 11.0947 11.0947 k = 0.2453 0.4248 0.4762 ( 6922 PWs) bands (ev): -47.6265 -47.6265 -47.5341 -47.5341 -41.2675 -41.2675 -20.0275 -20.0275 -19.7407 -19.7407 -19.6215 -19.6215 -19.5274 -19.5274 -19.3982 -19.3982 -19.0953 -19.0953 -7.4830 -7.4830 2.5628 2.5628 2.6435 2.6435 3.2757 3.2757 5.4239 5.4239 7.0640 7.0640 10.9873 10.9873 11.0672 11.0672 k = 0.2390 0.4139 0.4762 ( 6918 PWs) bands (ev): -47.6299 -47.6299 -47.5306 -47.5306 -41.2675 -41.2675 -20.0236 -20.0236 -19.7467 -19.7467 -19.6259 -19.6259 -19.5247 -19.5247 -19.3906 -19.3906 -19.0979 -19.0979 -7.4896 -7.4896 2.5249 2.5249 2.6441 2.6441 3.2998 3.2998 5.4399 5.4399 7.1728 7.1728 10.8870 10.8870 11.0407 11.0407 k = 0.2327 0.4031 0.4762 ( 6922 PWs) bands (ev): -47.6333 -47.6333 -47.5272 -47.5272 -41.2675 -41.2675 -20.0196 -20.0196 -19.7527 -19.7527 -19.6304 -19.6304 -19.5219 -19.5219 -19.3831 -19.3831 -19.1007 -19.1007 -7.4968 -7.4968 2.4855 2.4855 2.6472 2.6472 3.3231 3.3231 5.4603 5.4603 7.2840 7.2840 10.7862 10.7862 11.0149 11.0149 k = 0.2264 0.3922 0.4762 ( 6942 PWs) bands (ev): -47.6367 -47.6367 -47.5238 -47.5238 -41.2675 -41.2675 -20.0155 -20.0155 -19.7587 -19.7587 -19.6347 -19.6347 -19.5190 -19.5190 -19.3757 -19.3757 -19.1035 -19.1035 -7.5044 -7.5044 2.4448 2.4448 2.6529 2.6529 3.3453 3.3453 5.4849 5.4849 7.3978 7.3978 10.6852 10.6852 10.9899 10.9899 k = 0.2201 0.3813 0.4762 ( 6942 PWs) bands (ev): -47.6401 -47.6401 -47.5203 -47.5203 -41.2676 -41.2676 -20.0113 -20.0113 -19.7646 -19.7646 -19.6390 -19.6390 -19.5160 -19.5160 -19.3685 -19.3685 -19.1065 -19.1065 -7.5125 -7.5125 2.4031 2.4031 2.6611 2.6611 3.3666 3.3666 5.5133 5.5133 7.5140 7.5140 10.5842 10.5842 10.9660 10.9660 k = 0.2138 0.3704 0.4762 ( 6942 PWs) bands (ev): -47.6435 -47.6435 -47.5170 -47.5170 -41.2676 -41.2676 -20.0070 -20.0070 -19.7704 -19.7704 -19.6432 -19.6432 -19.5130 -19.5130 -19.3614 -19.3614 -19.1095 -19.1095 -7.5210 -7.5210 2.3606 2.3606 2.6718 2.6718 3.3869 3.3869 5.5452 5.5452 7.6327 7.6327 10.4833 10.4833 10.9435 10.9435 k = 0.2075 0.3595 0.4762 ( 6942 PWs) bands (ev): -47.6468 -47.6468 -47.5136 -47.5136 -41.2676 -41.2676 -20.0027 -20.0027 -19.7760 -19.7760 -19.6474 -19.6474 -19.5100 -19.5100 -19.3545 -19.3545 -19.1126 -19.1126 -7.5300 -7.5300 2.3177 2.3177 2.6850 2.6850 3.4062 3.4062 5.5801 5.5801 7.7537 7.7537 10.3825 10.3825 10.9225 10.9225 k = 0.2013 0.3486 0.4762 ( 6938 PWs) bands (ev): -47.6501 -47.6501 -47.5103 -47.5103 -41.2676 -41.2676 -19.9984 -19.9984 -19.7815 -19.7815 -19.6514 -19.6514 -19.5069 -19.5069 -19.3477 -19.3477 -19.1157 -19.1157 -7.5393 -7.5393 2.2745 2.2745 2.7007 2.7007 3.4245 3.4245 5.6178 5.6178 7.8771 7.8771 10.2821 10.2821 10.9033 10.9033 k = 0.1950 0.3377 0.4762 ( 6942 PWs) bands (ev): -47.6534 -47.6534 -47.5070 -47.5070 -41.2676 -41.2676 -19.9941 -19.9941 -19.7867 -19.7867 -19.6554 -19.6554 -19.5039 -19.5039 -19.3411 -19.3411 -19.1189 -19.1189 -7.5491 -7.5491 2.2312 2.2312 2.7187 2.7187 3.4417 3.4417 5.6580 5.6580 8.0028 8.0028 10.1820 10.1820 10.8861 10.8861 k = 0.1887 0.3268 0.4762 ( 6942 PWs) bands (ev): -47.6566 -47.6566 -47.5038 -47.5038 -41.2676 -41.2676 -19.9898 -19.9898 -19.7917 -19.7917 -19.6593 -19.6593 -19.5008 -19.5008 -19.3347 -19.3347 -19.1221 -19.1221 -7.5592 -7.5592 2.1881 2.1881 2.7390 2.7390 3.4578 3.4578 5.7002 5.7002 8.1308 8.1308 10.0825 10.0825 10.8710 10.8710 k = 0.1824 0.3159 0.4762 ( 6942 PWs) bands (ev): -47.6597 -47.6597 -47.5006 -47.5006 -41.2676 -41.2676 -19.9856 -19.9856 -19.7965 -19.7965 -19.6631 -19.6631 -19.4978 -19.4978 -19.3284 -19.3284 -19.1253 -19.1253 -7.5696 -7.5696 2.1453 2.1453 2.7617 2.7617 3.4730 3.4730 5.7442 5.7442 8.2610 8.2610 9.9835 9.9835 10.8583 10.8583 k = 0.1761 0.3050 0.4762 ( 6942 PWs) bands (ev): -47.6628 -47.6628 -47.4975 -47.4975 -41.2676 -41.2676 -19.9815 -19.9815 -19.8009 -19.8009 -19.6669 -19.6669 -19.4948 -19.4948 -19.3224 -19.3224 -19.1285 -19.1285 -7.5802 -7.5802 2.1030 2.1030 2.7864 2.7864 3.4871 3.4871 5.7896 5.7896 8.3933 8.3933 9.8852 9.8852 10.8482 10.8482 k = 0.1698 0.2941 0.4762 ( 6938 PWs) bands (ev): -47.6659 -47.6659 -47.4944 -47.4944 -41.2677 -41.2677 -19.9776 -19.9776 -19.8051 -19.8051 -19.6705 -19.6705 -19.4919 -19.4919 -19.3166 -19.3166 -19.1317 -19.1317 -7.5911 -7.5911 2.0613 2.0613 2.8133 2.8133 3.5002 3.5002 5.8363 5.8363 8.5277 8.5277 9.7877 9.7877 10.8408 10.8408 k = 0.1635 0.2832 0.4762 ( 6938 PWs) bands (ev): -47.6688 -47.6688 -47.4914 -47.4914 -41.2677 -41.2677 -19.9738 -19.9738 -19.8089 -19.8089 -19.6741 -19.6741 -19.4890 -19.4890 -19.3110 -19.3110 -19.1348 -19.1348 -7.6022 -7.6022 2.0204 2.0204 2.8421 2.8421 3.5124 3.5124 5.8838 5.8838 8.6640 8.6640 9.6910 9.6910 10.8363 10.8363 k = 0.1572 0.2723 0.4762 ( 6938 PWs) bands (ev): -47.6717 -47.6717 -47.4884 -47.4884 -41.2677 -41.2677 -19.9702 -19.9702 -19.8124 -19.8124 -19.6776 -19.6776 -19.4861 -19.4861 -19.3056 -19.3056 -19.1378 -19.1378 -7.6134 -7.6134 1.9803 1.9803 2.8727 2.8727 3.5235 3.5235 5.9319 5.9319 8.8022 8.8022 9.5954 9.5954 10.8349 10.8349 k = 0.1509 0.2614 0.4762 ( 6922 PWs) bands (ev): -47.6746 -47.6746 -47.4856 -47.4856 -41.2677 -41.2677 -19.9668 -19.9668 -19.8155 -19.8155 -19.6810 -19.6810 -19.4834 -19.4834 -19.3006 -19.3006 -19.1406 -19.1406 -7.6247 -7.6247 1.9412 1.9412 2.9050 2.9050 3.5338 3.5338 5.9804 5.9804 8.9422 8.9422 9.5009 9.5009 10.8368 10.8368 k = 0.1447 0.2505 0.4762 ( 6926 PWs) bands (ev): -47.6773 -47.6773 -47.4828 -47.4828 -41.2677 -41.2677 -19.9637 -19.9637 -19.8182 -19.8182 -19.6843 -19.6843 -19.4807 -19.4807 -19.2958 -19.2958 -19.1434 -19.1434 -7.6360 -7.6360 1.9032 1.9032 2.9389 2.9389 3.5432 3.5432 6.0289 6.0289 9.0838 9.0838 9.4076 9.4076 10.8420 10.8420 k = 0.1384 0.2397 0.4762 ( 6922 PWs) bands (ev): -47.6800 -47.6800 -47.4801 -47.4801 -41.2677 -41.2677 -19.9608 -19.9608 -19.8206 -19.8206 -19.6876 -19.6876 -19.4780 -19.4780 -19.2912 -19.2912 -19.1460 -19.1460 -7.6473 -7.6473 1.8664 1.8664 2.9742 2.9742 3.5518 3.5518 6.0772 6.0772 9.2268 9.2268 9.3157 9.3157 10.8508 10.8508 k = 0.1321 0.2288 0.4762 ( 6934 PWs) bands (ev): -47.6826 -47.6826 -47.4775 -47.4775 -41.2677 -41.2677 -19.9582 -19.9582 -19.8226 -19.8226 -19.6907 -19.6907 -19.4755 -19.4755 -19.2870 -19.2870 -19.1484 -19.1484 -7.6586 -7.6586 1.8308 1.8308 3.0106 3.0106 3.5595 3.5595 6.1251 6.1251 9.2253 9.2253 9.3711 9.3711 10.8632 10.8632 k = 0.1258 0.2179 0.4762 ( 6932 PWs) bands (ev): -47.6850 -47.6850 -47.4750 -47.4750 -41.2678 -41.2678 -19.9558 -19.9558 -19.8242 -19.8242 -19.6937 -19.6937 -19.4730 -19.4730 -19.2831 -19.2831 -19.1506 -19.1506 -7.6698 -7.6698 1.7965 1.7965 3.0481 3.0481 3.5665 3.5665 6.1722 6.1722 9.1367 9.1367 9.5164 9.5164 10.8793 10.8793 k = 0.1195 0.2070 0.4762 ( 6936 PWs) bands (ev): -47.6874 -47.6874 -47.4726 -47.4726 -41.2678 -41.2678 -19.9538 -19.9538 -19.8254 -19.8254 -19.6967 -19.6967 -19.4706 -19.4706 -19.2796 -19.2796 -19.1526 -19.1526 -7.6808 -7.6808 1.7636 1.7636 3.0865 3.0865 3.5728 3.5728 6.2184 6.2184 9.0499 9.0499 9.6625 9.6625 10.8993 10.8993 k = 0.1132 0.1961 0.4762 ( 6936 PWs) bands (ev): -47.6897 -47.6897 -47.4703 -47.4703 -41.2678 -41.2678 -19.9520 -19.9520 -19.8262 -19.8262 -19.6995 -19.6995 -19.4683 -19.4683 -19.2764 -19.2764 -19.1544 -19.1544 -7.6916 -7.6916 1.7322 1.7322 3.1254 3.1254 3.5784 3.5784 6.2634 6.2634 8.9652 8.9652 9.8090 9.8090 10.9231 10.9231 k = 0.1069 0.1852 0.4762 ( 6944 PWs) bands (ev): -47.6919 -47.6919 -47.4681 -47.4681 -41.2678 -41.2678 -19.9505 -19.9505 -19.8267 -19.8267 -19.7022 -19.7022 -19.4661 -19.4661 -19.2736 -19.2736 -19.1559 -19.1559 -7.7022 -7.7022 1.7022 1.7022 3.1646 3.1646 3.5833 3.5833 6.3070 6.3070 8.8827 8.8827 9.9556 9.9556 10.9509 10.9509 k = 0.1006 0.1743 0.4762 ( 6936 PWs) bands (ev): -47.6940 -47.6940 -47.4659 -47.4659 -41.2678 -41.2678 -19.9493 -19.9493 -19.8269 -19.8269 -19.7049 -19.7049 -19.4640 -19.4640 -19.2711 -19.2711 -19.1571 -19.1571 -7.7125 -7.7125 1.6737 1.6737 3.2040 3.2040 3.5877 3.5877 6.3491 6.3491 8.8028 8.8028 10.1018 10.1018 10.9824 10.9824 k = 0.0943 0.1634 0.4762 ( 6932 PWs) bands (ev): -47.6960 -47.6960 -47.4640 -47.4640 -41.2678 -41.2678 -19.9484 -19.9484 -19.8268 -19.8268 -19.7074 -19.7074 -19.4621 -19.4621 -19.2690 -19.2690 -19.1581 -19.1581 -7.7224 -7.7224 1.6468 1.6468 3.2433 3.2433 3.5916 3.5916 6.3894 6.3894 8.7256 8.7256 10.2471 10.2471 11.0177 11.0177 k = 0.0881 0.1525 0.4762 ( 6932 PWs) bands (ev): -47.6978 -47.6978 -47.4621 -47.4621 -41.2678 -41.2678 -19.9476 -19.9476 -19.8265 -19.8265 -19.7097 -19.7097 -19.4602 -19.4602 -19.2672 -19.2672 -19.1589 -19.1589 -7.7319 -7.7319 1.6215 1.6215 3.2821 3.2821 3.5950 3.5950 6.4277 6.4277 8.6514 8.6514 10.3908 10.3908 11.0567 11.0567 k = 0.0818 0.1416 0.4762 ( 6928 PWs) bands (ev): -47.6996 -47.6996 -47.4603 -47.4603 -41.2678 -41.2678 -19.9470 -19.9470 -19.8260 -19.8260 -19.7120 -19.7120 -19.4584 -19.4584 -19.2657 -19.2657 -19.1594 -19.1594 -7.7410 -7.7410 1.5978 1.5978 3.3201 3.3201 3.5979 3.5979 6.4640 6.4640 8.5805 8.5805 10.5322 10.5322 11.0990 11.0990 k = 0.0755 0.1307 0.4762 ( 6936 PWs) bands (ev): -47.7012 -47.7012 -47.4587 -47.4587 -41.2679 -41.2679 -19.9466 -19.9466 -19.8253 -19.8253 -19.7141 -19.7141 -19.4568 -19.4568 -19.2646 -19.2646 -19.1596 -19.1596 -7.7496 -7.7496 1.5758 1.5758 3.3572 3.3572 3.6005 3.6005 6.4980 6.4980 8.5131 8.5131 10.6703 10.6703 11.1444 11.1444 k = 0.0692 0.1198 0.4762 ( 6936 PWs) bands (ev): -47.7027 -47.7027 -47.4571 -47.4571 -41.2679 -41.2679 -19.9464 -19.9464 -19.8245 -19.8245 -19.7161 -19.7161 -19.4553 -19.4553 -19.2637 -19.2637 -19.1597 -19.1597 -7.7577 -7.7577 1.5555 1.5555 3.3929 3.3929 3.6026 3.6026 