Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 5:17 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./Fe2Ge.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 20 6 410 276 48 Max 27 21 7 413 285 51 Sum 955 745 241 14825 10137 1775 bravais-lattice index = 14 lattice parameter (alat) = 7.6269 a.u. unit-cell volume = 239.4239 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.626934 celldm(2)= 1.000000 celldm(3)= 0.623142 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 0.623142 ) 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 1.604771 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Fe 8.00 55.84500 Fe( 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= 444 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0022523 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0022523 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0022523 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0022523 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0022523 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0022523 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0022523 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0022523 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0022523 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0022523 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0022523 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0022523 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0022523 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0022523 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0022523 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0022523 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0022523 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0022523 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0022523 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0022523 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0022523 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0022523 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0022523 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0022523 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0022523 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0022523 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0022523 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0022523 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0022523 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0022523 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0022523 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0022523 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0022523 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0022523 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0022523 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0022523 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0022523 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0022523 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0022523 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0022523 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0022523 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0022523 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0022523 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0022523 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0022523 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0022523 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0022523 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0022523 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0022523 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022523 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0022523 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0022523 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0022523 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0022523 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0022523 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0022523 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0022523 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0022523 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0022523 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0022523 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0022523 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0022523 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0022523 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0022523 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0022523 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0022523 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0022523 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0022523 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0022523 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0022523 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0022523 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0022523 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0022523 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0022523 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0022523 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0022523 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0022523 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0022523 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0022523 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0022523 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0022523 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0022523 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0022523 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0022523 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0022523 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0022523 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0022523 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0022523 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0022523 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0022523 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0022523 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0022523 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0022523 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0022523 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0022523 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0022523 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0022523 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0022523 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0022523 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0022523 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0022523 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0022523 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0022523 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0022523 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0022523 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0022523 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0022523 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0022523 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0022523 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0022523 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0022523 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0022523 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0022523 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 128) = ( 0.0000000 0.0000000 0.0127363), wk = 0.0022523 k( 129) = ( 0.0000000 0.0000000 0.0254726), wk = 0.0022523 k( 130) = ( 0.0000000 0.0000000 0.0382088), wk = 0.0022523 k( 131) = ( 0.0000000 0.0000000 0.0509451), wk = 0.0022523 k( 132) = ( 0.0000000 0.0000000 0.0636814), wk = 0.0022523 k( 133) = ( 0.0000000 0.0000000 0.0764177), wk = 0.0022523 k( 134) = ( 0.0000000 0.0000000 0.0891540), wk = 0.0022523 k( 135) = ( 0.0000000 0.0000000 0.1018902), wk = 0.0022523 k( 136) = ( 0.0000000 0.0000000 0.1146265), wk = 0.0022523 k( 137) = ( 0.0000000 0.0000000 0.1273628), wk = 0.0022523 k( 138) = ( 0.0000000 0.0000000 0.1400991), wk = 0.0022523 k( 139) = ( 0.0000000 0.0000000 0.1528354), wk = 0.0022523 k( 140) = ( 0.0000000 0.0000000 0.1655716), wk = 0.0022523 k( 141) = ( 0.0000000 0.0000000 0.1783079), wk = 0.0022523 k( 142) = ( 0.0000000 0.0000000 0.1910442), wk = 0.0022523 k( 143) = ( 0.0000000 0.0000000 0.2037805), wk = 0.0022523 k( 144) = ( 0.0000000 0.0000000 0.2165168), wk = 0.0022523 k( 145) = ( 0.0000000 0.0000000 0.2292530), wk = 0.0022523 k( 146) = ( 0.0000000 0.0000000 0.2419893), wk = 0.0022523 k( 147) = ( 0.0000000 0.0000000 0.2547256), wk = 0.0022523 k( 148) = ( 0.0000000 0.0000000 0.2674619), wk = 0.0022523 k( 149) = ( 0.0000000 0.0000000 0.2801982), wk = 0.0022523 k( 150) = ( 0.0000000 0.0000000 0.2929345), wk = 0.0022523 k( 151) = ( 0.0000000 0.0000000 0.3056707), wk = 0.0022523 k( 152) = ( 0.0000000 0.0000000 0.3184070), wk = 0.0022523 k( 153) = ( 0.0000000 0.0000000 0.3311433), wk = 0.0022523 k( 154) = ( 0.0000000 0.0000000 0.3438796), wk = 0.0022523 k( 155) = ( 0.0000000 0.0000000 0.3566159), wk = 0.0022523 k( 156) = ( 0.0000000 0.0000000 0.3693521), wk = 0.0022523 k( 157) = ( 0.0000000 0.0000000 0.3820884), wk = 0.0022523 k( 158) = ( 0.0000000 0.0000000 0.3948247), wk = 0.0022523 k( 159) = ( 0.0000000 0.0000000 0.4075610), wk = 0.0022523 k( 160) = ( 0.0000000 0.0000000 0.4202973), wk = 0.0022523 k( 161) = ( 0.0000000 0.0000000 0.4330335), wk = 0.0022523 k( 162) = ( 0.0000000 0.0000000 0.4457698), wk = 0.0022523 k( 163) = ( 0.0000000 0.0000000 0.4585061), wk = 0.0022523 k( 164) = ( 0.0000000 0.0000000 0.4712424), wk = 0.0022523 k( 165) = ( 0.0000000 0.0000000 0.4839787), wk = 0.0022523 k( 166) = ( 0.0000000 0.0000000 0.4967149), wk = 0.0022523 k( 167) = ( 0.0000000 0.0000000 0.5094512), wk = 0.0022523 k( 168) = ( 0.0000000 0.0000000 0.5221875), wk = 0.0022523 k( 169) = ( 0.0000000 0.0000000 0.5349238), wk = 0.0022523 k( 170) = ( 0.0000000 0.0000000 0.5476601), wk = 0.0022523 k( 171) = ( 0.0000000 0.0000000 0.5603964), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.5731326), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.5858689), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.5986052), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.6113415), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.6240778), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.6368140), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.6495503), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.6622866), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.6750229), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.6877592), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.7004954), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.7132317), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.7259680), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.7387043), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.7514406), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.7641768), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.7769131), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.7896494), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.8023857), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.8023857), wk = 0.0022523 k( 192) = ( 0.0111111 0.0064150 0.8023857), wk = 0.0022523 k( 193) = ( 0.0222222 0.0128300 0.8023857), wk = 0.0022523 k( 194) = ( 0.0333333 0.0192450 0.8023857), wk = 0.0022523 k( 195) = ( 0.0444444 0.0256600 0.8023857), wk = 0.0022523 k( 196) = ( 0.0555556 0.0320750 0.8023857), wk = 0.0022523 k( 197) = ( 0.0666667 0.0384900 0.8023857), wk = 0.0022523 k( 198) = ( 0.0777778 0.0449050 0.8023857), wk = 0.0022523 k( 199) = ( 0.0888889 0.0513200 0.8023857), wk = 0.0022523 k( 200) = ( 0.1000000 0.0577350 0.8023857), wk = 0.0022523 k( 201) = ( 0.1111111 0.0641500 0.8023857), wk = 0.0022523 k( 202) = ( 0.1222222 0.0705650 0.8023857), wk = 0.0022523 k( 203) = ( 0.1333333 0.0769800 0.8023857), wk = 0.0022523 k( 204) = ( 0.1444444 0.0833950 0.8023857), wk = 0.0022523 k( 205) = ( 0.1555556 0.0898100 0.8023857), wk = 0.0022523 k( 206) = ( 0.1666667 0.0962250 0.8023857), wk = 0.0022523 k( 207) = ( 0.1777778 0.1026400 0.8023857), wk = 0.0022523 k( 208) = ( 0.1888889 0.1090551 0.8023857), wk = 0.0022523 k( 209) = ( 0.2000000 0.1154701 0.8023857), wk = 0.0022523 k( 210) = ( 0.2111111 0.1218851 0.8023857), wk = 0.0022523 k( 211) = ( 0.2222222 0.1283001 0.8023857), wk = 0.0022523 k( 212) = ( 0.2333333 0.1347151 0.8023857), wk = 0.0022523 k( 213) = ( 0.2444444 0.1411301 0.8023857), wk = 0.0022523 k( 214) = ( 0.2555556 0.1475451 0.8023857), wk = 0.0022523 k( 215) = ( 0.2666667 0.1539601 0.8023857), wk = 0.0022523 k( 216) = ( 0.2777778 0.1603751 0.8023857), wk = 0.0022523 k( 217) = ( 0.2888889 0.1667901 0.8023857), wk = 0.0022523 k( 218) = ( 0.3000000 0.1732051 0.8023857), wk = 0.0022523 k( 219) = ( 0.3111111 0.1796201 0.8023857), wk = 0.0022523 k( 220) = ( 0.3222222 0.1860351 0.8023857), wk = 0.0022523 k( 221) = ( 0.3333333 0.1924501 0.8023857), wk = 0.0022523 k( 222) = ( 0.3444444 0.1988651 0.8023857), wk = 0.0022523 k( 223) = ( 0.3555556 0.2052801 0.8023857), wk = 0.0022523 k( 224) = ( 0.3666667 0.2116951 0.8023857), wk = 0.0022523 k( 225) = ( 0.3777778 0.2181101 0.8023857), wk = 0.0022523 k( 226) = ( 0.3888889 0.2245251 0.8023857), wk = 0.0022523 k( 227) = ( 0.4000000 0.2309401 0.8023857), wk = 0.0022523 k( 228) = ( 0.4111111 0.2373551 0.8023857), wk = 0.0022523 k( 229) = ( 0.4222222 0.2437701 0.8023857), wk = 0.0022523 k( 230) = ( 0.4333333 0.2501851 0.8023857), wk = 0.0022523 k( 231) = ( 0.4444444 0.2566001 0.8023857), wk = 0.0022523 k( 232) = ( 0.4555556 0.2630151 0.8023857), wk = 0.0022523 k( 233) = ( 0.4666667 0.2694301 0.8023857), wk = 0.0022523 k( 234) = ( 0.4777778 0.2758451 0.8023857), wk = 0.0022523 k( 235) = ( 0.4888889 0.2822601 0.8023857), wk = 0.0022523 k( 236) = ( 0.5000000 0.2886751 0.8023857), wk = 0.0022523 k( 237) = ( 0.5000000 0.2886751 0.8023857), wk = 0.0022523 k( 238) = ( 0.4935897 0.2997780 0.8023857), wk = 0.0022523 k( 239) = ( 0.4871795 0.3108809 0.8023857), wk = 0.0022523 k( 240) = ( 0.4807692 0.3219838 0.8023857), wk = 0.0022523 k( 241) = ( 0.4743590 0.3330867 