6.5296 6.5296 8.4496 8.4496 10.8041 10.8041 11.1926 11.1926 k = 0.0629 0.1089 0.4762 ( 6936 PWs) bands (ev): -47.7041 -47.7041 -47.4557 -47.4557 -41.2679 -41.2679 -19.9462 -19.9462 -19.8237 -19.8237 -19.7180 -19.7180 -19.4539 -19.4539 -19.2631 -19.2631 -19.1596 -19.1596 -7.7652 -7.7652 1.5368 1.5368 3.4269 3.4269 3.6045 3.6045 6.5588 6.5588 8.3902 8.3902 10.9323 10.9323 11.2429 11.2429 k = 0.0566 0.0980 0.4762 ( 6950 PWs) bands (ev): -47.7053 -47.7053 -47.4545 -47.4545 -41.2679 -41.2679 -19.9462 -19.9462 -19.8227 -19.8227 -19.7197 -19.7197 -19.4526 -19.4526 -19.2626 -19.2626 -19.1594 -19.1594 -7.7721 -7.7721 1.5199 1.5199 3.4589 3.4589 3.6061 3.6061 6.5854 6.5854 8.3353 8.3353 11.0538 11.0538 11.2948 11.2948 k = 0.0503 0.0871 0.4762 ( 6946 PWs) bands (ev): -47.7065 -47.7065 -47.4533 -47.4533 -41.2679 -41.2679 -19.9462 -19.9462 -19.8218 -19.8218 -19.7213 -19.7213 -19.4515 -19.4515 -19.2624 -19.2624 -19.1592 -19.1592 -7.7783 -7.7783 1.5048 1.5048 3.4887 3.4887 3.6075 3.6075 6.6094 6.6094 8.2851 8.2851 11.1668 11.1668 11.3473 11.3473 k = 0.0440 0.0763 0.4762 ( 6944 PWs) bands (ev): -47.7075 -47.7075 -47.4523 -47.4523 -41.2679 -41.2679 -19.9462 -19.9462 -19.8209 -19.8209 -19.7227 -19.7227 -19.4505 -19.4505 -19.2622 -19.2622 -19.1588 -19.1588 -7.7840 -7.7840 1.4913 1.4913 3.5157 3.5157 3.6086 3.6086 6.6307 6.6307 8.2399 8.2399 11.2701 11.2701 11.3995 11.3995 k = 0.0377 0.0654 0.4762 ( 6936 PWs) bands (ev): -47.7083 -47.7083 -47.4514 -47.4514 -41.2679 -41.2679 -19.9463 -19.9463 -19.8201 -19.8201 -19.7239 -19.7239 -19.4496 -19.4496 -19.2621 -19.2621 -19.1584 -19.1584 -7.7889 -7.7889 1.4797 1.4797 3.5398 3.5398 3.6096 3.6096 6.6492 6.6492 8.2001 8.2001 11.3621 11.3621 11.4500 11.4500 k = 0.0314 0.0545 0.4762 ( 6940 PWs) bands (ev): -47.7091 -47.7091 -47.4507 -47.4507 -41.2679 -41.2679 -19.9464 -19.9464 -19.8193 -19.8193 -19.7250 -19.7250 -19.4488 -19.4488 -19.2621 -19.2621 -19.1581 -19.1581 -7.7931 -7.7931 1.4698 1.4698 3.5606 3.5606 3.6106 3.6106 6.6649 6.6649 8.1659 8.1659 11.4416 11.4416 11.4975 11.4975 k = 0.0252 0.0436 0.4762 ( 6936 PWs) bands (ev): -47.7097 -47.7097 -47.4500 -47.4500 -41.2679 -41.2679 -19.9465 -19.9465 -19.8187 -19.8187 -19.7259 -19.7259 -19.4482 -19.4482 -19.2622 -19.2622 -19.1577 -19.1577 -7.7965 -7.7965 1.4617 1.4617 3.5778 3.5778 3.6115 3.6115 6.6778 6.6778 8.1375 8.1375 11.5076 11.5076 11.5401 11.5401 k = 0.0189 0.0327 0.4762 ( 6932 PWs) bands (ev): -47.7101 -47.7101 -47.4496 -47.4496 -41.2679 -41.2679 -19.9465 -19.9465 -19.8182 -19.8182 -19.7265 -19.7265 -19.4477 -19.4477 -19.2622 -19.2622 -19.1575 -19.1575 -7.7992 -7.7992 1.4554 1.4554 3.5909 3.5909 3.6128 3.6128 6.6879 6.6879 8.1152 8.1152 11.5594 11.5594 11.5760 11.5760 k = 0.0126 0.0218 0.4762 ( 6932 PWs) bands (ev): -47.7105 -47.7105 -47.4492 -47.4492 -41.2679 -41.2679 -19.9466 -19.9466 -19.8178 -19.8178 -19.7270 -19.7270 -19.4474 -19.4474 -19.2623 -19.2623 -19.1572 -19.1572 -7.8012 -7.8012 1.4509 1.4509 3.5995 3.5995 3.6145 3.6145 6.6951 6.6951 8.0992 8.0992 11.5965 11.5965 11.6033 11.6033 k = 0.0063 0.0109 0.4762 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7273 -19.7273 -19.4472 -19.4472 -19.2623 -19.2623 -19.1571 -19.1571 -7.8024 -7.8024 1.4482 1.4482 3.6037 3.6037 3.6166 3.6166 6.6994 6.6994 8.0895 8.0895 11.6189 11.6189 11.6205 11.6205 k = 0.0000 0.0000 0.4762 ( 6938 PWs) bands (ev): -47.7107 -47.7107 -47.4490 -47.4490 -41.2679 -41.2679 -19.9466 -19.9466 -19.8175 -19.8175 -19.7274 -19.7274 -19.4471 -19.4471 -19.2623 -19.2623 -19.1571 -19.1571 -7.8028 -7.8028 1.4473 1.4473 3.6048 3.6048 3.6176 3.6176 6.7008 6.7008 8.0863 8.0863 11.6262 11.6262 11.6265 11.6265 k = 0.5000 0.2887 0.4762 ( 6964 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6104 -19.6104 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4734 -7.4734 2.3936 2.3936 2.6557 2.6557 3.5667 3.5667 4.8710 4.8710 8.6328 8.6328 9.4297 9.4297 10.8013 10.8013 k = 0.5000 0.2887 0.4637 ( 6948 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6104 -19.6104 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4733 -7.4733 2.3913 2.3913 2.6559 2.6559 3.5662 3.5662 4.8747 4.8747 8.6264 8.6264 9.4320 9.4320 10.8091 10.8091 k = 0.5000 0.2887 0.4511 ( 6948 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6103 -19.6103 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4730 -7.4730 2.3845 2.3845 2.6566 2.6566 3.5647 3.5647 4.8860 4.8860 8.6077 8.6077 9.4386 9.4386 10.8320 10.8320 k = 0.5000 0.2887 0.4386 ( 6944 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6103 -19.6103 -19.5488 -19.5488 -19.3401 -19.3401 -19.1139 -19.1139 -7.4726 -7.4726 2.3733 2.3733 2.6578 2.6578 3.5623 3.5623 4.9045 4.9045 8.5773 8.5773 9.4497 9.4497 10.8693 10.8693 k = 0.5000 0.2887 0.4261 ( 6938 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6102 -19.6102 -19.5487 -19.5487 -19.3401 -19.3401 -19.1139 -19.1139 -7.4720 -7.4720 2.3580 2.3580 2.6593 2.6593 3.5589 3.5589 4.9300 4.9300 8.5366 8.5366 9.4651 9.4651 10.9197 10.9197 k = 0.5000 0.2887 0.4135 ( 6944 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6101 -19.6101 -19.5486 -19.5486 -19.3401 -19.3401 -19.1139 -19.1139 -7.4712 -7.4712 2.3389 2.3389 2.6614 2.6614 3.5546 3.5546 4.9622 4.9622 8.4868 8.4868 9.4849 9.4849 10.9820 10.9820 k = 0.5000 0.2887 0.4010 ( 6942 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9849 -19.9849 -19.8138 -19.8138 -19.6100 -19.6100 -19.5486 -19.5486 -19.3401 -19.3401 -19.1139 -19.1139 -7.4703 -7.4703 2.3164 2.3164 2.6638 2.6638 3.5494 3.5494 5.0007 5.0007 8.4295 8.4295 9.5089 9.5089 11.0546 11.0546 k = 0.5000 0.2887 0.3885 ( 6946 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9850 -19.9850 -19.8137 -19.8137 -19.6099 -19.6099 -19.5485 -19.5485 -19.3401 -19.3401 -19.1139 -19.1139 -7.4692 -7.4692 2.2908 2.2908 2.6667 2.6667 3.5434 3.5434 5.0449 5.0449 8.3661 8.3661 9.5370 9.5370 11.1362 11.1362 k = 0.5000 0.2887 0.3759 ( 6944 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9850 -19.9850 -19.8137 -19.8137 -19.6097 -19.6097 -19.5483 -19.5483 -19.3401 -19.3401 -19.1139 -19.1139 -7.4680 -7.4680 2.2626 2.2626 2.6700 2.6700 3.5366 3.5366 5.0945 5.0945 8.2979 8.2979 9.5691 9.5691 11.2254 11.2254 k = 0.5000 0.2887 0.3634 ( 6944 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9850 -19.9850 -19.8137 -19.8137 -19.6095 -19.6095 -19.5482 -19.5482 -19.3401 -19.3401 -19.1139 -19.1139 -7.4667 -7.4667 2.2321 2.2321 2.6738 2.6738 3.5291 3.5291 5.1490 5.1490 8.2260 8.2260 9.6052 9.6052 11.3210 11.3210 k = 0.5000 0.2887 0.3509 ( 6936 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9850 -19.9850 -19.8137 -19.8137 -19.6093 -19.6093 -19.5481 -19.5481 -19.3401 -19.3401 -19.1139 -19.1139 -7.4652 -7.4652 2.2000 2.2000 2.6779 2.6779 3.5210 3.5210 5.2077 5.2077 8.1514 8.1514 9.6450 9.6450 11.4222 11.4222 k = 0.5000 0.2887 0.3383 ( 6932 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9851 -19.9851 -19.8137 -19.8137 -19.6091 -19.6091 -19.5479 -19.5479 -19.3401 -19.3401 -19.1139 -19.1139 -7.4636 -7.4636 2.1664 2.1664 2.6824 2.6824 3.5122 3.5122 5.2703 5.2703 8.0749 8.0749 9.6884 9.6884 11.5280 11.5280 k = 0.5000 0.2887 0.3258 ( 6932 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2675 -41.2675 -19.9851 -19.9851 -19.8137 -19.8137 -19.6089 -19.6089 -19.5478 -19.5478 -19.3401 -19.3401 -19.1139 -19.1139 -7.4619 -7.4619 2.1318 2.1318 2.6872 2.6872 3.5029 3.5029 5.3362 5.3362 7.9974 7.9974 9.7352 9.7352 11.6376 11.6376 k = 0.5000 0.2887 0.3133 ( 6938 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9851 -19.9851 -19.8137 -19.8137 -19.6087 -19.6087 -19.5476 -19.5476 -19.3401 -19.3401 -19.1139 -19.1139 -7.4600 -7.4600 2.0965 2.0965 2.6924 2.6924 3.4932 3.4932 5.4051 5.4051 7.9194 7.9194 9.7853 9.7853 11.7505 11.7505 k = 0.5000 0.2887 0.3008 ( 6954 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9851 -19.9851 -19.8137 -19.8137 -19.6084 -19.6084 -19.5474 -19.5474 -19.3401 -19.3401 -19.1139 -19.1139 -7.4581 -7.4581 2.0608 2.0608 2.6979 2.6979 3.4832 3.4832 5.4763 5.4763 7.8415 7.8415 9.8384 9.8384 11.8659 11.8659 k = 0.5000 0.2887 0.2882 ( 6950 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9852 -19.9852 -19.8137 -19.8137 -19.6082 -19.6082 -19.5472 -19.5472 -19.3401 -19.3401 -19.1139 -19.1139 -7.4562 -7.4562 2.0251 2.0251 2.7037 2.7037 3.4728 3.4728 5.5495 5.5495 7.7641 7.7641 9.8943 9.8943 11.9007 11.9007 k = 0.5000 0.2887 0.2757 ( 6942 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9852 -19.9852 -19.8137 -19.8137 -19.6079 -19.6079 -19.5471 -19.5471 -19.3401 -19.3401 -19.1139 -19.1139 -7.4542 -7.4542 1.9895 1.9895 2.7098 2.7098 3.4623 3.4623 5.6244 5.6244 7.6877 7.6877 9.9527 9.9527 11.8784 11.8784 k = 0.5000 0.2887 0.2632 ( 6946 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9852 -19.9852 -19.8137 -19.8137 -19.6077 -19.6077 -19.5469 -19.5469 -19.3401 -19.3401 -19.1139 -19.1139 -7.4521 -7.4521 1.9544 1.9544 2.7161 2.7161 3.4516 3.4516 5.7003 5.7003 7.6125 7.6125 10.0134 10.0134 11.8550 11.8550 k = 0.5000 0.2887 0.2506 ( 6934 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9853 -19.9853 -19.8137 -19.8137 -19.6074 -19.6074 -19.5467 -19.5467 -19.3401 -19.3401 -19.1139 -19.1139 -7.4500 -7.4500 1.9198 1.9198 2.7226 2.7226 3.4408 3.4408 5.7770 5.7770 7.5389 7.5389 10.0762 10.0762 11.8307 11.8307 k = 0.5000 0.2887 0.2381 ( 6914 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9853 -19.9853 -19.8136 -19.8136 -19.6071 -19.6071 -19.5465 -19.5465 -19.3401 -19.3401 -19.1139 -19.1139 -7.4479 -7.4479 1.8861 1.8861 2.7292 2.7292 3.4301 3.4301 5.8540 5.8540 7.4673 7.4673 