0.8023857), wk = 0.0022523 k( 242) = ( 0.4679487 0.3441896 0.8023857), wk = 0.0022523 k( 243) = ( 0.4615385 0.3552925 0.8023857), wk = 0.0022523 k( 244) = ( 0.4551282 0.3663954 0.8023857), wk = 0.0022523 k( 245) = ( 0.4487179 0.3774983 0.8023857), wk = 0.0022523 k( 246) = ( 0.4423077 0.3886011 0.8023857), wk = 0.0022523 k( 247) = ( 0.4358974 0.3997040 0.8023857), wk = 0.0022523 k( 248) = ( 0.4294872 0.4108069 0.8023857), wk = 0.0022523 k( 249) = ( 0.4230769 0.4219098 0.8023857), wk = 0.0022523 k( 250) = ( 0.4166667 0.4330127 0.8023857), wk = 0.0022523 k( 251) = ( 0.4102564 0.4441156 0.8023857), wk = 0.0022523 k( 252) = ( 0.4038462 0.4552185 0.8023857), wk = 0.0022523 k( 253) = ( 0.3974359 0.4663214 0.8023857), wk = 0.0022523 k( 254) = ( 0.3910256 0.4774243 0.8023857), wk = 0.0022523 k( 255) = ( 0.3846154 0.4885271 0.8023857), wk = 0.0022523 k( 256) = ( 0.3782051 0.4996300 0.8023857), wk = 0.0022523 k( 257) = ( 0.3717949 0.5107329 0.8023857), wk = 0.0022523 k( 258) = ( 0.3653846 0.5218358 0.8023857), wk = 0.0022523 k( 259) = ( 0.3589744 0.5329387 0.8023857), wk = 0.0022523 k( 260) = ( 0.3525641 0.5440416 0.8023857), wk = 0.0022523 k( 261) = ( 0.3461538 0.5551445 0.8023857), wk = 0.0022523 k( 262) = ( 0.3397436 0.5662474 0.8023857), wk = 0.0022523 k( 263) = ( 0.3333333 0.5773503 0.8023857), wk = 0.0022523 k( 264) = ( 0.3333333 0.5773503 0.8023857), wk = 0.0022523 k( 265) = ( 0.3269231 0.5662474 0.8023857), wk = 0.0022523 k( 266) = ( 0.3205128 0.5551445 0.8023857), wk = 0.0022523 k( 267) = ( 0.3141026 0.5440416 0.8023857), wk = 0.0022523 k( 268) = ( 0.3076923 0.5329387 0.8023857), wk = 0.0022523 k( 269) = ( 0.3012821 0.5218358 0.8023857), wk = 0.0022523 k( 270) = ( 0.2948718 0.5107329 0.8023857), wk = 0.0022523 k( 271) = ( 0.2884615 0.4996300 0.8023857), wk = 0.0022523 k( 272) = ( 0.2820513 0.4885271 0.8023857), wk = 0.0022523 k( 273) = ( 0.2756410 0.4774243 0.8023857), wk = 0.0022523 k( 274) = ( 0.2692308 0.4663214 0.8023857), wk = 0.0022523 k( 275) = ( 0.2628205 0.4552185 0.8023857), wk = 0.0022523 k( 276) = ( 0.2564103 0.4441156 0.8023857), wk = 0.0022523 k( 277) = ( 0.2500000 0.4330127 0.8023857), wk = 0.0022523 k( 278) = ( 0.2435897 0.4219098 0.8023857), wk = 0.0022523 k( 279) = ( 0.2371795 0.4108069 0.8023857), wk = 0.0022523 k( 280) = ( 0.2307692 0.3997040 0.8023857), wk = 0.0022523 k( 281) = ( 0.2243590 0.3886011 0.8023857), wk = 0.0022523 k( 282) = ( 0.2179487 0.3774983 0.8023857), wk = 0.0022523 k( 283) = ( 0.2115385 0.3663954 0.8023857), wk = 0.0022523 k( 284) = ( 0.2051282 0.3552925 0.8023857), wk = 0.0022523 k( 285) = ( 0.1987180 0.3441896 0.8023857), wk = 0.0022523 k( 286) = ( 0.1923077 0.3330867 0.8023857), wk = 0.0022523 k( 287) = ( 0.1858974 0.3219838 0.8023857), wk = 0.0022523 k( 288) = ( 0.1794872 0.3108809 0.8023857), wk = 0.0022523 k( 289) = ( 0.1730769 0.2997780 0.8023857), wk = 0.0022523 k( 290) = ( 0.1666667 0.2886751 0.8023857), wk = 0.0022523 k( 291) = ( 0.1602564 0.2775722 0.8023857), wk = 0.0022523 k( 292) = ( 0.1538461 0.2664693 0.8023857), wk = 0.0022523 k( 293) = ( 0.1474359 0.2553665 0.8023857), wk = 0.0022523 k( 294) = ( 0.1410256 0.2442636 0.8023857), wk = 0.0022523 k( 295) = ( 0.1346154 0.2331607 0.8023857), wk = 0.0022523 k( 296) = ( 0.1282051 0.2220578 0.8023857), wk = 0.0022523 k( 297) = ( 0.1217949 0.2109549 0.8023857), wk = 0.0022523 k( 298) = ( 0.1153846 0.1998520 0.8023857), wk = 0.0022523 k( 299) = ( 0.1089744 0.1887491 0.8023857), wk = 0.0022523 k( 300) = ( 0.1025641 0.1776462 0.8023857), wk = 0.0022523 k( 301) = ( 0.0961538 0.1665434 0.8023857), wk = 0.0022523 k( 302) = ( 0.0897436 0.1554405 0.8023857), wk = 0.0022523 k( 303) = ( 0.0833333 0.1443376 0.8023857), wk = 0.0022523 k( 304) = ( 0.0769231 0.1332347 0.8023857), wk = 0.0022523 k( 305) = ( 0.0705128 0.1221318 0.8023857), wk = 0.0022523 k( 306) = ( 0.0641026 0.1110289 0.8023857), wk = 0.0022523 k( 307) = ( 0.0576923 0.0999260 0.8023857), wk = 0.0022523 k( 308) = ( 0.0512821 0.0888231 0.8023857), wk = 0.0022523 k( 309) = ( 0.0448718 0.0777202 0.8023857), wk = 0.0022523 k( 310) = ( 0.0384615 0.0666173 0.8023857), wk = 0.0022523 k( 311) = ( 0.0320513 0.0555144 0.8023857), wk = 0.0022523 k( 312) = ( 0.0256410 0.0444116 0.8023857), wk = 0.0022523 k( 313) = ( 0.0192308 0.0333087 0.8023857), wk = 0.0022523 k( 314) = ( 0.0128205 0.0222058 0.8023857), wk = 0.0022523 k( 315) = ( 0.0064103 0.0111029 0.8023857), wk = 0.0022523 k( 316) = ( 0.0000000 0.0000000 0.8023857), wk = 0.0022523 k( 317) = ( 0.5000000 0.2886751 0.8023857), wk = 0.0022523 k( 318) = ( 0.5000000 0.2886751 0.7896494), wk = 0.0022523 k( 319) = ( 0.5000000 0.2886751 0.7769131), wk = 0.0022523 k( 320) = ( 0.5000000 0.2886751 0.7641768), wk = 0.0022523 k( 321) = ( 0.5000000 0.2886751 0.7514406), wk = 0.0022523 k( 322) = ( 0.5000000 0.2886751 0.7387043), wk = 0.0022523 k( 323) = ( 0.5000000 0.2886751 0.7259680), wk = 0.0022523 k( 324) = ( 0.5000000 0.2886751 0.7132317), wk = 0.0022523 k( 325) = ( 0.5000000 0.2886751 0.7004954), wk = 0.0022523 k( 326) = ( 0.5000000 0.2886751 0.6877592), wk = 0.0022523 k( 327) = ( 0.5000000 0.2886751 0.6750229), wk = 0.0022523 k( 328) = ( 0.5000000 0.2886751 0.6622866), wk = 0.0022523 k( 329) = ( 0.5000000 0.2886751 0.6495503), wk = 0.0022523 k( 330) = ( 0.5000000 0.2886751 0.6368140), wk = 0.0022523 k( 331) = ( 0.5000000 0.2886751 0.6240778), wk = 0.0022523 k( 332) = ( 0.5000000 0.2886751 0.6113415), wk = 0.0022523 k( 333) = ( 0.5000000 0.2886751 0.5986052), wk = 0.0022523 k( 334) = ( 0.5000000 0.2886751 0.5858689), wk = 0.0022523 k( 335) = ( 0.5000000 0.2886751 0.5731326), wk = 0.0022523 k( 336) = ( 0.5000000 0.2886751 0.5603964), wk = 0.0022523 k( 337) = ( 0.5000000 0.2886751 0.5476601), wk = 0.0022523 k( 338) = ( 0.5000000 0.2886751 0.5349238), wk = 0.0022523 k( 339) = ( 0.5000000 0.2886751 0.5221875), wk = 0.0022523 k( 340) = ( 0.5000000 0.2886751 0.5094512), wk = 0.0022523 k( 341) = ( 0.5000000 0.2886751 0.4967149), wk = 0.0022523 k( 342) = ( 0.5000000 0.2886751 0.4839787), wk = 0.0022523 k( 343) = ( 0.5000000 0.2886751 0.4712424), wk = 0.0022523 k( 344) = ( 0.5000000 0.2886751 0.4585061), wk = 0.0022523 k( 345) = ( 0.5000000 0.2886751 0.4457698), wk = 0.0022523 k( 346) = ( 0.5000000 0.2886751 0.4330335), wk = 0.0022523 k( 347) = ( 0.5000000 0.2886751 0.4202973), wk = 0.0022523 k( 348) = ( 0.5000000 0.2886751 0.4075610), wk = 0.0022523 k( 349) = ( 0.5000000 0.2886751 0.3948247), wk = 0.0022523 k( 350) = ( 0.5000000 0.2886751 0.3820884), wk = 0.0022523 k( 351) = ( 0.5000000 0.2886751 0.3693521), wk = 0.0022523 k( 352) = ( 0.5000000 0.2886751 0.3566159), wk = 0.0022523 k( 353) = ( 0.5000000 0.2886751 0.3438796), wk = 0.0022523 k( 354) = ( 0.5000000 0.2886751 0.3311433), wk = 0.0022523 k( 355) = ( 0.5000000 0.2886751 0.3184070), wk = 0.0022523 k( 356) = ( 0.5000000 0.2886751 0.3056707), wk = 0.0022523 k( 357) = ( 0.5000000 0.2886751 0.2929345), wk = 0.0022523 k( 358) = ( 0.5000000 0.2886751 0.2801982), wk = 0.0022523 k( 359) = ( 0.5000000 0.2886751 0.2674619), wk = 0.0022523 k( 360) = ( 0.5000000 0.2886751 0.2547256), wk = 0.0022523 k( 361) = ( 0.5000000 0.2886751 0.2419893), wk = 0.0022523 k( 362) = ( 0.5000000 0.2886751 0.2292530), wk = 0.0022523 k( 363) = ( 0.5000000 0.2886751 0.2165168), wk = 0.0022523 k( 364) = ( 0.5000000 0.2886751 0.2037805), wk = 0.0022523 k( 365) = ( 0.5000000 0.2886751 0.1910442), wk = 0.0022523 k( 366) = ( 0.5000000 0.2886751 0.1783079), wk = 0.0022523 k( 367) = ( 0.5000000 0.2886751 0.1655716), wk = 0.0022523 k( 368) = ( 0.5000000 0.2886751 0.1528354), wk = 0.0022523 k( 369) = ( 0.5000000 0.2886751 0.1400991), wk = 0.0022523 k( 370) = ( 0.5000000 0.2886751 0.1273628), wk = 0.0022523 k( 371) = ( 0.5000000 0.2886751 0.1146265), wk = 0.0022523 k( 372) = ( 0.5000000 0.2886751 0.1018902), wk = 0.0022523 k( 373) = ( 0.5000000 0.2886751 0.0891540), wk = 0.0022523 k( 374) = ( 0.5000000 0.2886751 0.0764177), wk = 0.0022523 k( 375) = ( 0.5000000 0.2886751 0.0636814), wk = 0.0022523 k( 376) = ( 0.5000000 0.2886751 0.0509451), wk = 0.0022523 k( 377) = ( 0.5000000 0.2886751 0.0382088), wk = 0.0022523 k( 378) = ( 0.5000000 0.2886751 0.0254726), wk = 0.0022523 k( 379) = ( 0.5000000 0.2886751 0.0127363), wk = 0.0022523 k( 380) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 381) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 382) = ( 0.3333333 0.5773503 0.0127363), wk = 0.0022523 k( 383) = ( 0.3333333 0.5773503 0.0254726), wk = 0.0022523 k( 384) = ( 0.3333333 0.5773503 0.0382088), wk = 0.0022523 k( 385) = ( 0.3333333 0.5773503 0.0509451), wk = 0.0022523 k( 386) = ( 0.3333333 0.5773503 0.0636814), wk = 0.0022523 k( 387) = ( 0.3333333 0.5773503 0.0764177), wk = 0.0022523 k( 388) = ( 0.3333333 0.5773503 0.0891540), wk = 0.0022523 k( 389) = ( 0.3333333 0.5773503 0.1018902), wk = 0.0022523 k( 390) = ( 0.3333333 0.5773503 0.1146265), wk = 0.0022523 k( 391) = ( 0.3333333 0.5773503 0.1273628), wk = 0.0022523 k( 392) = ( 0.3333333 0.5773503 0.1400991), wk = 0.0022523 k( 393) = ( 0.3333333 0.5773503 0.1528354), wk = 0.0022523 k( 394) = ( 0.3333333 0.5773503 0.1655716), wk = 0.0022523 k( 395) = ( 0.3333333 0.5773503 0.1783079), wk = 0.0022523 k( 396) = ( 0.3333333 0.5773503 0.1910442), wk = 0.0022523 k( 397) = ( 0.3333333 0.5773503 0.2037805), wk = 0.0022523 k( 398) = ( 0.3333333 0.5773503 0.2165168), wk = 0.0022523 k( 399) = ( 0.3333333 0.5773503 0.2292530), wk = 0.0022523 k( 400) = ( 0.3333333 0.5773503 0.2419893), wk = 0.0022523 k( 401) = ( 0.3333333 0.5773503 0.2547256), wk = 0.0022523 k( 402) = ( 0.3333333 0.5773503 0.2674619), wk = 0.0022523 k( 403) = ( 0.3333333 0.5773503 0.2801982), wk = 0.0022523 k( 404) = ( 0.3333333 0.5773503 0.2929345), wk = 0.0022523 k( 405) = ( 0.3333333 0.5773503 0.3056707), wk = 0.0022523 k( 406) = ( 0.3333333 0.5773503 0.3184070), wk = 0.0022523 k( 407) = ( 0.3333333 0.5773503 0.3311433), wk = 0.0022523 k( 408) = ( 0.3333333 0.5773503 0.3438796), wk = 0.0022523 k( 409) = ( 0.3333333 0.5773503 0.3566159), wk = 0.0022523 k( 410) = ( 0.3333333 0.5773503 0.3693521), wk = 0.0022523 k( 411) = ( 0.3333333 0.5773503 0.3820884), wk = 0.0022523 k( 412) = ( 0.3333333 0.5773503 0.3948247), wk = 0.0022523 k( 413) = ( 0.3333333 0.5773503 0.4075610), wk = 0.0022523 k( 414) = ( 0.3333333 0.5773503 0.4202973), wk = 0.0022523 k( 415) = ( 0.3333333 0.5773503 0.4330335), wk = 0.0022523 k( 416) = ( 0.3333333 0.5773503 0.4457698), wk = 0.0022523 k( 417) = ( 0.3333333 0.5773503 0.4585061), wk = 0.0022523 k( 418) = ( 0.3333333 0.5773503 0.4712424), wk = 0.0022523 k( 419) = ( 0.3333333 0.5773503 0.4839787), wk = 0.0022523 k( 420) = ( 0.3333333 0.5773503 0.4967149), wk = 0.0022523 k( 421) = ( 0.3333333 0.5773503 0.5094512), wk = 0.0022523 k( 422) = ( 0.3333333 0.5773503 0.5221875), wk = 0.0022523 k( 423) = ( 0.3333333 0.5773503 0.5349238), wk = 0.0022523 k( 424) = ( 0.3333333 0.5773503 0.5476601), wk = 0.0022523 k( 425) = ( 0.3333333 0.5773503 0.5603964), wk = 0.0022523 k( 426) = ( 0.3333333 0.5773503 0.5731326), wk = 0.0022523 k( 427) = ( 0.3333333 0.5773503 0.5858689), wk = 0.0022523 k( 428) = ( 0.3333333 0.5773503 0.5986052), wk = 0.0022523 k( 429) = ( 0.3333333 0.5773503 0.6113415), wk = 0.0022523 k( 430) = ( 0.3333333 0.5773503 0.6240778), wk = 0.0022523 k( 431) = ( 0.3333333 0.5773503 0.6368140), wk = 0.0022523 k( 432) = ( 0.3333333 0.5773503 0.6495503), wk = 0.0022523 k( 433) = ( 0.3333333 0.5773503 0.6622866), wk = 0.0022523 k( 434) = ( 0.3333333 0.5773503 0.6750229), wk = 0.0022523 k( 435) = ( 0.3333333 0.5773503 0.6877592), wk = 0.0022523 k( 436) = ( 0.3333333 0.5773503 0.7004954), wk = 0.0022523 k( 437) = ( 0.3333333 0.5773503 0.7132317), wk = 0.0022523 k( 438) = ( 0.3333333 0.5773503 0.7259680), wk = 0.0022523 k( 439) = ( 0.3333333 0.5773503 0.7387043), wk = 0.0022523 k( 440) = ( 0.3333333 0.5773503 0.7514406), wk = 0.0022523 k( 441) = ( 0.3333333 0.5773503 0.7641768), wk = 0.0022523 k( 442) = ( 0.3333333 0.5773503 0.7769131), wk = 0.0022523 k( 443) = ( 0.3333333 0.5773503 0.7896494), wk = 0.0022523 k( 444) = ( 0.3333333 0.5773503 0.8023857), wk = 0.0022523 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0022523 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0022523 k( 4) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0022523 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0022523 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0022523 k( 9) = ( 0.0888889 0.0000000 -0.0000000), wk = 0.0022523 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0022523 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0022523 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0022523 k( 13) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0022523 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0022523 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0022523 k( 16) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0022523 k( 17) = ( 0.1777778 0.0000000 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0022523 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0022523 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0022523 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0022523 k( 22) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0022523 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0022523 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0022523 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0022523 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0022523 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0022523 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0022523 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0022523 k( 30) = ( 0.3222222 0.0000000 -0.0000000), wk = 0.0022523 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022523 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0022523 k( 33) = ( 0.3555556 0.0000000 -0.0000000), wk = 0.0022523 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0022523 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0022523 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0022523 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0022523 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0022523 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0022523 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0022523 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0022523 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0022523 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0022523 