10.1406 10.1406 11.8055 11.8055 k = 0.5000 0.2887 0.2256 ( 6922 PWs) bands (ev): -47.6239 -47.6239 -47.5367 -47.5367 -41.2676 -41.2676 -19.9854 -19.9854 -19.8136 -19.8136 -19.6069 -19.6069 -19.5463 -19.5463 -19.3401 -19.3401 -19.1139 -19.1139 -7.4458 -7.4458 1.8533 1.8533 2.7360 2.7360 3.4195 3.4195 5.9309 5.9309 7.3978 7.3978 10.2063 10.2063 11.7796 11.7796 k = 0.5000 0.2887 0.2130 ( 6918 PWs) bands (ev): -47.6239 -47.6239 -47.5368 -47.5368 -41.2676 -41.2676 -19.9854 -19.9854 -19.8136 -19.8136 -19.6066 -19.6066 -19.5461 -19.5461 -19.3401 -19.3401 -19.1139 -19.1139 -7.4437 -7.4437 1.8216 1.8216 2.7428 2.7428 3.4090 3.4090 6.0073 6.0073 7.3307 7.3307 10.2731 10.2731 11.7531 11.7531 k = 0.5000 0.2887 0.2005 ( 6920 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2676 -41.2676 -19.9854 -19.9854 -19.8136 -19.8136 -19.6063 -19.6063 -19.5459 -19.5459 -19.3401 -19.3401 -19.1139 -19.1139 -7.4416 -7.4416 1.7912 1.7912 2.7497 2.7497 3.3987 3.3987 6.0828 6.0828 7.2662 7.2662 10.3405 10.3405 11.7262 11.7262 k = 0.5000 0.2887 0.1880 ( 6936 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2676 -41.2676 -19.9855 -19.9855 -19.8136 -19.8136 -19.6061 -19.6061 -19.5457 -19.5457 -19.3401 -19.3401 -19.1139 -19.1139 -7.4395 -7.4395 1.7621 1.7621 2.7565 2.7565 3.3888 3.3888 6.1570 6.1570 7.2046 7.2046 10.4081 10.4081 11.6990 11.6990 k = 0.5000 0.2887 0.1754 ( 6942 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2676 -41.2676 -19.9855 -19.9855 -19.8136 -19.8136 -19.6058 -19.6058 -19.5455 -19.5455 -19.3401 -19.3401 -19.1139 -19.1139 -7.4376 -7.4376 1.7345 1.7345 2.7633 2.7633 3.3792 3.3792 6.2293 6.2293 7.1459 7.1459 10.4754 10.4754 11.6716 11.6716 k = 0.5000 0.2887 0.1629 ( 6942 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9855 -19.9855 -19.8136 -19.8136 -19.6056 -19.6056 -19.5453 -19.5453 -19.3401 -19.3401 -19.1139 -19.1139 -7.4357 -7.4357 1.7084 1.7084 2.7699 2.7699 3.3700 3.3700 6.2995 6.2995 7.0905 7.0905 10.5419 10.5419 11.6445 11.6445 k = 0.5000 0.2887 0.1504 ( 6946 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9856 -19.9856 -19.8136 -19.8136 -19.6053 -19.6053 -19.5452 -19.5452 -19.3401 -19.3401 -19.1139 -19.1139 -7.4338 -7.4338 1.6840 1.6840 2.7764 2.7764 3.3612 3.3612 6.3669 6.3669 7.0385 7.0385 10.6072 10.6072 11.6176 11.6176 k = 0.5000 0.2887 0.1378 ( 6942 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9856 -19.9856 -19.8136 -19.8136 -19.6051 -19.6051 -19.5450 -19.5450 -19.3401 -19.3401 -19.1139 -19.1139 -7.4321 -7.4321 1.6613 1.6613 2.7826 2.7826 3.3530 3.3530 6.4313 6.4313 6.9899 6.9899 10.6706 10.6706 11.5914 11.5914 k = 0.5000 0.2887 0.1253 ( 6938 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9856 -19.9856 -19.8136 -19.8136 -19.6049 -19.6049 -19.5449 -19.5449 -19.3401 -19.3401 -19.1139 -19.1139 -7.4305 -7.4305 1.6404 1.6404 2.7885 2.7885 3.3454 3.3454 6.4921 6.4921 6.9451 6.9451 10.7317 10.7317 11.5661 11.5661 k = 0.5000 0.2887 0.1128 ( 6942 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9856 -19.9856 -19.8136 -19.8136 -19.6047 -19.6047 -19.5447 -19.5447 -19.3401 -19.3401 -19.1139 -19.1139 -7.4290 -7.4290 1.6213 1.6213 2.7940 2.7940 3.3383 3.3383 6.5489 6.5489 6.9041 6.9041 10.7896 10.7896 11.5419 11.5419 k = 0.5000 0.2887 0.1003 ( 6944 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8136 -19.8136 -19.6045 -19.6045 -19.5446 -19.5446 -19.3401 -19.3401 -19.1139 -19.1139 -7.4276 -7.4276 1.6041 1.6041 2.7991 2.7991 3.3319 3.3319 6.6012 6.6012 6.8670 6.8670 10.8440 10.8440 11.5192 11.5192 k = 0.5000 0.2887 0.0877 ( 6954 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6044 -19.6044 -19.5445 -19.5445 -19.3401 -19.3401 -19.1139 -19.1139 -7.4264 -7.4264 1.5888 1.5888 2.8038 2.8038 3.3261 3.3261 6.6485 6.6485 6.8340 6.8340 10.8939 10.8939 11.4982 11.4982 k = 0.5000 0.2887 0.0752 ( 6946 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6042 -19.6042 -19.5444 -19.5444 -19.3401 -19.3401 -19.1139 -19.1139 -7.4253 -7.4253 1.5755 1.5755 2.8080 2.8080 3.3211 3.3211 6.6906 6.6906 6.8052 6.8052 10.9389 10.9389 11.4793 11.4793 k = 0.5000 0.2887 0.0627 ( 6950 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6041 -19.6041 -19.5443 -19.5443 -19.3401 -19.3401 -19.1139 -19.1139 -7.4243 -7.4243 1.5642 1.5642 2.8116 2.8116 3.3168 3.3168 6.7269 6.7269 6.7806 6.7806 10.9783 10.9783 11.4628 11.4628 k = 0.5000 0.2887 0.0501 ( 6946 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6040 -19.6040 -19.5442 -19.5442 -19.3401 -19.3401 -19.1139 -19.1139 -7.4236 -7.4236 1.5549 1.5549 2.8146 2.8146 3.3132 3.3132 6.7571 6.7571 6.7604 6.7604 11.0114 11.0114 11.4488 11.4488 k = 0.5000 0.2887 0.0376 ( 6944 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6039 -19.6039 -19.5442 -19.5442 -19.3401 -19.3401 -19.1139 -19.1139 -7.4229 -7.4229 1.5477 1.5477 2.8169 2.8169 3.3105 3.3105 6.7447 6.7447 6.7810 6.7810 11.0378 11.0378 11.4377 11.4377 k = 0.5000 0.2887 0.0251 ( 6954 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9857 -19.9857 -19.8135 -19.8135 -19.6039 -19.6039 -19.5441 -19.5441 -19.3401 -19.3401 -19.1139 -19.1139 -7.4225 -7.4225 1.5425 1.5425 2.8187 2.8187 3.3085 3.3085 6.7333 6.7333 6.7982 6.7982 11.0570 11.0570 11.4297 11.4297 k = 0.5000 0.2887 0.0125 ( 6958 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9858 -19.9858 -19.8135 -19.8135 -19.6039 -19.6039 -19.5441 -19.5441 -19.3401 -19.3401 -19.1139 -19.1139 -7.4222 -7.4222 1.5394 1.5394 2.8197 2.8197 3.3073 3.3073 6.7265 6.7265 6.8086 6.8086 11.0686 11.0686 11.4248 11.4248 k = 0.5000 0.2887-0.0000 ( 6978 PWs) bands (ev): -47.6240 -47.6240 -47.5368 -47.5368 -41.2677 -41.2677 -19.9858 -19.9858 -19.8135 -19.8135 -19.6038 -19.6038 -19.5441 -19.5441 -19.3401 -19.3401 -19.1139 -19.1139 -7.4222 -7.4222 1.5383 1.5383 2.8200 2.8200 3.3069 3.3069 6.7243 6.7243 6.8121 6.8121 11.0725 11.0725 11.4231 11.4231 k = 0.3333 0.5774-0.0000 ( 6924 PWs) bands (ev): -47.5805 -47.5805 -47.5805 -47.5805 -41.2677 -41.2677 -20.0577 -20.0577 -19.6836 -19.6836 -19.5768 -19.5768 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3866 -7.3866 2.2075 2.2075 2.2092 2.2092 2.8560 2.8560 7.2673 7.2673 7.2723 7.2723 9.4301 9.4301 12.2185 12.2185 k = 0.3333 0.5774 0.0125 ( 6924 PWs) bands (ev): -47.5805 -47.5805 -47.5805 -47.5805 -41.2677 -41.2677 -20.0577 -20.0577 -19.6836 -19.6836 -19.5768 -19.5768 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3867 -7.3867 2.2084 2.2084 2.2100 2.2100 2.8560 2.8560 7.2649 7.2649 7.2699 7.2699 9.4322 9.4322 12.2169 12.2169 k = 0.3333 0.5774 0.0251 ( 6924 PWs) bands (ev): -47.5805 -47.5805 -47.5804 -47.5804 -41.2677 -41.2677 -20.0577 -20.0577 -19.6836 -19.6836 -19.5768 -19.5768 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3870 -7.3870 2.2110 2.2110 2.2127 2.2127 2.8558 2.8558 7.2578 7.2578 7.2628 7.2628 9.4384 9.4384 12.2123 12.2123 k = 0.3333 0.5774 0.0376 ( 6921 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0577 -20.0577 -19.6836 -19.6836 -19.5769 -19.5769 -19.5123 -19.5123 -19.5000 -19.5000 -19.0761 -19.0761 -7.3875 -7.3875 2.2154 2.2154 2.2170 2.2170 2.8556 2.8556 7.2460 7.2460 7.2510 7.2510 9.4488 9.4488 12.2048 12.2048 k = 0.3333 0.5774 0.0501 ( 6939 PWs) bands (ev): -47.5805 -47.5805 -47.5804 -47.5804 -41.2677 -41.2677 -20.0577 -20.0577 -19.6837 -19.6837 -19.5770 -19.5770 -19.5124 -19.5124 -19.5000 -19.5000 -19.0761 -19.0761 -7.3881 -7.3881 2.2214 2.2214 2.2231 2.2231 2.8552 2.8552 7.2296 7.2296 7.2345 7.2345 9.4633 9.4633 12.1946 12.1947 k = 0.3333 0.5774 0.0627 ( 6951 PWs) bands (ev): -47.5805 -47.5805 -47.5804 -47.5804 -41.2677 -41.2677 -20.0577 -20.0577 -19.6837 -19.6837 -19.5771 -19.5771 -19.5124 -19.5124 -19.5000 -19.5000 -19.0761 -19.0761 -7.3889 -7.3889 2.2292 2.2292 2.2310 2.2310 2.8548 2.8548 7.2087 7.2087 7.2136 7.2136 9.4819 9.4819 12.1825 12.1825 k = 0.3333 0.5774 0.0752 ( 6951 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2677 -41.2677 -20.0577 -20.0577 -19.6837 -19.6837 -19.5772 -19.5772 -19.5125 -19.5125 -19.5000 -19.5000 -19.0761 -19.0761 -7.3899 -7.3899 2.2387 2.2387 2.2405 2.2405 2.8543 2.8543 7.1835 7.1835 7.1882 7.1882 9.5046 9.5046 12.1685 12.1686 k = 0.3333 0.5774 0.0877 ( 6945 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6838 -19.6838 -19.5773 -19.5773 -19.5126 -19.5126 -19.5000 -19.5000 -19.0761 -19.0761 -7.3911 -7.3911 2.2499 2.2499 2.2516 2.2516 2.8537 2.8537 7.1541 7.1541 7.1587 7.1587 9.5312 9.5312 12.1534 12.1535 k = 0.3333 0.5774 0.1003 ( 6945 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6838 -19.6838 -19.5774 -19.5774 -19.5127 -19.5127 -19.4999 -19.4999 -19.0761 -19.0761 -7.3924 -7.3924 2.2626 2.2626 2.2644 2.2644 2.8530 2.8530 7.1206 7.1206 7.1251 7.1251 9.5619 9.5619 12.1373 12.1376 k = 0.3333 0.5774 0.1128 ( 6927 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6839 -19.6839 -19.5776 -19.5776 -19.5128 -19.5128 -19.4999 -19.4999 -19.0761 -19.0761 -7.3939 -7.3939 2.2770 2.2770 2.2788 2.2788 2.8522 2.8522 7.0834 7.0834 7.0878 7.0878 9.5965 9.5965 12.1208 12.1214 k = 0.3333 0.5774 0.1253 ( 6915 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6839 -19.6839 -19.5778 -19.5778 -19.5129 -19.5129 -19.4999 -19.4999 -19.0761 -19.0761 -7.3955 -7.3955 2.2929 2.2929 2.2947 2.2947 2.8514 2.8514 7.0427 7.0427 7.0469 7.0469 9.6349 9.6349 12.1049 12.1051 k = 0.3333 0.5774 0.1378 ( 6921 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6840 -19.6840 -19.5780 -19.5780 -19.5130 -19.5130 -19.4999 -19.4999 -19.0761 -19.0761 -7.3973 -7.3973 2.3102 2.3102 2.3121 2.3121 2.8505 2.8505 6.9987 6.9987 7.0027 7.0027 9.6771 9.6771 12.0888 12.0896 