k( 44) = ( 0.4777778 0.0000000 -0.0000000), wk = 0.0022523 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0022523 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0022523 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0022523 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0022523 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0022523 k( 52) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0022523 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0022523 k( 54) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0022523 k( 55) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0022523 k( 56) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0022523 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0022523 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0022523 k( 59) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0022523 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0022523 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0022523 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0022523 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0022523 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0022523 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0022523 k( 66) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0022523 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0022523 k( 68) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0022523 k( 69) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0022523 k( 70) = ( 0.3525641 0.2948718 -0.0000000), wk = 0.0022523 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0022523 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0022523 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0022523 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0022523 k( 77) = ( 0.3141026 0.3141026 -0.0000000), wk = 0.0022523 k( 78) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0022523 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0022523 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0022523 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0022523 k( 82) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0022523 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0022523 k( 84) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0022523 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0022523 k( 86) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0022523 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022523 k( 88) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0022523 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0022523 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0022523 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0022523 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0022523 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0022523 k( 94) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0022523 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0022523 k( 96) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0022523 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0022523 k( 98) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0022523 k( 99) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0022523 k( 100) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022523 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0022523 k( 102) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0022523 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0022523 k( 104) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0022523 k( 105) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0022523 k( 106) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0022523 k( 107) = ( 0.1217949 0.1217949 -0.0000000), wk = 0.0022523 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0022523 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0022523 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0022523 k( 111) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0022523 k( 112) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0022523 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0022523 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0022523 k( 115) = ( 0.0705128 0.0705128 -0.0000000), wk = 0.0022523 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0022523 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0022523 k( 118) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0022523 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0022523 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0022523 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0022523 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0022523 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0022523 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0022523 k( 125) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0022523 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 128) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0022523 k( 129) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0022523 k( 130) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022523 k( 131) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0022523 k( 132) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0022523 k( 133) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022523 k( 134) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0022523 k( 135) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0022523 k( 136) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022523 k( 137) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0022523 k( 138) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0022523 k( 139) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022523 k( 140) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0022523 k( 141) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0022523 k( 142) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022523 k( 143) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0022523 k( 144) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0022523 k( 145) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022523 k( 146) = ( 0.0000000 0.0000000 0.1507937), wk = 0.0022523 k( 147) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0022523 k( 148) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022523 k( 149) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0022523 k( 150) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0022523 k( 151) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022523 k( 152) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0022523 k( 153) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0022523 k( 154) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022523 k( 155) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0022523 k( 156) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0022523 k( 157) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022523 k( 158) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0022523 k( 159) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0022523 k( 160) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022523 k( 161) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0022523 k( 162) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0022523 k( 163) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022523 k( 164) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0022523 k( 165) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0022523 k( 166) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022523 k( 167) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0022523 k( 168) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0022523 k( 169) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022523 k( 170) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0022523 k( 171) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 192) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0022523 k( 193) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0022523 k( 194) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0022523 k( 195) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0022523 k( 196) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0022523 k( 197) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0022523 k( 198) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0022523 k( 199) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0022523 k( 200) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022523 k( 201) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0022523 k( 202) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0022523 k( 203) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0022523 k( 204) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0022523 k( 205) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0022523 k( 206) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022523 k( 207) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0022523 k( 208) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0022523 k( 209) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022523 k( 210) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0022523 k( 211) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0022523 k( 212) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0022523 k( 213) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0022523 k( 214) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0022523 k( 215) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0022523 k( 216) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0022523 k( 217) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0022523 k( 218) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0022523 k( 219) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0022523 k( 220) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0022523 k( 221) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022523 k( 222) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0022523 k( 223) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0022523 k( 224) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0022523 k( 225) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0022523 k( 226) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0022523 k( 227) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022523 k( 228) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0022523 k( 229) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0022523 k( 230) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0022523 k( 231) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0022523 k( 232) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0022523 k( 233) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0022523 k( 234) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0022523 k( 235) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0022523 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 237) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 238) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0022523 k( 239) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0022523 k( 240) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0022523 k( 241) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0022523 k( 242) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0022523 k( 243) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0022523 k( 244) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0022523 k( 245) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0022523 k( 246) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0022523 k( 247) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0022523 k( 248) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0022523 k( 249) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0022523 k( 250) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022523 k( 251) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0022523 k( 252) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0022523 k( 253) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0022523 k( 254) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0022523 k( 255) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0022523 k( 256) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0022523 k( 257) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0022523 k( 258) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0022523 k( 259) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0022523 k( 260) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0022523 k( 261) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0022523 k( 262) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0022523 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 k( 265) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0022523 k( 266) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0022523 k( 267) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0022523 k( 268) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0022523 k( 269) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0022523 k( 270) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0022523 k( 271) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0022523 k( 272) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0022523 k( 273) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0022523 k( 274) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0022523 k( 275) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0022523 k( 276) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0022523 k( 277) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022523 k( 278) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0022523 k( 279) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0022523 k( 280) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0022523 k( 281) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0022523 k( 282) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0022523 k( 283) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0022523 k( 284) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0022523 k( 285) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0022523 k( 286) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0022523 k( 287) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0022523 k( 288) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0022523 k( 289) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0022523 k( 290) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022523 k( 291) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0022523 k( 292) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0022523 k( 293) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0022523 k( 294) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0022523 k( 295) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0022523 k( 296) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0022523 k( 297) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0022523 k( 298) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0022523 k( 299) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0022523 k( 300) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0022523 k( 301) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0022523 k( 302) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0022523 k( 303) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0022523 k( 304) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0022523 k( 305) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0022523 k( 306) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0022523 k( 307) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0022523 k( 308) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0022523 k( 309) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0022523 k( 310) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0022523 k( 311) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0022523 k( 312) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0022523 k( 313) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0022523 k( 314) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0022523 k( 315) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0022523 k( 316) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 318) = ( 0.5000000 0.0000000 0.4920635), wk = 0.0022523 k( 319) = ( 0.5000000 0.0000000 0.4841270), wk = 0.0022523 k( 320) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0022523 k( 321) = ( 0.5000000 0.0000000 0.4682540), wk = 0.0022523 k( 322) = ( 0.5000000 0.0000000 0.4603175), wk = 0.0022523 k( 323) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0022523 k( 324) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0022523 k( 325) = ( 0.5000000 0.0000000 0.4365079), wk = 0.0022523 k( 326) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0022523 k( 327) = ( 0.5000000 0.0000000 0.4206349), wk = 0.0022523 k( 328) = ( 0.5000000 0.0000000 0.4126984), wk = 0.0022523 k( 329) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0022523 k( 330) = ( 0.5000000 0.0000000 0.3968254), wk = 0.0022523 k( 331) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0022523 k( 332) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0022523 k( 333) = ( 0.5000000 0.0000000 0.3730159), wk = 0.0022523 k( 334) = ( 0.5000000 0.0000000 0.3650794), wk = 0.0022523 k( 335) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0022523 k( 336) = ( 0.5000000 0.0000000 0.3492063), wk = 0.0022523 k( 337) = ( 0.5000000 0.0000000 0.3412698), wk = 0.0022523 k( 338) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0022523 k( 339) = ( 0.5000000 0.0000000 0.3253968), wk = 0.0022523 k( 340) = ( 0.5000000 0.0000000 0.3174603), wk = 0.0022523 k( 341) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0022523 k( 342) = ( 0.5000000 0.0000000 0.3015873), wk = 0.0022523 k( 343) = ( 0.5000000 0.0000000 0.2936508), wk = 0.0022523 k( 344) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0022523 k( 345) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0022523 k( 346) = ( 0.5000000 0.0000000 0.2698413), wk = 0.0022523 k( 347) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0022523 k( 348) = ( 0.5000000 0.0000000 0.2539683), wk = 0.0022523 k( 349) = ( 0.5000000 0.0000000 0.2460317), wk = 0.0022523 k( 350) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0022523 k( 351) = ( 0.5000000 0.0000000 0.2301587), wk = 0.0022523 k( 352) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0022523 k( 353) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0022523 k( 354) = ( 0.5000000 0.0000000 0.2063492), wk = 0.0022523 k( 355) = ( 0.5000000 0.0000000 0.1984127), wk = 0.0022523 k( 356) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0022523 k( 357) = ( 0.5000000 0.0000000 0.1825397), wk = 0.0022523 k( 358) = ( 0.5000000 0.0000000 0.1746032), wk = 0.0022523 k( 359) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0022523 k( 360) = ( 0.5000000 0.0000000 0.1587302), wk = 0.0022523 k( 361) = ( 0.5000000 0.0000000 0.1507937), wk = 0.0022523 k( 362) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0022523 k( 363) = ( 0.5000000 0.0000000 0.1349206), wk = 0.0022523 k( 364) = ( 0.5000000 0.0000000 0.1269841), wk = 0.0022523 k( 365) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0022523 k( 366) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0022523 k( 367) = ( 0.5000000 0.0000000 0.1031746), wk = 0.0022523 k( 368) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0022523 k( 369) = ( 0.5000000 0.0000000 0.0873016), wk = 0.0022523 k( 370) = ( 0.5000000 0.0000000 0.0793651), wk = 0.0022523 k( 371) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0022523 k( 372) = ( 0.5000000 0.0000000 0.0634921), wk = 0.0022523 k( 373) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0022523 k( 374) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0022523 k( 375) = ( 0.5000000 0.0000000 0.0396825), wk = 0.0022523 k( 376) = ( 0.5000000 0.0000000 0.0317460), wk = 0.0022523 k( 377) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0022523 k( 378) = ( 0.5000000 0.0000000 0.0158730), wk = 0.0022523 k( 379) = ( 0.5000000 0.0000000 0.0079365), wk = 0.0022523 k( 380) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 381) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 382) = ( 0.3333333 0.3333333 0.0079365), wk = 0.0022523 k( 383) = ( 0.3333333 0.3333333 0.0158730), wk = 0.0022523 k( 384) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0022523 k( 385) = ( 0.3333333 0.3333333 0.0317460), wk = 0.0022523 k( 386) = ( 0.3333333 0.3333333 0.0396825), wk = 0.0022523 k( 387) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0022523 k( 388) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0022523 k( 389) = ( 0.3333333 0.3333333 0.0634921), wk = 0.0022523 k( 390) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0022523 k( 391) = ( 0.3333333 0.3333333 0.0793651), wk = 0.0022523 k( 392) = ( 0.3333333 0.3333333 0.0873016), wk = 0.0022523 k( 393) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0022523 k( 394) = ( 0.3333333 0.3333333 0.1031746), wk = 0.0022523 k( 395) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0022523 k( 396) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0022523 k( 397) = ( 0.3333333 0.3333333 0.1269841), wk = 0.0022523 k( 398) = ( 0.3333333 0.3333333 0.1349206), wk = 0.0022523 k( 399) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0022523 k( 400) = ( 0.3333333 0.3333333 0.1507937), wk = 0.0022523 k( 401) = ( 0.3333333 0.3333333 0.1587302), wk = 0.0022523 k( 402) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0022523 k( 403) = ( 0.3333333 0.3333333 0.1746032), wk = 0.0022523 k( 404) = ( 0.3333333 0.3333333 0.1825397), wk = 0.0022523 k( 405) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0022523 k( 406) = ( 0.3333333 0.3333333 0.1984127), wk = 0.0022523 k( 407) = ( 0.3333333 0.3333333 0.2063492), wk = 0.0022523 k( 408) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0022523 k( 409) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0022523 k( 410) = ( 0.3333333 0.3333333 0.2301587), wk = 0.0022523 k( 411) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0022523 k( 412) = ( 0.3333333 0.3333333 0.2460318), wk = 0.0022523 k( 413) = ( 0.3333333 0.3333333 0.2539683), wk = 0.0022523 k( 414) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0022523 k( 415) = ( 0.3333333 0.3333333 0.2698413), wk = 0.0022523 k( 416) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0022523 k( 417) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0022523 k( 418) = ( 0.3333333 0.3333333 0.2936508), wk = 0.0022523 k( 419) = ( 0.3333333 0.3333333 0.3015873), wk = 0.0022523 k( 420) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0022523 k( 421) = ( 0.3333333 0.3333333 0.3174603), wk = 0.0022523 k( 422) = ( 0.3333333 0.3333333 0.3253968), wk = 0.0022523 k( 423) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022523 k( 424) = ( 0.3333333 0.3333333 0.3412698), wk = 0.0022523 k( 425) = ( 0.3333333 0.3333333 0.3492063), wk = 0.0022523 k( 426) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0022523 k( 427) = ( 0.3333333 0.3333333 0.3650794), wk = 0.0022523 k( 428) = ( 0.3333333 0.3333333 0.3730159), wk = 0.0022523 k( 429) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0022523 k( 430) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0022523 k( 431) = ( 0.3333333 0.3333333 0.3968254), wk = 0.0022523 k( 432) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0022523 k( 433) = ( 0.3333333 0.3333333 0.4126984), wk = 0.0022523 k( 434) = ( 0.3333333 0.3333333 0.4206349), wk = 0.0022523 k( 435) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0022523 k( 436) = ( 0.3333333 0.3333333 0.4365079), wk = 0.0022523 k( 437) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0022523 k( 438) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0022523 k( 439) = ( 0.3333333 0.3333333 0.4603175), wk = 0.0022523 k( 440) = ( 0.3333333 0.3333333 0.4682540), wk = 0.0022523 k( 441) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0022523 k( 442) = ( 0.3333333 0.3333333 0.4841270), wk = 0.0022523 k( 443) = ( 0.3333333 0.3333333 0.4920635), wk = 0.0022523 k( 444) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 Dense grid: 14825 G-vectors FFT dimensions: ( 40, 40, 24) Smooth grid: 10137 G-vectors FFT dimensions: ( 36, 36, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 78, 28) NL pseudopotentials 0.05 Mb ( 39, 82) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 412) G-vector shells 0.00 Mb ( 182) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 78, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.07 Mb ( 82, 2, 28) The potential is recalculated from file : ./Fe2Ge.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 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 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.9 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 5.4 secs Computing kpt #: 26 total cpu time spent up to now is 5.5 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.7 secs Computing kpt #: 29 total cpu time spent up to now is 5.8 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.4 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.5 secs Computing kpt #: 38 total cpu time spent up to now is 6.6 secs Computing kpt #: 39 total cpu time spent up to now is 6.7 secs Computing kpt #: 40 total cpu time spent up to now is 6.8 secs Computing kpt #: 41 total cpu time spent up to now is 6.9 secs Computing kpt #: 42 total cpu time spent up to now is 7.0 secs Computing kpt #: 43 total cpu time spent up to now is 7.1 secs Computing kpt #: 44 total cpu time spent up to now is 7.2 secs Computing kpt #: 45 total cpu time spent up to now is 7.3 secs Computing kpt #: 46 total cpu time spent up to now is 7.4 secs Computing kpt #: 47 total cpu time spent up to now is 7.4 secs Computing kpt #: 48 total cpu time spent up to now is 7.5 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.8 secs Computing kpt #: 52 total cpu time spent up to now is 7.9 secs Computing kpt #: 53 total cpu time spent up to now is 8.0 secs Computing kpt #: 54 total cpu time spent up to now is 8.1 secs Computing kpt #: 55 total cpu time spent up to now is 8.2 secs Computing kpt #: 56 total cpu time spent up to now is 8.3 secs Computing kpt #: 57 total cpu time spent up to now is 8.4 secs Computing kpt #: 58 total cpu time spent up to now is 8.4 secs Computing kpt #: 59 total cpu time spent up to now is 8.5 secs Computing kpt #: 60 total cpu time spent up to now is 8.6 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 8.9 secs Computing kpt #: 64 total cpu time spent up to now is 9.0 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.5 secs Computing kpt #: 69 total cpu time spent up to now is 9.6 secs Computing kpt #: 70 total cpu time spent up to now is 9.7 secs Computing kpt #: 71 total cpu time spent up to now is 9.8 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.2 secs Computing kpt #: 75 total cpu time spent up to now is 10.3 secs Computing kpt #: 76 total cpu time spent up to now is 10.4 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.7 secs Computing kpt #: 79 total cpu time spent up to now is 10.8 secs Computing kpt #: 80 total cpu time spent up to now is 10.9 secs Computing kpt #: 81 total cpu time spent up to now is 11.0 secs Computing kpt #: 82 total cpu time spent up to now is 11.2 secs Computing kpt #: 83 total cpu time spent up to now is 11.3 secs Computing kpt #: 84 total cpu time spent up to now is 11.4 secs Computing kpt #: 85 total cpu time spent up to now is 11.5 secs Computing kpt #: 86 total cpu time spent up to now is 11.6 secs Computing kpt #: 87 total cpu time spent up to now is 11.7 secs Computing kpt #: 88 total cpu time spent up to now is 11.9 secs Computing kpt #: 89 total cpu time spent up to now is 12.0 secs Computing kpt #: 90 total cpu time spent up to now is 12.1 secs Computing kpt #: 91 total cpu time spent up to now is 12.2 secs Computing kpt #: 92 total cpu time spent up to now is 12.3 secs Computing kpt #: 93 total cpu time spent up to now is 12.4 secs Computing kpt #: 94 total cpu time spent up to now is 12.5 secs Computing kpt #: 95 total cpu time spent up to now is 12.6 secs Computing kpt #: 96 total cpu time spent up to now is 12.7 secs Computing kpt #: 97 total cpu time spent up to now is 12.9 secs Computing kpt #: 98 total cpu time spent up to now is 13.0 secs Computing kpt #: 99 total cpu time spent up to now is 13.1 secs Computing kpt #: 100 total cpu time spent up to now is 13.2 secs Computing kpt #: 101 total cpu time spent up to now is 13.3 secs Computing kpt #: 102 total cpu time spent up to now is 13.4 secs Computing kpt #: 103 total cpu time spent up to now is 13.5 secs Computing kpt #: 104 total cpu time spent up to now is 13.6 secs Computing kpt #: 105 total cpu time spent up to now is 13.7 secs Computing kpt #: 106 total cpu time spent up to now is 13.9 secs Computing kpt #: 107 total cpu time spent up to now is 14.0 secs Computing kpt #: 108 total cpu time spent up to now is 14.1 secs Computing kpt #: 109 total cpu time spent up to now is 14.2 secs Computing kpt #: 110 total cpu time spent up to now is 14.3 secs Computing kpt #: 111 total cpu time spent up to now is 14.4 secs Computing kpt #: 112 total cpu time spent up to now is 14.6 secs Computing kpt #: 113 total cpu time spent up to now is 14.7 secs Computing kpt #: 114 total cpu time spent up to now is 14.8 secs Computing kpt #: 115 total cpu time spent up to now is 14.9 secs Computing kpt #: 116 total cpu time spent up to now is 15.3 secs Computing kpt #: 117 total cpu time spent up to now is 15.4 secs Computing kpt #: 118 total cpu time spent up to now is 15.5 secs Computing kpt #: 119 total cpu time spent up to now is 15.6 secs Computing kpt #: 120 total cpu time spent up to now is 15.8 secs Computing kpt #: 121 total cpu time spent up to now is 15.9 secs Computing kpt #: 122 total cpu time spent up to now is 16.0 secs Computing kpt #: 123 total cpu time spent up to now is 16.1 secs Computing kpt #: 124 total cpu time spent up to now is 16.3 secs Computing kpt #: 125 total cpu time spent up to now is 16.4 secs Computing kpt #: 126 total cpu time spent up to now is 16.5 secs Computing kpt #: 127 total cpu time spent up to now is 16.6 secs Computing kpt #: 128 total cpu time spent up to now is 16.8 secs Computing kpt #: 129 total cpu time spent up to now is 16.9 secs Computing kpt #: 130 total cpu time spent up to now is 17.0 secs Computing kpt #: 131 total cpu time spent up to now is 17.1 secs Computing kpt #: 132 total cpu time spent up to now is 17.2 secs Computing kpt #: 133 total cpu time spent up to now is 17.4 secs Computing kpt #: 134 total cpu time spent up to now is 17.5 secs Computing kpt #: 135 total cpu time spent up to now is 17.6 secs Computing kpt #: 136 total cpu time spent up to now is 17.7 secs Computing kpt #: 137 total cpu time spent up to now is 17.8 secs Computing kpt #: 138 total cpu time spent up to now is 18.0 secs Computing kpt #: 139 total cpu time spent up to now is 18.1 secs Computing kpt #: 140 total cpu time spent up to now is 18.2 secs Computing kpt #: 141 total cpu time spent up to now is 18.3 secs Computing kpt #: 142 total cpu time spent up to now is 18.4 secs Computing kpt #: 143 total cpu time spent up to now is 18.5 secs Computing kpt #: 144 total cpu time spent up to now is 18.7 secs Computing kpt #: 145 total cpu time spent up to now is 18.8 secs Computing kpt #: 146 total cpu time spent up to now is 18.9 secs Computing kpt #: 147 total cpu time spent up to now is 19.0 secs Computing kpt #: 148 total cpu time spent up to now is 19.1 secs Computing kpt #: 149 total cpu time spent up to now is 19.2 secs Computing kpt #: 150 total cpu time spent up to now is 19.4 secs Computing kpt #: 151 total cpu time spent up to now is 19.5 secs Computing kpt #: 152 total cpu time spent up to now is 19.6 secs Computing kpt #: 153 total cpu time spent up to now is 19.8 secs Computing kpt #: 154 total cpu time spent up to now is 19.9 secs Computing kpt #: 155 total cpu time spent up to now is 20.1 secs Computing kpt #: 156 total cpu time spent up to now is 20.2 secs Computing kpt #: 157 total cpu time spent up to now is 20.4 secs Computing kpt #: 158 total cpu time spent up to now is 20.5 secs Computing kpt #: 159 total cpu time spent up to now is 20.7 secs Computing kpt #: 160 total cpu time spent up to now is 20.8 secs Computing kpt #: 161 total cpu time spent up to now is 20.9 secs Computing kpt #: 162 total cpu time spent up to now is 21.1 secs Computing kpt #: 163 total cpu time spent up to now is 21.2 secs Computing kpt #: 164 total cpu time spent up to now is 21.3 secs Computing kpt #: 165 total cpu time spent up to now is 21.5 secs Computing kpt #: 166 total cpu time spent up to now is 21.6 secs Computing kpt #: 167 total cpu time spent up to now is 21.7 secs Computing kpt #: 168 total cpu time spent up to now is 21.9 secs Computing kpt #: 169 total cpu time spent up to now is 22.0 secs Computing kpt #: 170 total cpu time spent up to now is 22.1 secs Computing kpt #: 171 total cpu time spent up to now is 22.3 secs Computing kpt #: 172 total cpu time spent up to now is 22.4 secs Computing kpt #: 173 total cpu time spent up to now is 22.5 secs Computing kpt #: 174 total cpu time spent up to now is 22.7 secs Computing kpt #: 175 total cpu time spent up to now is 22.8 secs Computing kpt #: 176 total cpu time spent up to now is 23.0 secs Computing kpt #: 177 total cpu time spent up to now is 23.2 secs Computing kpt #: 178 total cpu time spent up to now is 23.3 secs Computing kpt #: 179 total cpu time spent up to now is 23.5 secs Computing kpt #: 180 total cpu time spent up to now is 23.6 secs Computing kpt #: 181 total cpu time spent up to now is 23.7 secs Computing kpt #: 182 total cpu time spent up to now is 23.9 secs Computing kpt #: 183 total cpu time spent up to now is 24.0 secs Computing kpt #: 184 total cpu time spent up to now is 24.1 secs Computing kpt #: 185 total cpu time spent up to now is 24.2 secs Computing kpt #: 186 total cpu time spent up to now is 24.3 secs Computing kpt #: 187 total cpu time spent up to now is 24.5 secs Computing kpt #: 188 total cpu time spent up to now is 24.6 secs Computing kpt #: 189 total cpu time spent up to now is 24.7 secs Computing kpt #: 190 total cpu time spent up to now is 24.8 secs Computing kpt #: 191 total cpu time spent up to now is 24.9 secs Computing kpt #: 192 total cpu time spent up to now is 25.0 secs Computing kpt #: 193 total cpu time spent up to now is 25.1 secs Computing kpt #: 194 total cpu time spent up to now is 25.2 secs Computing kpt #: 195 total cpu time spent up to now is 25.3 secs Computing kpt #: 196 total cpu time spent up to now is 25.4 secs Computing kpt #: 197 total cpu time spent up to now is 25.5 secs Computing kpt #: 198 total cpu time spent up to now is 25.6 secs Computing kpt #: 199 total cpu time spent up to now is 25.7 secs Computing kpt #: 200 total cpu time spent up to now is 25.8 secs Computing kpt #: 201 total cpu time spent up to now is 25.9 secs Computing kpt #: 202 total cpu time spent up to now is 26.1 secs Computing kpt #: 203 total cpu time spent up to now is 26.2 secs Computing kpt #: 204 total cpu time spent up to now is 26.3 secs Computing kpt #: 205 total cpu time spent up to now is 26.4 secs Computing kpt #: 206 total cpu time spent up to now is 26.5 secs Computing kpt #: 207 total cpu time spent up to now is 26.6 secs Computing kpt #: 208 total cpu time spent up to now is 26.8 secs Computing kpt #: 209 total cpu time spent up to now is 26.9 secs Computing kpt #: 210 total cpu time spent up to now is 27.0 secs Computing kpt #: 211 total cpu time spent up to now is 27.2 secs Computing kpt #: 212 total cpu time spent up to now is 27.3 secs Computing kpt #: 213 total cpu time spent up to now is 27.5 secs Computing kpt #: 214 total cpu time spent up to now is 27.6 secs Computing kpt #: 215 total cpu time spent up to now is 27.8 secs Computing kpt #: 216 total cpu time spent up to now is 27.9 secs Computing kpt #: 217 total cpu time spent up to now is 28.1 secs Computing kpt #: 218 total cpu time spent up to now is 28.2 secs Computing kpt #: 219 total cpu time spent up to now is 28.4 secs Computing kpt #: 220 total cpu time spent up to now is 28.6 secs Computing kpt #: 221 total cpu time spent up to now is 28.7 secs Computing kpt #: 222 total cpu time spent up to now is 28.9 secs Computing kpt #: 223 total cpu time spent up to now is 29.0 secs Computing kpt #: 224 total cpu time spent up to now is 29.1 secs Computing kpt #: 225 total cpu time spent up to now is 29.3 secs Computing kpt #: 226 total cpu time spent up to now is 29.4 secs Computing kpt #: 227 total cpu time spent up to now is 29.5 secs Computing kpt #: 228 total cpu time spent up to now is 29.6 secs Computing kpt #: 229 total cpu time spent up to now is 29.8 secs Computing kpt #: 230 total cpu time spent up to now is 29.9 secs Computing kpt #: 231 total cpu time spent up to now is 30.0 secs Computing kpt #: 232 total cpu time spent up to now is 30.1 secs Computing kpt #: 233 total cpu time spent up to now is 30.2 secs Computing kpt #: 234 total cpu time spent up to now is 30.4 secs Computing kpt #: 235 total cpu time spent up to now is 30.5 secs Computing kpt #: 236 total cpu time spent up to now is 30.6 secs Computing kpt #: 237 total cpu time spent up to now is 30.7 secs Computing kpt #: 238 total cpu time spent up to now is 30.8 secs Computing kpt #: 239 total cpu time spent up to now is 30.9 secs Computing kpt #: 240 total cpu time spent up to now is 31.1 secs Computing kpt #: 241 total cpu time spent up to now is 31.2 secs Computing kpt #: 242 total cpu time spent up to now is 31.3 secs Computing kpt #: 243 total cpu time spent up to now is 31.5 secs Computing kpt #: 244 total cpu time spent up to now is 31.6 secs Computing kpt #: 245 total cpu time spent up to now is 31.8 secs Computing kpt #: 246 total cpu time spent up to now is 31.9 secs Computing kpt #: 247 total cpu time spent up to now is 32.0 secs Computing kpt #: 248 total cpu time spent up to now is 32.1 secs Computing kpt #: 249 total cpu time spent up to now is 32.3 secs Computing kpt #: 250 total cpu time spent up to now is 32.4 secs Computing kpt #: 251 total cpu time spent up to now is 32.5 secs Computing kpt #: 252 total cpu time spent up to now is 32.7 secs Computing kpt #: 253 total cpu time spent up to now is 32.8 secs Computing kpt #: 254 total cpu time spent up to now is 32.9 secs Computing kpt #: 255 total cpu time spent up to now is 33.0 secs Computing kpt #: 256 total cpu time spent up to now is 33.1 secs Computing kpt #: 257 total cpu time spent up to now is 33.3 secs Computing kpt #: 258 total cpu time spent up to now is 33.4 secs Computing kpt #: 259 total cpu time spent up to now is 33.5 secs Computing kpt #: 260 total cpu time spent up to now is 33.6 secs Computing kpt #: 261 total cpu time spent up to now is 33.7 secs Computing kpt #: 262 total cpu time spent up to now is 33.9 secs Computing kpt #: 263 total cpu time spent up to now is 34.0 secs Computing kpt #: 264 total cpu time spent up to now is 34.1 secs Computing kpt #: 265 total cpu time spent up to now is 34.2 secs Computing kpt #: 266 total cpu time spent up to now is 34.4 secs Computing kpt #: 267 total cpu time spent up to now is 34.5 secs Computing kpt #: 268 total cpu time spent up to now is 34.6 secs Computing kpt #: 269 total cpu time spent up to now is 34.7 secs Computing kpt #: 270 total cpu time spent up to now is 34.8 secs Computing kpt #: 271 total cpu time spent up to now is 35.0 secs Computing kpt #: 272 total cpu time spent up to now is 35.1 secs Computing kpt #: 273 total cpu time spent up to now is 35.2 secs Computing kpt #: 274 total cpu time spent up to now is 35.3 secs Computing kpt #: 275 total cpu time spent up to now is 35.5 secs Computing kpt #: 276 total cpu time spent up to now is 35.6 secs Computing kpt #: 277 total cpu time spent up to now is 35.7 secs Computing kpt #: 278 total cpu time spent up to now is 35.9 secs Computing kpt #: 279 total cpu time spent up to now is 36.0 secs Computing kpt #: 280 total cpu time spent up to now is 36.1 secs Computing kpt #: 281 total cpu time spent up to now is 36.3 secs Computing kpt #: 282 total cpu time spent up to now is 36.4 secs Computing kpt #: 283 total cpu time spent up to now is 36.5 secs Computing kpt #: 284 total cpu time spent up to now is 36.7 secs Computing kpt #: 285 total cpu time spent up to now is 36.8 secs Computing kpt #: 286 total cpu time spent up to now is 36.9 secs Computing kpt #: 287 total cpu time spent up to now is 37.1 secs Computing kpt #: 288 total cpu time spent up to now is 37.2 secs Computing kpt #: 289 total cpu time spent up to now is 37.3 secs Computing kpt #: 290 total cpu time spent up to now is 37.5 secs Computing kpt #: 291 total cpu time spent up to now is 37.6 secs Computing kpt #: 292 total cpu time spent up to now is 37.8 secs Computing kpt #: 293 total cpu time spent up to now is 37.9 secs Computing kpt #: 294 total cpu time spent up to now is 38.0 secs Computing kpt #: 295 total cpu time spent up to now is 38.1 secs Computing kpt #: 296 total cpu time spent up to now is 38.3 secs Computing kpt #: 297 total cpu time spent up to now is 38.4 secs Computing kpt #: 298 total cpu time spent up to now is 38.5 secs Computing kpt #: 299 total cpu time spent up to now is 38.6 secs Computing kpt #: 300 total cpu time spent up to now is 38.8 secs Computing kpt #: 301 total cpu time spent up to now is 38.9 secs Computing kpt #: 302 total cpu time spent up to now is 39.0 secs Computing kpt #: 303 total cpu time spent up to now is 39.1 secs Computing kpt #: 304 total cpu time spent up to now is 39.2 secs Computing kpt #: 305 total cpu time spent up to now is 39.3 secs Computing kpt #: 306 total cpu time spent up to now is 39.4 secs Computing kpt #: 307 total cpu time spent up to now is 39.5 secs Computing kpt #: 308 total cpu time spent up to now is 39.6 secs Computing kpt #: 309 total cpu time spent up to now is 39.7 secs Computing kpt #: 310 total cpu time spent up to now is 39.8 secs Computing kpt #: 311 total cpu time spent up to now is 39.9 secs Computing kpt #: 312 total cpu time spent up to now is 40.1 secs Computing kpt #: 313 total cpu time spent up to now is 40.2 secs Computing kpt #: 314 total cpu time spent up to now is 40.3 secs Computing kpt #: 315 total cpu time spent up to now is 40.4 secs Computing kpt #: 316 total cpu time spent up to now is 40.5 secs Computing kpt #: 317 total cpu time spent up to now is 40.6 secs Computing kpt #: 318 total cpu time spent up to now is 40.7 secs Computing kpt #: 319 total cpu time spent up to now is 40.8 secs Computing kpt #: 320 total cpu time spent up to now is 41.0 secs Computing kpt #: 321 total cpu time spent up to now is 41.1 secs Computing kpt #: 322 total cpu time spent up to now is 41.3 secs Computing kpt #: 323 total cpu time spent up to now is 41.4 secs Computing kpt #: 324 total cpu time spent up to now is 41.6 secs Computing kpt #: 325 total cpu time spent up to now is 41.7 secs Computing kpt #: 326 total cpu time spent