k = 0.3333 0.5774 0.1504 ( 6930 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0576 -20.0576 -19.6841 -19.6841 -19.5782 -19.5782 -19.5131 -19.5131 -19.4998 -19.4998 -19.0761 -19.0761 -7.3991 -7.3991 2.3290 2.3290 2.3310 2.3310 2.8496 2.8496 6.9517 6.9517 6.9555 6.9555 9.7230 9.7230 12.0739 12.0744 k = 0.3333 0.5774 0.1629 ( 6930 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0575 -20.0575 -19.6841 -19.6841 -19.5784 -19.5784 -19.5132 -19.5132 -19.4998 -19.4998 -19.0761 -19.0761 -7.4011 -7.4011 2.3491 2.3491 2.3512 2.3512 2.8486 2.8486 6.9019 6.9019 6.9057 6.9057 9.7724 9.7724 12.0603 12.0609 k = 0.3333 0.5774 0.1754 ( 6918 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0575 -20.0575 -19.6842 -19.6842 -19.5786 -19.5786 -19.5134 -19.5134 -19.4998 -19.4998 -19.0761 -19.0761 -7.4031 -7.4031 2.3706 2.3706 2.3726 2.3726 2.8475 2.8475 6.8499 6.8499 6.8534 6.8534 9.8254 9.8254 12.0472 12.0482 k = 0.3333 0.5774 0.1880 ( 6930 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0575 -20.0575 -19.6843 -19.6843 -19.5789 -19.5789 -19.5135 -19.5135 -19.4998 -19.4998 -19.0761 -19.0761 -7.4053 -7.4053 2.3932 2.3932 2.3953 2.3953 2.8465 2.8465 6.7957 6.7957 6.7991 6.7991 9.8817 9.8817 12.0357 12.0367 k = 0.3333 0.5774 0.2005 ( 6933 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0575 -20.0575 -19.6844 -19.6844 -19.5791 -19.5791 -19.5136 -19.5136 -19.4997 -19.4997 -19.0761 -19.0761 -7.4074 -7.4074 2.4169 2.4169 2.4190 2.4190 2.8454 2.8454 6.7399 6.7399 6.7430 6.7430 9.9413 9.9413 12.0256 12.0260 k = 0.3333 0.5774 0.2130 ( 6927 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0575 -20.0575 -19.6844 -19.6844 -19.5794 -19.5794 -19.5138 -19.5138 -19.4997 -19.4997 -19.0761 -19.0761 -7.4097 -7.4097 2.4415 2.4415 2.4438 2.4438 2.8443 2.8443 6.6826 6.6826 6.6856 6.6856 10.0039 10.0039 12.0180 12.0184 k = 0.3333 0.5774 0.2256 ( 6930 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2676 -41.2676 -20.0574 -20.0574 -19.6845 -19.6845 -19.5796 -19.5796 -19.5139 -19.5139 -19.4997 -19.4997 -19.0761 -19.0761 -7.4119 -7.4119 2.4671 2.4671 2.4694 2.4694 2.8431 2.8431 6.6244 6.6244 6.6271 6.6271 10.0694 10.0694 12.0099 12.0115 k = 0.3333 0.5774 0.2381 ( 6924 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0574 -20.0574 -19.6846 -19.6846 -19.5799 -19.5799 -19.5141 -19.5141 -19.4996 -19.4996 -19.0761 -19.0761 -7.4142 -7.4142 2.4934 2.4934 2.4958 2.4958 2.8420 2.8420 6.5654 6.5654 6.5680 6.5680 10.1377 10.1377 12.0044 12.0050 k = 0.3333 0.5774 0.2506 ( 6930 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0574 -20.0574 -19.6847 -19.6847 -19.5801 -19.5801 -19.5142 -19.5142 -19.4996 -19.4996 -19.0761 -19.0761 -7.4165 -7.4165 2.5203 2.5203 2.5228 2.5228 2.8409 2.8409 6.5062 6.5062 6.5086 6.5086 10.2085 10.2085 12.0000 12.0001 k = 0.3333 0.5774 0.2632 ( 6915 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0574 -20.0574 -19.6848 -19.6848 -19.5804 -19.5804 -19.5144 -19.5144 -19.4996 -19.4996 -19.0761 -19.0761 -7.4187 -7.4187 2.5476 2.5476 2.5502 2.5502 2.8398 2.8398 6.4470 6.4470 6.4492 6.4492 10.2816 10.2816 11.9971 11.9972 k = 0.3333 0.5774 0.2757 ( 6915 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0574 -20.0574 -19.6849 -19.6849 -19.5806 -19.5806 -19.5145 -19.5145 -19.4996 -19.4996 -19.0761 -19.0761 -7.4209 -7.4209 2.5753 2.5753 2.5780 2.5780 2.8387 2.8387 6.3883 6.3883 6.3903 6.3903 10.3568 10.3568 11.9954 11.9980 k = 0.3333 0.5774 0.2882 ( 6921 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0573 -20.0573 -19.6849 -19.6849 -19.5809 -19.5809 -19.5147 -19.5147 -19.4995 -19.4995 -19.0761 -19.0761 -7.4231 -7.4231 2.6030 2.6030 2.6058 2.6058 2.8377 2.8377 6.3304 6.3304 6.3322 6.3322 10.4337 10.4337 11.9948 11.9949 k = 0.3333 0.5774 0.3008 ( 6927 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0573 -20.0573 -19.6850 -19.6850 -19.5811 -19.5811 -19.5148 -19.5148 -19.4995 -19.4995 -19.0761 -19.0761 -7.4252 -7.4252 2.6306 2.6306 2.6335 2.6335 2.8367 2.8367 6.2737 6.2737 6.2754 6.2754 10.5119 10.5119 11.9952 11.9953 k = 0.3333 0.5774 0.3133 ( 6933 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0573 -20.0573 -19.6851 -19.6851 -19.5813 -19.5813 -19.5149 -19.5149 -19.4995 -19.4995 -19.0761 -19.0761 -7.4272 -7.4272 2.6579 2.6579 2.6609 2.6609 2.8357 2.8357 6.2186 6.2186 6.2201 6.2201 10.5912 10.5912 11.9965 11.9991 k = 0.3333 0.5774 0.3258 ( 6924 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0573 -20.0573 -19.6852 -19.6852 -19.5816 -19.5816 -19.5151 -19.5151 -19.4994 -19.4994 -19.0761 -19.0761 -7.4292 -7.4292 2.6847 2.6847 2.6878 2.6878 2.8348 2.8348 6.1655 6.1655 6.1667 6.1667 10.6709 10.6709 11.9983 11.9983 k = 0.3333 0.5774 0.3383 ( 6906 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0573 -20.0573 -19.6852 -19.6852 -19.5818 -19.5818 -19.5152 -19.5152 -19.4994 -19.4994 -19.0761 -19.0761 -7.4310 -7.4310 2.7107 2.7107 2.7139 2.7139 2.8339 2.8339 6.1147 6.1147 6.1158 6.1158 10.7506 10.7506 12.0008 12.0010 k = 0.3333 0.5774 0.3509 ( 6906 PWs) bands (ev): -47.5804 -47.5804 -47.5804 -47.5804 -41.2675 -41.2675 -20.0572 -20.0572 -19.6853 -19.6853 -19.5820 -19.5820 -19.5153 -19.5153 -19.4994 -19.4994 -19.0761 -19.0761 -7.4327 -7.4327 2.7356 2.7356 2.7390 2.7390 2.8332 2.8332 6.0666 6.0666 6.0675 6.0675 10.8297 10.8297 12.0040 12.0065 k = 0.3333 0.5774 0.3634 ( 6906 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6854 -19.6854 -19.5821 -19.5821 -19.5154 -19.5154 -19.4994 -19.4994 -19.0761 -19.0761 -7.4343 -7.4343 2.7593 2.7593 2.7628 2.7628 2.8325 2.8325 6.0216 6.0216 6.0224 6.0224 10.9072 10.9072 12.0066 12.0066 k = 0.3333 0.5774 0.3759 ( 6930 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6854 -19.6854 -19.5823 -19.5823 -19.5155 -19.5155 -19.4993 -19.4993 -19.0761 -19.0761 -7.4358 -7.4358 2.7812 2.7812 2.7851 2.7851 2.8320 2.8320 5.9802 5.9802 5.9808 5.9808 10.9824 10.9824 12.0098 12.0101 k = 0.3333 0.5774 0.3885 ( 6936 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6855 -19.6855 -19.5824 -19.5824 -19.5156 -19.5156 -19.4993 -19.4993 -19.0761 -19.0761 -7.4371 -7.4371 2.8012 2.8012 2.8055 2.8055 2.8317 2.8317 5.9426 5.9426 5.9431 5.9431 11.0542 11.0542 12.0130 12.0132 k = 0.3333 0.5774 0.4010 ( 6954 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6855 -19.6855 -19.5826 -19.5826 -19.5157 -19.5157 -19.4993 -19.4993 -19.0761 -19.0761 -7.4382 -7.4382 2.8181 2.8181 2.8239 2.8239 2.8326 2.8326 5.9092 5.9092 5.9096 5.9096 11.1213 11.1213 12.0159 12.0159 k = 0.3333 0.5774 0.4135 ( 6954 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6855 -19.6855 -19.5827 -19.5827 -19.5157 -19.5157 -19.4993 -19.4993 -19.0761 -19.0761 -7.4392 -7.4392 2.8267 2.8267 2.8394 2.8394 2.8399 2.8399 5.8803 5.8803 5.8806 5.8806 11.1822 11.1822 12.0187 12.0187 k = 0.3333 0.5774 0.4261 ( 6954 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5828 -19.5828 -19.5158 -19.5158 -19.4993 -19.4993 -19.0761 -19.0761 -7.4400 -7.4400 2.8280 2.8280 2.8512 2.8512 2.8533 2.8533 5.8563 5.8563 5.8565 5.8565 11.2354 11.2354 12.0211 12.0211 k = 0.3333 0.5774 0.4386 ( 6948 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5158 -19.5158 -19.4993 -19.4993 -19.0761 -19.0761 -7.4407 -7.4407 2.8281 2.8281 2.8614 2.8614 2.8640 2.8640 5.8373 5.8373 5.8374 5.8374 11.2792 11.2792 12.0230 12.0230 k = 0.3333 0.5774 0.4511 ( 6939 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5158 -19.5158 -19.4993 -19.4993 -19.0761 -19.0761 -7.4411 -7.4411 2.8281 2.8281 2.8690 2.8690 2.8718 2.8718 5.8236 5.8236 5.8237 5.8237 11.3119 11.3119 12.0244 12.0280 k = 0.3333 0.5774 0.4637 ( 6939 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2674 -41.2674 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5159 -19.5159 -19.4993 -19.4993 -19.0761 -19.0761 -7.4414 -7.4414 2.8280 2.8280 2.8736 2.8736 2.8765 2.8765 5.8153 5.8153 5.8154 5.8154 11.3322 11.3322 12.0253 12.0253 k = 0.3333 0.5774 0.4762 ( 6948 PWs) bands (ev): -47.5803 -47.5803 -47.5803 -47.5803 -41.2675 -41.2675 -20.0572 -20.0572 -19.6856 -19.6856 -19.5829 -19.5829 -19.5159 -19.5159 -19.4993 -19.4993 -19.0761 -19.0761 -7.4415 -7.4415 2.8280 2.8280 2.8751 2.8751 2.8781 2.8781 5.8125 5.8125 5.8126 5.8126 11.3391 11.3391 12.0256 12.0256 Writing output data file Na2LiN.save init_run : 0.10s CPU 0.21s WALL ( 1 calls) electrons : 98.54s CPU 100.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 98.53s CPU 100.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 375 calls) cegterg : 87.72s CPU 88.81s WALL ( 417 calls) Called by sum_band: Called by *egterg: h_psi : 64.05s CPU 64.70s WALL ( 6370 calls) s_psi : 0.97s CPU 1.04s WALL ( 6370 calls) g_psi : 0.22s CPU 0.22s WALL ( 5578 calls) cdiaghg : 20.66s CPU 21.22s WALL ( 5953 calls) cegterg:over : 3.26s CPU 3.40s WALL ( 5578 calls) cegterg:upda : 3.12s CPU 3.31s WALL ( 5578 calls) cegterg:last : 2.26s CPU 2.18s WALL ( 1151 calls) cdiaghg:chol : 1.17s CPU 1.23s WALL ( 5953 calls) cdiaghg:inve : 0.51s CPU 0.54s WALL ( 5953 calls) cdiaghg:para : 1.32s CPU 1.29s WALL ( 11906 calls) Called by h_psi: h_psi:vloc : 60.90s CPU 61.60s WALL ( 6370 calls) h_psi:vnl : 2.94s CPU 2.90s WALL ( 6370 calls) add_vuspsi : 1.10s CPU 1.16s WALL ( 6370 calls) General routines calbec : 1.83s CPU 1.72s WALL ( 6370 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 58.01s CPU 58.54s WALL ( 456008 calls) davcio : 0.24s CPU 0.31s WALL ( 750 calls) Parallel routines fft_scatter : 17.33s CPU 17.56s WALL ( 456023 calls) PWSCF : 1m54.60s CPU 2m 6.87s WALL This run was terminated on: 20:38:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=