up to now is 41.8 secs Computing kpt #: 327 total cpu time spent up to now is 41.9 secs Computing kpt #: 328 total cpu time spent up to now is 42.0 secs Computing kpt #: 329 total cpu time spent up to now is 42.2 secs Computing kpt #: 330 total cpu time spent up to now is 42.3 secs Computing kpt #: 331 total cpu time spent up to now is 42.4 secs Computing kpt #: 332 total cpu time spent up to now is 42.5 secs Computing kpt #: 333 total cpu time spent up to now is 42.6 secs Computing kpt #: 334 total cpu time spent up to now is 42.7 secs Computing kpt #: 335 total cpu time spent up to now is 42.9 secs Computing kpt #: 336 total cpu time spent up to now is 43.0 secs Computing kpt #: 337 total cpu time spent up to now is 43.1 secs Computing kpt #: 338 total cpu time spent up to now is 43.2 secs Computing kpt #: 339 total cpu time spent up to now is 43.3 secs Computing kpt #: 340 total cpu time spent up to now is 43.4 secs Computing kpt #: 341 total cpu time spent up to now is 43.5 secs Computing kpt #: 342 total cpu time spent up to now is 43.7 secs Computing kpt #: 343 total cpu time spent up to now is 43.8 secs Computing kpt #: 344 total cpu time spent up to now is 43.9 secs Computing kpt #: 345 total cpu time spent up to now is 44.0 secs Computing kpt #: 346 total cpu time spent up to now is 44.1 secs Computing kpt #: 347 total cpu time spent up to now is 44.2 secs Computing kpt #: 348 total cpu time spent up to now is 44.3 secs Computing kpt #: 349 total cpu time spent up to now is 44.5 secs Computing kpt #: 350 total cpu time spent up to now is 44.6 secs Computing kpt #: 351 total cpu time spent up to now is 44.7 secs Computing kpt #: 352 total cpu time spent up to now is 44.8 secs Computing kpt #: 353 total cpu time spent up to now is 44.9 secs Computing kpt #: 354 total cpu time spent up to now is 45.0 secs Computing kpt #: 355 total cpu time spent up to now is 45.2 secs Computing kpt #: 356 total cpu time spent up to now is 45.3 secs Computing kpt #: 357 total cpu time spent up to now is 45.4 secs Computing kpt #: 358 total cpu time spent up to now is 45.6 secs Computing kpt #: 359 total cpu time spent up to now is 45.7 secs Computing kpt #: 360 total cpu time spent up to now is 45.8 secs Computing kpt #: 361 total cpu time spent up to now is 45.9 secs Computing kpt #: 362 total cpu time spent up to now is 46.0 secs Computing kpt #: 363 total cpu time spent up to now is 46.1 secs Computing kpt #: 364 total cpu time spent up to now is 46.2 secs Computing kpt #: 365 total cpu time spent up to now is 46.3 secs Computing kpt #: 366 total cpu time spent up to now is 46.4 secs Computing kpt #: 367 total cpu time spent up to now is 46.5 secs Computing kpt #: 368 total cpu time spent up to now is 46.6 secs Computing kpt #: 369 total cpu time spent up to now is 46.7 secs Computing kpt #: 370 total cpu time spent up to now is 46.8 secs Computing kpt #: 371 total cpu time spent up to now is 46.9 secs Computing kpt #: 372 total cpu time spent up to now is 47.0 secs Computing kpt #: 373 total cpu time spent up to now is 47.1 secs Computing kpt #: 374 total cpu time spent up to now is 47.2 secs Computing kpt #: 375 total cpu time spent up to now is 47.3 secs Computing kpt #: 376 total cpu time spent up to now is 47.3 secs Computing kpt #: 377 total cpu time spent up to now is 47.4 secs Computing kpt #: 378 total cpu time spent up to now is 47.5 secs Computing kpt #: 379 total cpu time spent up to now is 47.6 secs Computing kpt #: 380 total cpu time spent up to now is 47.7 secs Computing kpt #: 381 total cpu time spent up to now is 47.8 secs Computing kpt #: 382 total cpu time spent up to now is 47.9 secs Computing kpt #: 383 total cpu time spent up to now is 48.1 secs Computing kpt #: 384 total cpu time spent up to now is 48.2 secs Computing kpt #: 385 total cpu time spent up to now is 48.3 secs Computing kpt #: 386 total cpu time spent up to now is 48.4 secs Computing kpt #: 387 total cpu time spent up to now is 48.6 secs Computing kpt #: 388 total cpu time spent up to now is 48.7 secs Computing kpt #: 389 total cpu time spent up to now is 48.8 secs Computing kpt #: 390 total cpu time spent up to now is 49.0 secs Computing kpt #: 391 total cpu time spent up to now is 49.1 secs Computing kpt #: 392 total cpu time spent up to now is 49.2 secs Computing kpt #: 393 total cpu time spent up to now is 49.4 secs Computing kpt #: 394 total cpu time spent up to now is 49.5 secs Computing kpt #: 395 total cpu time spent up to now is 49.7 secs Computing kpt #: 396 total cpu time spent up to now is 49.9 secs Computing kpt #: 397 total cpu time spent up to now is 50.0 secs Computing kpt #: 398 total cpu time spent up to now is 50.2 secs Computing kpt #: 399 total cpu time spent up to now is 50.3 secs Computing kpt #: 400 total cpu time spent up to now is 50.5 secs Computing kpt #: 401 total cpu time spent up to now is 50.6 secs Computing kpt #: 402 total cpu time spent up to now is 50.7 secs Computing kpt #: 403 total cpu time spent up to now is 50.8 secs Computing kpt #: 404 total cpu time spent up to now is 50.9 secs Computing kpt #: 405 total cpu time spent up to now is 51.0 secs Computing kpt #: 406 total cpu time spent up to now is 51.1 secs Computing kpt #: 407 total cpu time spent up to now is 51.3 secs Computing kpt #: 408 total cpu time spent up to now is 51.4 secs Computing kpt #: 409 total cpu time spent up to now is 51.5 secs Computing kpt #: 410 total cpu time spent up to now is 51.6 secs Computing kpt #: 411 total cpu time spent up to now is 51.7 secs Computing kpt #: 412 total cpu time spent up to now is 51.8 secs Computing kpt #: 413 total cpu time spent up to now is 51.9 secs Computing kpt #: 414 total cpu time spent up to now is 52.0 secs Computing kpt #: 415 total cpu time spent up to now is 52.0 secs Computing kpt #: 416 total cpu time spent up to now is 52.1 secs Computing kpt #: 417 total cpu time spent up to now is 52.2 secs Computing kpt #: 418 total cpu time spent up to now is 52.3 secs Computing kpt #: 419 total cpu time spent up to now is 52.4 secs Computing kpt #: 420 total cpu time spent up to now is 52.5 secs Computing kpt #: 421 total cpu time spent up to now is 52.6 secs Computing kpt #: 422 total cpu time spent up to now is 52.7 secs Computing kpt #: 423 total cpu time spent up to now is 52.8 secs Computing kpt #: 424 total cpu time spent up to now is 52.9 secs Computing kpt #: 425 total cpu time spent up to now is 53.0 secs Computing kpt #: 426 total cpu time spent up to now is 53.1 secs Computing kpt #: 427 total cpu time spent up to now is 53.2 secs Computing kpt #: 428 total cpu time spent up to now is 53.3 secs Computing kpt #: 429 total cpu time spent up to now is 53.4 secs Computing kpt #: 430 total cpu time spent up to now is 53.5 secs Computing kpt #: 431 total cpu time spent up to now is 53.6 secs Computing kpt #: 432 total cpu time spent up to now is 53.8 secs Computing kpt #: 433 total cpu time spent up to now is 53.9 secs Computing kpt #: 434 total cpu time spent up to now is 54.0 secs Computing kpt #: 435 total cpu time spent up to now is 54.1 secs Computing kpt #: 436 total cpu time spent up to now is 54.2 secs Computing kpt #: 437 total cpu time spent up to now is 54.3 secs Computing kpt #: 438 total cpu time spent up to now is 54.5 secs Computing kpt #: 439 total cpu time spent up to now is 54.6 secs Computing kpt #: 440 total cpu time spent up to now is 54.7 secs Computing kpt #: 441 total cpu time spent up to now is 54.8 secs Computing kpt #: 442 total cpu time spent up to now is 54.9 secs Computing kpt #: 443 total cpu time spent up to now is 55.1 secs Computing kpt #: 444 total cpu time spent up to now is 55.2 secs ethr = 5.00E-08, avg # of iterations = 13.8 total cpu time spent up to now is 55.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1253 PWs) bands (ev): 0.1697 0.1697 8.7669 8.7669 8.8223 8.8223 10.1566 10.1566 11.4102 11.4102 11.4424 11.4424 11.4721 11.4721 12.8371 12.8371 12.8944 12.8944 13.8279 13.8279 13.8956 13.8956 14.5869 14.5869 16.7196 16.7196 16.7245 16.7245 k = 0.0111 0.0064-0.0000 ( 1259 PWs) bands (ev): 0.1709 0.1709 8.7642 8.7642 8.8199 8.8199 10.1583 10.1583 11.4060 11.4060 11.4411 11.4411 11.4754 11.4754 12.8371 12.8371 12.8943 12.8943 13.8279 13.8279 13.8955 13.8955 14.5906 14.5906 16.6630 16.6630 16.6749 16.6749 k = 0.0222 0.0128-0.0000 ( 1255 PWs) bands (ev): 0.1746 0.1746 8.7547 8.7547 8.8151 8.8151 10.1635 10.1635 11.3948 11.3948 11.4390 11.4390 11.4831 11.4831 12.8370 12.8370 12.8942 12.8942 13.8277 13.8277 13.8952 13.8952 14.6017 14.6017 16.5531 16.5531 16.5715 16.5715 k = 0.0333 0.0192-0.0000 ( 1255 PWs) bands (ev): 0.1807 0.1807 8.7345 8.7345 8.8118 8.8118 10.1719 10.1719 11.3785 11.3785 11.4365 11.4365 11.4920 11.4920 12.8366 12.8366 12.8937 12.8937 13.8274 13.8274 13.8948 13.8948 14.6198 14.6198 16.4317 16.4317 16.4533 16.4533 k = 0.0444 0.0257-0.0000 ( 1255 PWs) bands (ev): 0.1892 0.1892 8.7022 8.7022 8.8122 8.8122 10.1831 10.1831 11.3588 11.3588 11.4336 11.4336 11.5009 11.5009 12.8361 12.8361 12.8930 12.8930 13.8267 13.8267 13.8943 13.8943 14.6444 14.6444 16.3084 16.3084 16.3317 16.3317 k = 0.0556 0.0321-0.0000 ( 1259 PWs) bands (ev): 0.2001 0.2001 8.6589 8.6589 8.8156 8.8156 10.1967 10.1967 11.3361 11.3361 11.4301 11.4301 11.5090 11.5090 12.8353 12.8353 12.8923 12.8923 13.8257 13.8257 13.8939 13.8939 14.6747 14.6747 16.1860 16.1860 16.2104 16.2104 k = 0.0667 0.0385-0.0000 ( 1259 PWs) bands (ev): 0.2134 0.2134 8.6066 8.6066 8.8212 8.8212 10.2121 10.2121 11.3108 11.3108 11.4261 11.4261 11.5165 11.5165 12.8343 12.8343 12.8914 12.8914 13.8241 13.8241 13.8938 13.8938 14.7094 14.7094 16.0656 16.0656 16.0922 16.0922 k = 0.0778 0.0449-0.0000 ( 1255 PWs) bands (ev): 0.2291 0.2291 8.5464 8.5464 8.8286 8.8286 10.2292 10.2292 11.2829 11.2829 11.4217 11.4217 11.5230 11.5230 12.8329 12.8329 12.8906 12.8906 13.8218 13.8218 13.8942 13.8942 14.7469 14.7469 15.9470 15.9470 15.9797 15.9797 k = 0.0889 0.0513-0.0000 ( 1257 PWs) bands (ev): 0.2471 0.2471 8.4794 8.4794 8.8376 8.8376 10.2472 10.2472 11.2523 11.2523 11.4164 11.4164 11.5284 11.5284 12.8312 12.8312 12.8899 12.8899 13.8187 13.8187 13.8951 13.8951 14.7848 14.7848 15.8297 15.8297 15.8760 15.8760 k = 0.1000 0.0577-0.0000 ( 1257 PWs) bands (ev): 0.2673 0.2673 8.4067 8.4067 8.8479 8.8479 10.2661 10.2661 11.2190 11.2190 11.4106 11.4106 11.5327 11.5327 12.8291 12.8291 12.8892 12.8892 13.8148 13.8148 13.8965 13.8965 14.8200 14.8200 15.7136 15.7136 15.7846 15.7846 k = 0.1111 0.0642-0.0000 ( 1257 PWs) bands (ev): 0.2899 0.2899 8.3289 8.3289 8.8595 8.8595 10.2854 10.2854 11.1831 11.1831 11.4042 11.4042 11.5359 11.5359 12.8266 12.8266 12.8887 12.8887 13.8100 13.8100 13.8987 13.8987 14.8480 14.8480 15.5991 15.5991 15.7093 15.7093 k = 0.1222 0.0706-0.0000 ( 1259 PWs) bands (ev): 0.3146 0.3146 8.2468 8.2468 8.8723 8.8723 10.3051 10.3051 11.1446 11.1446 11.3972 11.3972 11.5381 11.5381 12.8237 12.8237 12.8884 12.8884 13.8042 13.8042 13.9014 13.9014 14.8634 14.8634 15.4863 15.4863 15.6550 15.6550 k = 0.1333 0.0770-0.0000 ( 1254 PWs) bands (ev): 0.3415 0.3415 8.1611 8.1611 8.8863 8.8863 10.3252 10.3252 11.1034 11.1034 11.3897 11.3897 11.5392 11.5392 12.8204 12.8204 12.8884 12.8884 13.7980 13.7980 13.9048 13.9048 14.8614 14.8614 15.3755 15.3755 15.6260 15.6260 k = 0.1444 0.0834-0.0000 ( 1252 PWs) bands (ev): 0.3705 0.3705 8.0724 8.0724 8.9014 8.9014 10.3453 10.3453 11.0596 11.0596 11.3818 11.3818 11.5391 11.5391 12.8166 12.8166 12.8883 12.8883 13.7911 13.7911 13.9086 13.9086 14.8399 14.8399 15.2669 15.2669 15.6238 15.6238 k = 0.1556 0.0898-0.0000 ( 1252 PWs) bands (ev): 0.4015 0.4015 7.9810 7.9810 8.9175 8.9175 10.3656 10.3656 11.0132 11.0132 11.3734 11.3734 11.5380 11.5380 12.8123 12.8123 12.8884 12.8884 13.7836 13.7836 13.9129 13.9129 14.8009 14.8009 15.1604 15.1604 15.6455 15.6455 k = 0.1667 0.0962-0.0000 ( 1254 PWs) bands (ev): 0.4345 0.4345 7.8876 7.8876 8.9347 8.9347 10.3855 10.3855 10.9644 10.9644 11.3647 11.3647 11.5358 11.5358 12.8078 12.8078 12.8885 12.8885 13.7758 13.7758 13.9176 13.9176 14.7493 14.7493 15.0561 15.0561 15.6859 15.6859 k = 0.1778 0.1026-0.0000 ( 1254 PWs) bands (ev): 0.4694 0.4694 7.7926 7.7926 8.9527 8.9527 10.4059 10.4059 10.9133 10.9133 11.3556 11.3556 11.5324 11.5324 12.8029 12.8029 12.8887 12.8887 13.7677 13.7677 13.9225 13.9225 14.6901 14.6901 14.9541 14.9541 15.7391 15.7391 k = 0.1889 0.1091-0.0000 ( 1258 PWs) bands (ev): 0.5060 0.5060 7.6964 7.6964 8.9716 8.9716 10.4263 10.4263 10.8602 10.8602 11.3462 11.3462 11.5281 11.5281 12.7978 12.7978 12.8889 12.8889 13.7592 13.7592 13.9276 13.9276 14.6273 14.6273 14.8544 14.8544 15.8007 15.8007 k = 0.2000 0.1155-0.0000 ( 1258 PWs) bands (ev): 0.5444 0.5444 7.5993 7.5993 8.9913 8.9913 10.4468 10.4468 10.8051 10.8051 11.3366 11.3366 11.5227 11.5227 12.7924 12.7924 12.8891 12.8891 13.7508 13.7508 13.9330 13.9330 14.5635 14.5635 14.7571 14.7571 15.8671 15.8671 k = 0.2111 0.1219-0.0000 ( 1258 PWs) bands (ev): 0.5843 0.5843 7.5016 7.5016 9.0117 9.0117 10.4674 10.4674 10.7484 10.7484 11.3268 11.3268 11.5163 11.5163 12.7869 12.7869 12.8892 12.8892 13.7424 13.7424 13.9385 13.9385 14.5005 14.5005 14.6622 14.6622 15.9361 15.9361 k = 0.2222 0.1283-0.0000 ( 1256 PWs) bands (ev): 0.6257 0.6257 7.4038 7.4038 9.0328 9.0328 10.4881 10.4881 10.6904 10.6904 11.3168 11.3168 11.5090 11.5090 12.7813 12.7813 12.8893 12.8893 13.7341 13.7341 13.9441 13.9441 14.4394 14.4394 14.5698 14.5698 16.0057 16.0057 k = 0.2333 0.1347-0.0000 ( 1258 PWs) bands (ev): 0.6685 0.6685 7.3060 7.3060 9.0544 9.0544 10.5089 10.5089 10.6314 10.6314 11.3068 11.3068 11.5007 11.5007 12.7756 12.7756 12.8892 12.8892 13.7258 13.7258 13.9498 13.9498 14.3807 14.3807 14.4800 14.4800 16.0748 16.0748 k = 0.2444 0.1411-0.0000 ( 1258 PWs) bands (ev): 0.7125 0.7125 7.2085 7.2085 9.0765 9.0765 10.5298 10.5298 10.5715 10.5715 11.2967 11.2967 11.4916 11.4916 12.7698 12.7698 12.8889 12.8889 13.7177 13.7177 13.9554 13.9554 14.3250 14.3250 14.3931 14.3931 16.1424 16.1424 k = 0.2556 0.1475-0.0000 ( 1256 PWs) bands (ev): 0.7575 0.7575 7.1118 7.1118 9.0991 9.0991 10.5113 10.5113 10.5508 10.5508 11.2867 11.2867 11.4817 11.4817 12.7641 12.7641 12.8885 12.8885 13.7099 13.7099 13.9609 13.9609 14.2717 14.2717 14.3097 14.3097 16.2078 16.2078 k = 0.2667 0.1540-0.0000 ( 1256 PWs) bands (ev): 0.8035 0.8035 7.0159 7.0159 9.1220 9.1220 10.4510 10.4510 10.5719 10.5719 11.2767 11.2767 11.4709 11.4709 12.7584 12.7584 12.8880 12.8880 13.7023 13.7023 13.9664 13.9664 14.2151 14.2151 14.2360 14.2360 16.2704 16.2704 k = 0.2778 0.1604-0.0000 ( 1256 PWs) bands (ev): 0.8501 0.8501 6.9212 6.9212 9.1450 9.1450 10.3910 10.3910 10.5931 10.5931 11.2667 11.2667 11.4593 11.4593 12.7527 12.7527 12.8872 12.8872 13.6949 13.6949 13.9716 13.9716 14.1425 14.1425 14.1844 14.1844 16.3298 16.3298 k = 0.2889 0.1668-0.0000 ( 1256 PWs) bands (ev): 0.8973 0.8973 6.8280 6.8280 9.1681 9.1681 10.3316 10.3316 10.6143 10.6143 11.2570 11.2570 11.4470 11.4470 12.7472 12.7472 12.8863 12.8863 13.6879 13.6879 13.9763 13.9763 14.0676 14.0676 14.1419 14.1419 16.3859 16.3859 k = 0.3000 0.1732-0.0000 ( 1256 PWs) bands (ev): 0.9448 0.9448 6.7366 6.7366 9.1913 9.1913 10.2732 10.2732 10.6356 10.6356 11.2474 11.2474 11.4341 11.4341 12.7417 12.7417 12.8852 12.8852 13.6812 13.6812 13.9791 13.9791 13.9963 13.9963 14.1039 14.1039 16.4385 16.4385 k = 0.3111 0.1796-0.0000 ( 1256 PWs) bands (ev): 0.9924 0.9924 6.6472 6.6472 9.2142 9.2142 10.2160 10.2160 10.6570 10.6570 11.2381 11.2381 11.4205 11.4205 12.7364 12.7364 12.8840 12.8840 13.6746 13.6746 13.9241 13.9241 13.9848 13.9848 14.0701 14.0701 16.4875 16.4875 k = 0.3222 0.1860-0.0000 ( 1262 PWs) bands (ev): 1.0398 1.0398 6.5601 6.5601 9.2369 9.2369 10.1602 10.1602 10.6784 10.6784 11.2291 11.2291 11.4063 11.4063 12.7313 12.7313 12.8826 12.8826 13.6680 13.6680 13.8576 13.8576 13.9853 13.9853 14.0418 14.0418 16.5328 16.5328 k = 0.3333 0.1925-0.0000 ( 1262 PWs) bands (ev): 1.0868 1.0868 6.4756 6.4756 9.2592 9.2592 10.1066 10.1066 10.6999 10.6999 11.2204 11.2204 11.3916 11.3916 12.7264 12.7264 12.8809 12.8809 13.6610 13.6610 13.7955 13.7955 13.9791 13.9791 14.0230 14.0230 16.5746 16.5746 k = 0.3444 0.1989-0.0000 ( 1258 PWs) bands (ev): 1.1331 1.1331 6.3942 6.3942 9.2810 9.2810 10.0551 10.0551 10.7213 10.7213 11.2122 11.2122 11.3764 11.3764 12.7217 12.7217 12.8794 12.8794 13.6518 13.6518 13.7391 13.7391 13.9631 13.9631 14.0167 14.0167 16.6129 16.6129 k = 0.3556 0.2053-0.0000 ( 1258 PWs) bands (ev): 1.1784 1.1784 6.3160 6.3160 9.3021 9.3021 10.0060 10.0060 10.7426 10.7426 11.2043 11.2043 11.3608 11.3608 12.7172 12.7172 12.8777 12.8777 13.6345 13.6345 13.6947 13.6947 13.9429 13.9429 14.0169 14.0169 16.6478 16.6478 k = 0.3667 0.2117-0.0000 ( 1258 PWs) bands (ev): 1.2224 1.2224 6.2415 6.2415 9.3224 9.3224 9.9596 9.9596 10.7637 10.7637 11.1969 11.1969 11.3449 11.3449 12.7130 12.7130 12.8760 12.8760 13.6001 13.6001 13.6713 13.6713 13.9227 13.9227 14.0192 14.0192 16.6794 16.6794 k = 0.3778 0.2181-0.0000 ( 1262 PWs) bands (ev): 1.2647 1.2647 6.1710 6.1710 9.3418 9.3418 9.9161 9.9161 10.7846 10.7846 11.1899 11.1899 11.3287 11.3287 12.7089 12.7089 12.8742 12.8742 13.5562 13.5562 13.6612 13.6612 13.9040 13.9040 14.0220 14.0220 16.7080 16.7080 k = 0.3889 0.2245-0.0000 ( 1262 PWs) bands (ev): 1.3050 1.3050 6.1048 6.1048 9.3601 9.3601 9.8757 9.8757 10.8053 10.8053 11.1835 11.1835 11.3124 11.3124 12.7053 12.7053 12.8724 12.8724 13.5124 13.5124 13.6556 13.6556 13.8871 13.8871 14.0250 14.0250 16.7335 16.7335 k = 0.4000 0.2309-0.0000 ( 1262 PWs) bands (ev): 1.3429 1.3429 6.0435 6.0435 9.3771 9.3771 9.8387 9.8387 10.8255 10.8255 11.1776 11.1776 11.2960 11.2960 12.7019 12.7019 12.8707 12.8707 13.4713 13.4713 13.6516 13.6516 13.8719 13.8719 14.0279 14.0279 16.7561 16.7561 k = 0.4111 0.2374-0.0000 ( 1264 PWs) bands (ev): 1.3781 1.3781 5.9872 5.9872 9.3928 9.3928 9.8050 9.8050 10.8451 10.8451 11.1723 11.1723 11.2797 11.2797 12.6989 12.6989 12.8691 12.8691 13.4336 13.4336 13.6485 13.6485 13.8586 13.8586 14.0306 14.0306 16.7760 16.7760 k = 0.4222 0.2438-0.0000 ( 1268 PWs) bands (ev): 1.4103 1.4103 5.9365 5.9365 9.4070 9.4070 9.7751 9.7751 10.8639 10.8639 11.1676 11.1676 11.2638 11.2638 12.6961 12.6961 12.8676 12.8676 13.3998 13.3998 13.6461 13.6461 13.8470 13.8470 14.0328 14.0328 16.7932 16.7932 k = 0.4333 0.2502-0.0000 ( 1274 PWs) bands (ev): 1.4389 1.4389 5.8917 5.8917 9.4195 9.4195 9.7488 9.7488 10.8817 10.8817 11.1633 11.1633 11.2484 11.2484 12.6937 12.6937 12.8662 12.8662 13.3701 13.3701 13.6441 13.6441 13.8369 13.8369 14.0349 14.0349 16.8079 16.8079 k = 0.4444 0.2566-0.0000 ( 1268 PWs) bands (ev): 1.4639 1.4639 5.8531 5.8531 9.4304 9.4304 9.7264 9.7264 10.8983 10.8983 11.1600 11.1600 11.2341 11.2341 12.6917 12.6917 12.8650 12.8650 13.3449 13.3449 13.6425 13.6425 13.8288 13.8288 14.0368 14.0368 16.8202 16.8202 k = 0.4556 0.2630-0.0000 ( 1268 PWs) bands (ev): 1.4847 1.4847 5.8210 5.8210 9.4394 9.4394 9.7080 9.7080 10.9131 10.9131 11.1571 11.1571 11.2210 11.2210 12.6900 12.6900 12.8640 12.8640 13.3240 13.3240 13.6413 13.6413 13.8221 13.8221 14.0384 14.0384 16.8302 16.8302 k = 0.4667 0.2694-0.0000 ( 1270 PWs) bands (ev): 1.5013 1.5013 5.7958 5.7958 9.4465 9.4465 9.6936 9.6936 10.9257 10.9257 11.1549 11.1549 11.2098 11.2098 12.6887 12.6887 12.8631 12.8631 13.3077 13.3077 13.6405 13.6405 13.8170 13.8170 14.0394 14.0394 16.8379 16.8379 k = 0.4778 0.2758-0.0000 ( 1274 PWs) bands (ev): 1.5132 1.5132 5.7775 5.7775 9.4516 9.4516 9.6832 9.6832 10.9353 10.9353 11.1534 11.1534 11.2009 11.2009 12.6877 12.6877 12.8626 12.8626 13.2958 13.2958 13.6397 13.6397 13.8133 13.8133 14.0402 14.0402 16.8433 16.8433 k = 0.4889 0.2823-0.0000 ( 1278 PWs) bands (ev): 1.5205 1.5205 5.7666 5.7666 9.4547 9.4547 9.6770 9.6770 10.9414 10.9414 11.1524 11.1524 11.1953 11.1953 12.6871 12.6871 12.8620 12.8620 13.2888 13.2888 13.6392 13.6392 13.8111 13.8111 14.0407 14.0407 16.8465 16.8465 k = 0.5000 0.2887-0.0000 ( 1278 PWs) bands (ev): 1.5229 1.5229 5.7629 5.7629 9.4557 9.4557 9.6749 9.6749 10.9435 10.9435 11.1521 11.1521 11.1933 11.1933 12.6869 12.6869 12.8619 12.8619 13.2864 13.2864 13.6391 13.6391 13.8103 13.8103 14.0409 14.0409 16.8476 16.8476 k = 0.5000 0.2887-0.0000 ( 1278 PWs) bands (ev): 1.5229 1.5229 5.7629 5.7629 9.4557 9.4557 9.6749 9.6749 10.9435 10.9435 11.1521 11.1521 11.1933 11.1933 12.6869 12.6869 12.8619 12.8619 13.2864 13.2864 13.6391 13.6391 13.8103 13.8103 14.0409 14.0409 16.8476 16.8476 k = 0.4936 0.2998-0.0000 ( 1278 PWs) bands (ev): 1.5234 1.5234 5.7645 5.7645 9.4174 9.4174 9.7108 9.7108 10.9439 10.9439 11.1449 11.1449 11.1993 11.1993 12.6852 12.6852 12.8640 12.8640 13.2798 13.2798 13.6381 13.6381 13.8151 13.8151 14.0413 14.0413 16.8556 16.8556 k = 0.4872 0.3109-0.0000 ( 1270 PWs) bands (ev): 1.5249 1.5249 5.7694 5.7694 9.3368 9.3368 9.7841 9.7841 10.9449 10.9449 11.1294 11.1294 11.2113 11.2113 12.6802 12.6802 12.8704 12.8704 13.2606 13.2606 13.6352 13.6352 13.8288 13.8288 14.0428 14.0428 16.8796 16.8796 k = 0.4808 0.3220-0.0000 ( 1270 PWs) bands (ev): 1.5273 1.5273 5.7774 5.7774 9.2421 9.2421 9.8668 9.8668 10.9466 10.9466 11.1108 11.1108 11.2240 11.2240 12.6724 12.6724 12.8800 12.8800 13.2305 13.2305 13.6307 13.6307 13.8493 13.8493 14.0445 14.0445 16.9193 16.9193 k = 0.4744 0.3331-0.0000 ( 1268 PWs) bands (ev): 1.5306 1.5306 5.7887 5.7887 9.1411 9.1411 9.9514 9.9514 10.9489 10.9489 11.0907 11.0907 11.2360 11.2360 12.6627 12.6627 12.8924 12.8924 13.1916 13.1916 13.6247 13.6247 13.8745 13.8745 14.0469 14.0469 16.9745 16.9745 k = 0.4679 0.3442-0.0000 ( 1264 PWs) bands (ev): 1.5349 1.5349 5.8033 5.8033 9.0361 9.0361 10.0356 10.0356 10.9520 10.9521 11.0698 11.0698 11.2467 11.2467 12.6517 12.6517 12.9067 12.9067 13.1457 13.1457 13.6175 13.6175 13.9027 13.9027 14.0499 14.0499 17.0447 17.0447 k = 0.4615 0.3553-0.0000 ( 1260 PWs) bands (ev): 1.5400 1.5400 5.8210 5.8210 8.9282 8.9282 10.1188 10.1188 10.9557 10.9557 11.0486 11.0486 11.2559 11.2559 12.6399 12.6399 12.9228 12.9228 13.0944 13.0944 13.6091 13.6091 13.9322 13.9322 14.0534 14.0534 17.1294 17.1294 k = 0.4551 0.3664-0.0000 ( 1260 PWs) bands (ev): 1.5459 1.5459 5.8419 5.8419 8.8180 8.8180 10.2005 10.2005 10.9599 10.9599 11.0273 11.0273 11.2637 11.2637 12.6277 12.6277 12.9394 12.9394 13.0388 13.0388 13.5997 13.5997 13.9620 13.9620 14.0573 14.0573 17.2281 17.2281 k = 0.4487 0.3775-0.0000 ( 1260 PWs) bands (ev): 1.5526 1.5526 5.8660 5.8660 8.7059 8.7059 10.2809 10.2809 10.9647 10.9647 11.0062 11.0062 11.2700 11.2700 12.6154 12.6154 12.9558 12.9558 12.9810 12.9810 13.5891 13.5891 13.9913 13.9913 14.0618 14.0618 17.3401 17.3401 k = 0.4423 0.3886-0.0000 ( 1264 PWs) bands (ev): 1.5601 1.5601 5.8933 5.8933 8.5923 8.5923 10.3598 10.3598 10.9696 10.9696 10.9859 10.9859 11.2748 11.2748 12.6029 12.6029 12.9161 12.9161 12.9768 12.9768 13.5775 13.5775 14.0192 14.0192 14.0669 14.0669 17.4646 17.4646 k = 0.4359 0.3997-0.0000 ( 1264 PWs) bands (ev): 1.5682 1.5682 5.9237 5.9237 8.4777 8.4777 10.4376 10.4376 10.9636 10.9636 10.9778 10.9778 11.2783 11.2783 12.5906 12.5906 12.8522 12.8522 12.9952 12.9952 13.5651 13.5651 14.0445 14.0445 14.0737 14.0737 17.6012 17.6012 k = 0.4295 0.4108-0.0000 ( 1260 PWs) bands (ev): 1.5768 1.5768 5.9573 5.9573 8.3624 8.3624 10.5142 10.5142 10.9448 10.9448 10.9839 10.9839 11.2805 11.2805 12.5782 12.5782 12.7863 12.7863 13.0144 13.0144 13.5519 13.5519 14.0631 14.0631 14.0859 14.0859 17.7491 17.7491 k = 0.4231 0.4219-0.0000 ( 1260 PWs) bands (ev): 1.5860 1.5860 5.9939 5.9939 8.2468 8.2468 10.5896 10.5896 10.9264 10.9264 10.9911 10.9911 11.2814 11.2814 12.5652 12.5652 12.7194 12.7194 13.0337 13.0337 13.5381 13.5381 14.0726 14.0726 14.1054 14.1054 17.9075 17.9075 k = 0.4167 0.4330-0.0000 ( 1258 PWs) bands (ev): 1.5955 1.5955 6.0336 6.0336 8.1312 8.1312 10.6639 10.6639 10.9090 10.9090 10.9990 10.9990 11.2813 11.2813 12.5503 12.5503 12.6537 12.6537 13.0533 13.0533 13.5235 13.5235 14.0786 14.0786 14.1267 14.1267 18.0757 18.0757 k = 0.4103 0.4441-0.0000 ( 1262 PWs) bands (ev): 1.6054 1.6054 6.0764 6.0764 8.0161 8.0161 10.7368 10.7368 10.8927 10.8927 11.0074 11.0074 11.2804 11.2804 12.5261 12.5261 12.5962 12.5962 13.0728 13.0728 13.5084 13.5084 14.0834 14.0834 14.1470 14.1470 18.2530 18.2530 k = 0.4038 0.4552-0.0000 ( 1260 PWs) bands (ev): 1.6153 1.6153 6.1222 6.1222 7.9018 7.9018 10.8076 10.8076 10.8786 10.8786 11.0164 11.0164 11.2789 11.2789 12.4784 12.4784 12.5622 12.5622 13.0924 13.0924 13.4929 13.4929 14.0877 14.0877 14.1660 14.1660 18.4387 18.4387 k = 0.3974 0.4663-0.0000 ( 1256 PWs) bands (ev): 1.6253 1.6253 6.1709 6.1709 7.7888 7.7888 10.8559 10.8559 10.8868 10.8868 11.0261 11.0261 11.2772 11.2772 12.4128 12.4128 12.5459 12.5459 13.1120 13.1120 13.4771 13.4771 14.0917 14.0917 14.1832 14.1832 18.6321 18.6321 k = 0.3910 0.4774-0.0000 ( 1254 PWs) bands (ev): 1.6352 1.6352 6.2226 6.2226 7.6774 7.6774 10.8480 10.8480 10.9503 10.9503 11.0366 11.0366 11.2762 11.2762 12.3413 12.3413 12.5351 12.5351 13.1314 13.1314 13.4609 13.4609 14.0954 14.0954 14.1986 14.1986 18.8322 18.8322 k = 0.3846 0.4885-0.0000 ( 1250 PWs) bands (ev): 1.6449 1.6449 6.2772 6.2772 7.5680 7.5680 10.8373 10.8373 11.0129 11.0129 11.0492 11.0492 11.2773 11.2773 12.2677 12.2677 12.5268 12.5268 13.1506 13.1506 13.4445 13.4445 14.0987 14.0987 14.2122 14.2122 19.0383 19.0383 k = 0.3782 0.4996-0.0000 ( 1250 PWs) bands (ev): 1.6541 1.6541 6.3346 6.3346 7.4610 7.4610 10.8276 10.8276 11.0515 11.0515 11.0799 11.0799 11.2838 11.2838 12.1931 12.1931 12.5198 12.5198 13.1696 13.1696 13.4278 13.4278 14.1017 14.1017 14.2239 14.2239 19.2490 19.2490 k = 0.3718 0.5107-0.0000 ( 1258 PWs) bands (ev): 1.6627 1.6627 6.3948 6.3948 7.3569 7.3569 10.8191 10.8191 11.0651 11.0651 11.1234 11.1234 11.3015 11.3015 12.1179 12.1179 12.5138 12.5138 13.1882 13.1882 13.4111 13.4111 14.1042 14.1042 14.2337 14.2337 19.4629 19.4629 k = 0.3654 0.5218-0.0000 ( 1258 PWs) bands (ev): 1.6705 1.6705 6.4577 6.4577 7.2559 7.2559 10.8119 10.8119 11.0771 11.0771 11.1508 11.1508 11.3369 11.3369 12.0426 12.0426 12.5089 12.5089 13.2064 13.2064 13.3945 13.3945 14.1064 14.1064 14.2418 14.2418 19.6775 19.6775 k = 0.3590 0.5329-0.0000 ( 1254 PWs) bands (ev): 1.6774 1.6774 6.5232 6.5232 7.1586 7.1586 10.8062 10.8062 11.0889 11.0889 11.1615 11.1615 11.3885 11.3885 11.9676 11.9676 12.5050 12.5050 13.2242 13.2242 13.3782 13.3782 14.1084 14.1084 14.2483 14.2483 19.8890 19.8890 k = 0.3526 0.5440-0.0000 ( 1252 PWs) bands (ev): 1.6831 1.6831 6.5913 6.5913 7.0653 7.0653 10.8018 10.8018 11.1007 11.1007 11.1618 11.1618 11.4496 11.4496 11.8934 11.8934 12.5020 12.5020 13.2409 13.2409 13.3624 13.3624 14.1098 14.1098 14.2532 14.2532 20.0900 20.0900 k = 0.3462 0.5551-0.0000 ( 1252 PWs) bands (ev): 1.6874 1.6874 6.6618 6.6618 6.9765 6.9765 10.7987 10.7987 11.1123 11.1123 11.1568 11.1568 11.5147 11.5147 11.8206 11.8206 12.4998 12.4998 13.2561 13.2561 13.3479 13.3479 14.1109 14.1109 14.2566 14.2566 20.2657 20.2657 k = 0.3397 0.5662-0.0000 ( 1252 PWs) bands (ev): 1.6901 1.6901 6.7341 6.7341 6.8930 6.8930 10.7969 10.7969 11.1233 11.1233 11.1491 11.1491 11.5785 11.5785 11.7527 11.7527 12.4985 12.4985 13.2679 13.2679 13.3365 13.3365 14.1115 14.1115 14.2585 14.2585 20.3899 20.3899 k = 0.3333 0.5774-0.0000 ( 1254 PWs) bands (ev): 1.6911 1.6911 6.7943 6.7943 6.8291 6.8291 10.7962 10.7962 11.1300 11.1300 11.1434 11.1434 11.6172 11.6172 11.7127 11.7127 12.4980 12.4980 13.2727 13.2727 13.3317 13.3317 14.1117 14.1117 14.2591 14.2591 20.4335 20.4335 k = 0.3333 0.5774-0.0000 ( 1254 PWs) bands (ev): 1.6911 1.6911 6.7943 6.7943 6.8291 6.8291 10.7962 10.7962 11.1300 11.1300 11.1434 11.1434 11.6172 11.6172 11.7127 11.7127 12.4980 12.4980 13.2727 13.2727 13.3317 13.3317 14.1117 14.1117 14.2591 14.2591 20.4335 20.4335 k = 0.3269 0.5662-0.0000 ( 1254 PWs) bands (ev): 1.6901 1.6901 6.7357 6.7357 6.8916 6.8916 10.7968 10.7968 11.1230 11.1230 11.1494 11.1494 11.5786 11.5786 11.7527 11.7527 12.4984 12.4984 13.2679 13.2679 13.3363 13.3363 14.1115 14.1115 14.2585 14.2585 20.3970 20.3970 k = 0.3205 0.5551-0.0000 ( 1250 PWs) bands (ev): 1.6869 1.6869 6.6683 6.6683 6.9707 6.9707 10.7986 10.7986 11.1109 11.1109 11.1582 11.1582 11.5154 11.5154 11.8205 11.8205 12.4999 12.4999 13.2568 13.2568 13.3473 13.3473 14.1109 14.1109 14.2569 14.2569 20.3087 20.3087 k = 0.3141 0.5440-0.0000 ( 1250 PWs) bands (ev): 1.6813 1.6813 6.6062 6.6062 7.0525 7.0525 10.8013 10.8013 11.0976 11.0976 11.1652 11.1652 11.4515 11.4515 11.8932 11.8932 12.5020 12.5020 13.2427 13.2427 13.3609 13.3609 14.1098 14.1098 14.2542 14.2542 20.1930 20.1930 k = 0.3077 0.5329-0.0000 ( 1254 PWs) bands (ev): 1.6732 1.6732 6.5502 6.5502 7.1364 7.1364 10.8048 10.8048 11.0836 11.0836 11.1673 11.1673 11.3925 11.3925 11.9676 11.9676 12.5050 12.5050 13.2276 13.2276 13.3754 13.3754 14.1084 14.1084 14.2506 14.2506 20.0633 20.0633 k = 0.3013 0.5218-0.0000 ( 1256 PWs) bands (ev): 1.6625 1.6625 6.5006 6.5006 7.2221 7.2221 10.8091 10.8091 11.0692 11.0692 11.1596 11.1596 11.3442 11.3442 12.0433 12.0433 12.5088 12.5088 13.2119 13.2119 13.3901 13.3901 14.1064 14.1064 14.2465 14.2465 19.9262 19.9262 k = 0.2949 0.5107-0.0000 ( 1256 PWs) bands (ev): 1.6490 1.6490 6.4576 6.4576 7.3095 7.3095 10.8141 10.8141 11.0545 11.0545 11.1353 11.1353 11.3139 11.3139 12.1198 12.1198 12.5135 12.5135 13.1963 13.1963 13.4048 13.4048 14.1041 14.1041 14.2418 14.2418 19.7851 19.7851 k = 0.2885 0.4996-0.0000 ( 1256 PWs) bands (ev): 1.6327 1.6327 6.4215 6.4215 7.3983 7.3983 10.8193 10.8193 11.0395 11.0395 11.0941 11.0941 11.3024 11.3024 12.1969 12.1969 12.5191 12.5191 13.1806 13.1806 13.4195 13.4195 14.1014 14.1014 14.2367 14.2367 19.6417 19.6417 k = 0.2821 0.4885-0.0000 ( 1256 PWs) bands (ev): 1.6134 1.6134 6.3922 6.3922 7.4885 7.4885 10.8245 10.8245 11.0216 11.0216 11.0459 11.0459 11.3029 11.3029 12.2743 12.2743 12.5259 12.5259 13.1652 13.1652 13.4339 13.4339 14.0984 14.0984 14.2314 14.2314 19.4973 19.4973 k = 0.2756 0.4774-0.0000 ( 1256 PWs) bands (ev): 1.5913 1.5913 6.3700 6.3700 7.5796 7.5796 10.8291 10.8291 10.9792 10.9792 11.0189 11.0189 11.3098 11.3098 12.3514 12.3514 12.5341 12.5341 13.1499 13.1499 13.4481 13.4481 14.0950 14.0950 14.2259 14.2259 19.3524 19.3524 k = 0.2692 0.4663-0.0000 ( 1256 PWs) bands (ev): 1.5662 1.5662 6.3548 6.3548 7.6716 7.6716 10.8326 10.8326 10.9230 10.9230 11.0063 11.0063 11.3194 11.3194 12.4268 12.4268 12.5454 12.5454 13.1350 13.1350 13.4623 13.4623 14.0912 14.0912 14.2205 14.2205 19.2075 19.2075 k = 0.2628 0.4552-0.0000 ( 1254 PWs) bands (ev): 1.5383 1.5383 6.3466 6.3466 7.7640 7.7640 10.8341 10.8341 10.8662 10.8662 10.9975 10.9975 11.3306 11.3306 12.4938 12.4938 12.5664 12.5664 13.1204 13.1204 13.4760 13.4760 14.0871 14.0871 14.2156 14.2156 19.0628 19.0628 k = 0.2564 0.4441-0.0000 ( 1258 PWs) bands (ev): 1.5077 1.5077 6.3453 6.3453 7.8567 7.8567 10.8097 10.8097 10.8335 10.8335 10.9922 10.9922 11.3427 11.3427 12.5326 12.5326 12.6166 12.6166 13.1062 13.1062 13.4894 13.4894 14.0826 14.0826 14.2110 14.2110 18.9187 18.9187 k = 0.2500 0.4330-0.0000 ( 1254 PWs) bands (ev): 1.4744 1.4744 6.3509 6.3509 7.9492 7.9492 10.7563 10.7563 10.8288 10.8288 10.9909 10.9909 11.3553 11.3553 12.5500 12.5500 12.6895 12.6895 13.0924 13.0924 13.5027 13.5027 14.0779 14.0779 14.2073 14.2073 18.7752 18.7752 k = 0.2436 0.4219-0.0000 ( 1254 PWs) bands (ev): 1.4387 1.4387 6.3633 6.3633 8.0411 8.0411 10.7051 10.7051 10.8207 10.8207 10.9936 10.9936 11.3680 11.3680 12.5623 12.5623 12.7684 12.7684 13.0791 13.0791 13.5157 13.5157 14.0728 14.0728 14.2045 14.2045 18.6324 18.6324 k = 0.2372 0.4108-0.0000 ( 1254 PWs) bands (ev): 1.4007 1.4007 6.3821 6.3821 8.1320 8.1320 10.6569 10.6569 10.8096 10.8096 10.9998 10.9998 11.3808 11.3808 12.5734 12.5734 12.8494 12.8494 13.0662 13.0662 13.5284 13.5284 14.0675 14.0675 14.2028 14.2028 18.4905 18.4905 k = 0.2308 0.3997-0.0000 ( 1254 PWs) bands (ev): 1.3607 1.3607 6.4073 6.4073 8.2214 8.2214 10.6123 10.6123 10.7960 10.7960 11.0090 11.0090 11.3935 11.3935 12.5844 12.5844 12.9312 12.9312 13.0542 13.0542 13.5410 13.5410 14.0618 14.0618 14.2025 14.2025 18.3495 18.3495 k = 0.2244 0.3886-0.0000 ( 1254 PWs) bands (ev): 1.3188 1.3188 6.4386 6.4386 8.3086 8.3086 10.5717 10.5717 10.7805 10.7805 11.0205 11.0205 11.4061 11.4061 12.5954 12.5954 13.0099 13.0099 13.0467 13.0467 13.5533 13.5533 14.0559 14.0559 14.2039 14.2039 18.2094 18.2094 k = 0.2179 0.3775-0.0000 ( 1254 PWs) bands (ev): 1.2753 1.2753 6.4758 6.4758 8.3930 8.3930 10.5356 10.5356 10.7636 10.7636 11.0337 11.0337 11.4184 11.4184 12.6065 12.6065 13.0261 13.0261 13.1028 13.1028 13.5655 13.5655 14.0498 14.0498 14.2072 14.2072 18.0704 18.0704 k = 0.2115 0.3664-0.0000 ( 1254 PWs) bands (ev): 1.2304 1.2304 6.5186 6.5186 8.4740 8.4740 10.5046 10.5046 10.7457 10.7457 11.0482 11.0482 11.4304 11.4304 12.6178 12.6178 13.0162 13.0162 13.1861 13.1861 13.5776 13.5776 14.0435 14.0435 14.2126 14.2126 17.9324 17.9324 k = 0.2051 0.3553-0.0000 ( 1252 PWs) bands (ev): 1.1844 1.1844 6.5667 6.5667 8.5507 8.5507 10.4793 10.4793 10.7271 10.7271 11.0639 11.0639 11.4420 11.4420 12.6292 12.6292 13.0058 13.0058 13.2712 13.2712 13.5896 13.5896 14.0369 14.0369 14.2205 14.2205 17.7956 17.7956 k = 0.1987 0.3442-0.0000 ( 1252 PWs) bands (ev): 1.1375 1.1375 6.6198 6.6198 8.6224 8.6224 10.4603 10.4603 10.7079 10.7079 11.0803 11.0803 11.4532 11.4532 12.6408 12.6408 12.9956 12.9956 13.3569 13.3569 13.6014 13.6014 14.0303 14.0303 14.2312 14.2312 17.6600 17.6600 k = 0.1923 0.3331-0.0000 ( 1252 PWs) bands (ev): 1.0899 1.0899 6.6777 6.6777 8.6881 8.6881 10.4482 10.4482 10.6884 10.6884 11.0973 11.0973 11.4640 11.4640 12.6523 12.6523 12.9858 12.9858 13.4432 13.4432 13.6132 13.6132 14.0234 14.0234 14.2449 14.2449 17.5257 17.5257 k = 0.1859 0.3220-0.0000 ( 1258 PWs) bands (ev): 1.0419 1.0419 6.7400 6.7400 8.7473 8.7473 10.4435 10.4435 10.6684 10.6684 11.1146 11.1146 11.4741 11.4741 12.6639 12.6639 12.9764 12.9764 13.5296 13.5296 13.6251 13.6251 14.0165 14.0165 14.2618 14.2618 17.3928 17.3928 k = 0.1795 0.3109-0.0000 ( 1254 PWs) bands (ev): 0.9937 0.9937 6.8065 6.8065 8.7992 8.7992 10.4465 10.4465 10.6488 10.6488 11.1323 11.1323 11.4838 11.4838 12.6755 12.6755 12.9676 12.9676 13.6136 13.6136 13.6400 13.6400 14.0096 14.0096 14.2825 14.2825 17.2613 17.2613 k = 0.1731 0.2998-0.0000 ( 1246 PWs) bands (ev): 0.9456 0.9456 6.8769 6.8769 8.8435 8.8435 10.4576 10.4576 10.6286 10.6286 11.1503 11.1503 11.4930 11.4930 12.6870 12.6870 12.9594 12.9594 13.6453 13.6453 13.7078 13.7078 14.0027 14.0027 14.3073 14.3073 17.1315 17.1315 k = 0.1667 0.2887-0.0000 ( 1246 PWs) bands (ev): 0.8977 0.8977 6.9507 6.9507 8.8800 8.8800 10.4763 10.4763 10.6083 10.6083 11.1683 11.1683 11.5015 11.5015 12.6984 12.6984 12.9515 12.9515 13.6575 13.6575 13.7949 13.7949 13.9959 13.9959 14.3362 14.3362 17.0034 17.0034 k = 0.1603 0.2776-0.0000 ( 1246 PWs) bands (ev): 0.8502 0.8502 7.0279 7.0279 8.9087 8.9087 10.5023 10.5023 10.5880 10.5880 11.1862 11.1862 11.5094 11.5094 12.7096 12.7096 12.9441 12.9441 13.6689 13.6689 13.8821 13.8821 13.9901 13.9901 14.3697 14.3697 16.8772 16.8772 k = 0.1538 0.2665-0.0000 ( 1250 PWs) bands (ev): 0.8033 0.8033 7.1079 7.1079 8.9302 8.9302 10.5350 10.5350 10.5677 10.5677 11.2041 11.2041 11.5166 11.5166 12.7206 12.7206 12.9370 12.9370 13.6801 13.6801 13.9587 13.9587 13.9951 13.9951 14.4081 14.4081 16.7532 16.7532 k = 0.1474 0.2554-0.0000 ( 1250 PWs) bands (ev): 0.7573 0.7573 7.1905 7.1905 8.9449 8.9449 10.5471 10.5471 10.5739 10.5739 11.2217 11.2217 11.5231 11.5231 12.7313 12.7313 12.9305 12.9305 13.6912 13.6912 13.9690 13.9690 14.0668 14.0668 14.4517 14.4517 16.6317 16.6317 k = 0.1410 0.2443-0.0000 ( 1250 PWs) bands (ev): 0.7121 0.7121 7.2754 7.2754 8.9536 8.9536 10.5268 10.5268 10.6172 10.6172 11.2391 11.2391 11.5289 11.5289 12.7414 12.7414 12.9245 12.9245 13.7023 13.7023 13.9636 13.9636 14.1542 14.1542 14.5007 14.5007 16.5130 16.5130 k = 0.1346 0.2332-0.0000 ( 1250 PWs) bands (ev): 0.6681 0.6681 7.3622 7.3622 8.9573 8.9573 10.5065 10.5065 10.6643 10.6643 11.2561 11.2561 11.5339 11.5339 12.7514 12.7514 12.9189 12.9189 13.7131 13.7131 13.9571 13.9571 14.2425 14.2425 14.5554 14.5554 16.3976 16.3976 k = 0.1282 0.2221-0.0000 ( 1250 PWs) bands (ev): 0.6253 0.6253 7.4507 7.4507 8.9567 8.9567 10.4862 10.4862 10.7139 10.7139 11.2726 11.2726 11.5383 11.5383 12.7610 12.7610 12.9138 12.9138 13.7236 13.7236 13.9504 13.9504 14.3305 14.3305 14.6160 14.6160 16.2861 16.2861 k = 0.1218 0.2110-0.0000 ( 1250 PWs) bands (ev): 0.5839 0.5839 7.5403 7.5403 8.9526 8.9526 10.4659 10.4659 10.7651 10.7651 11.2886 11.2886 11.5419 11.5419 12.7702 12.7702 12.9092 12.9092 13.7340 13.7340 13.9438 13.9438 14.4172 14.4172 14.6825 14.6825 16.1792 16.1792 k = 0.1154 0.1999-0.0000 ( 1253 PWs) bands (ev): 0.5439 0.5439 7.6308 7.6308 8.9459 8.9459 10.4456 10.4456 10.8168 10.8168 11.3040 11.3040 11.5447 11.5447 12.7788 12.7788 12.9051 12.9051 13.7442 13.7442 13.9374 13.9374 14.5019 14.5019 14.7550 14.7550 16.0782 16.0782 k = 0.1090 0.1887-0.0000 ( 1253 PWs) bands (ev): 0.5056 0.5056 7.7218 7.7218 8.9370 8.9370 10.4254 10.4254 10.8685 10.8685 11.3188 11.3188 11.5468 11.5468 12.7869 12.7869 12.9015 12.9015 13.7541 13.7541 13.9312 13.9312 14.5835 14.5835 14.8335 14.8335 15.9845 15.9845 k = 0.1026 0.1776-0.0000 ( 1253 PWs) bands (ev): 0.4690 0.4690 7.8128 7.8128 8.9267 8.9267 10.4052 10.4052 10.9194 10.9194 11.3328 11.3328 11.5481 11.5481 12.7944 12.7944 12.8984 12.8984 13.7636 13.7636 13.9252 13.9252 14.6602 14.6602 14.9180 14.9180 15.9001 15.9001 k = 0.0962 0.1665-0.0000 ( 1257 PWs) bands (ev): 0.4342 0.4342 7.9034 7.9034 8.9154 8.9154 10.3850 10.3850 10.9689 10.9689 11.3461 11.3461 11.5486 11.5486 12.8012 12.8012 12.8957 12.8957 13.7726 13.7726 13.9196 13.9196 14.7294 14.7294 15.0084 15.0084 15.8281 15.8281 k = 0.0897 0.1554-0.0000 ( 1253 PWs) bands (ev): 0.4012 0.4012 7.9932 7.9932 8.9034 8.9034 10.3649 10.3649 11.0166 11.0166 11.3586 11.3586 11.5483 11.5483 12.8075 12.8075 12.8936 12.8936 13.7814 13.7814 13.9145 13.9145 14.7877 14.7877 15.1045 15.1045 15.7724 15.7724 k = 0.0833 0.1443-0.0000 ( 1255 PWs) bands (ev): 0.3702 0.3702 8.0815 8.0815 8.8913 8.8913 10.3447 10.3447 11.0623 11.0623 11.3702 11.3702 11.5472 11.5472 12.8131 12.8131 12.8920 12.8920 13.7895 13.7895 13.9098 13.9098 14.8308 14.8308 15.2061 15.2061 15.7377 15.7377 k = 0.0769 0.1332-0.0000 ( 1253 PWs) bands (ev): 0.3413 0.3413 8.1679 8.1679 8.8792 8.8792 10.3249 10.3249 11.1055 11.1055 11.3809 11.3809 11.5454 11.5454 12.8180 12.8180 12.8908 12.8908 13.7969 13.7969 13.9056 13.9056 14.8550 14.8550 15.3128 15.3128 15.7282 15.7282 k = 0.0705 0.1221-0.0000 ( 1255 PWs) bands (ev): 0.3144 0.3144 8.2517 8.2517 8.8674 8.8674 10.3049 10.3049 11.1462 11.1462 11.3906 11.3906 11.5426 11.5426 12.8222 12.8222 12.8901 12.8901 13.8038 13.8038 13.9020 13.9020 14.8590 14.8590 15.4244 15.4244 15.7457 15.7457 k = 0.0641 0.1110-0.0000 ( 1253 PWs) bands (ev): 0.2897 0.2897 8.3324 8.3324 8.8563 8.8563 10.2852 10.2852 11.1845 11.1845 11.3995 11.3995 11.5391 11.5391 12.8258 12.8258 12.8898 12.8898 13.8096 13.8096 13.8991 13.8991 14.8452 14.8452 15.5405 15.5405 15.7883 15.7883 k = 0.0577 0.0999-0.0000 ( 1257 PWs) bands (ev): 0.2672 0.2672 8.4091 8.4091 8.8458 8.8458 10.2659 10.2659 11.2200 11.2200 11.4074 11.4074 11.5348 11.5348 12.8287 12.8287 12.8898 12.8898 13.8145 13.8145 13.8968 13.8968 14.8183 14.8183 15.6606 15.6606 15.8517 15.8517 k = 0.0513 0.0888-0.0000 ( 1257 PWs) bands (ev): 0.2470 0.2470 8.4811 8.4811 8.8363 8.8363 10.2471 10.2471 11.2529 11.2529 11.4143 11.4143 11.5297 11.5297 12.8310 12.8310 12.8902 12.8902 13.8186 13.8186 13.8952 13.8952 14.7839 14.7839 15.7842 15.7842 15.9310 15.9310 k = 0.0449 0.0777-0.0000 ( 1255 PWs) bands (ev): 0.2290 0.2290 8.5474 8.5474 8.8279 8.8279 10.2291 10.2291 11.2833 11.2833 11.4204 11.4204 11.5237 11.5237 12.8328 12.8328 12.8908 12.8908 13.8218 13.8218 13.8943 13.8943 14.7464 14.7464 15.9108 15.9108 16.0222 16.0222 k = 0.0385 0.0666-0.0000 ( 1255 PWs) bands (ev): 0.2134 0.2134 8.6072 8.6072 8.8209 8.8209 10.2122 10.2122 11.3111 11.3111 11.4256 11.4256 11.5169 11.5169 12.8342 12.8342 12.8915 12.8915 13.8241 13.8241 13.8939 13.8939 14.7091 14.7091 16.0395 16.0395 16.1224 16.1224 k = 0.0321 0.0555-0.0000 ( 1261 PWs) bands (ev): 0.2001 0.2001 8.6592 8.6592 8.8153 8.8153 10.1966 10.1966 11.3363 11.3363 11.4298 11.4298 11.5093 11.5093 12.8352 12.8352 12.8922 12.8922 13.8257 13.8257 13.8939 13.8939 14.6745 14.6745 16.1694 16.1694 16.2295 16.2295 k = 0.0256 0.0444-0.0000 ( 1261 PWs) bands (ev): 0.1892 0.1892 8.7022 8.7022 8.8120 8.8120 10.1831 10.1831 11.3588 11.3588 11.4334 11.4334 11.5009 11.5009 12.8360 12.8360 12.8930 12.8930 13.8267 13.8267 13.8943 13.8943 14.6443 14.6443 16.2996 16.2996 16.3419 16.3419 k = 0.0192 0.0333-0.0000 ( 1261 PWs) bands (ev): 0.1807 0.1807 8.7344 8.7344 8.8118 8.8118 10.1719 10.1719 11.3785 11.3785 11.4364 11.4364 11.4919 11.4919 12.8365 12.8365 12.8936 12.8936 13.8273 13.8273 13.8947 13.8947 14.6197 14.6197 16.4282 16.4282 16.4575 16.4575 k = 0.0128 0.0222-0.0000 ( 1261 PWs) bands (ev): 0.1746 0.1746 8.7546 8.7546 8.8150 8.8150 10.1635 10.1635 11.3947 11.3947 11.4389 11.4389 11.4830 11.4830 12.8369 12.8369 12.8941 12.8941 13.8277 13.8277 13.8952 13.8952 14.6016 14.6016 16.5523 16.5523 16.5726 16.5726 k = 0.0064 0.0111-0.0000 ( 1253 PWs) bands (ev): 0.1710 0.1710 8.7643 8.7643 8.8200 8.8200 10.1583 10.1583 11.4061 11.4061 11.4412 11.4412 11.4755 11.4755 12.8371 12.8371 12.8944 12.8944 13.8279 13.8279 13.8955 13.8955 14.5906 14.5906 16.6631 16.6631 16.6751 16.6751 k = 0.0000 0.0000 0.0000 ( 1253 PWs) bands (ev): 0.1697 0.1697 8.7669 8.7669 8.8223 8.8223 10.1566 10.1566 11.4102 11.4102 11.4424 11.4424 11.4721 11.4721 12.8371 12.8371 12.8944 12.8944 13.8279 13.8279 13.8956 13.8956 14.5869 14.5869 16.7196 16.7196 16.7245 16.7245 k = 0.0000 0.0000 0.0000 ( 1253 PWs) bands (ev): 0.1697 0.1697 8.7669 8.7669 8.8223 8.8223 10.1566 10.1566 11.4102 11.4102 11.4424 11.4424 11.4721 11.4721 12.8371 12.8371 12.8944 12.8944 13.8279 13.8279 13.8956 13.8956 14.5869 14.5869 16.7196 16.7196 16.7245 16.7245 k = 0.0000 0.0000 0.0127 ( 1253 PWs) bands (ev): 0.1713 0.1713 8.7679 8.7679 8.8233 8.8233 10.1575 10.1575 11.4100 11.4100 11.4440 11.4440 11.4719 11.4719 12.8355 12.8355 12.8926 12.8926 13.8269 13.8269 13.8946 13.8946 14.5878 14.5878 16.7203 16.7203 16.7252 16.7252 k = 0.0000 0.0000 0.0255 ( 1241 PWs) bands (ev): 0.1759 0.1759 8.7710 8.7710 8.8263 8.8263 10.1605 10.1605 11.4095 11.4095 11.4491 11.4491 11.4712 11.4712 12.8308 12.8308 12.8874 12.8874 13.8241 13.8241 13.8915 13.8915 14.5902 14.5902 16.7227 16.7227 16.7272 16.7272 k = 0.0000 0.0000 0.0382 ( 1247 PWs) bands (ev): 0.1835 0.1835 8.7759 8.7759 8.8312 8.8312 10.1646 10.1646 11.4084 11.4084 11.4570 11.4570 11.4702 11.4702 12.8227 12.8227 12.8784 12.8784 13.8192 13.8192 13.8863 13.8863 14.5944 14.5944 16.7263 16.7263 16.7305 16.7305 k = 0.0000 0.0000 0.0509 ( 1265 PWs) bands (ev): 0.1942 0.1942 8.7825 8.7825 8.8376 8.8376 10.1711 10.1711 11.4066 11.4066 11.4639 11.4639 11.4725 11.4725 12.8115 12.8115 12.8659 12.8659 13.8124 13.8124 13.8791 13.8791 14.6001 14.6001 16.7312 16.7312 16.7347 16.7347 k = 0.0000 0.0000 0.0637 ( 1265 PWs) bands (ev): 0.2080 0.2080 8.7914 8.7914 8.8463 8.8463 10.1796 10.1796 11.4046 11.4046 11.4629 11.4629 11.4858 11.4858 12.7974 12.7974 12.8503 12.8503 13.8038 13.8038 13.8700 13.8700 14.6077 14.6077 16.7378 16.7378 16.7405 16.7405 k = 0.0000 0.0000 0.0764 ( 1265 PWs) bands (ev): 0.2248 0.2248 8.8022 8.8022 8.8569 8.8569 10.1897 10.1897 11.4020 11.4020 11.4596 11.4596 11.5041 11.5041 12.7806 12.7806 12.8315 12.8315 13.7933 13.7933 13.8589 13.8589 14.6169 14.6169 16.7457 16.7457 16.7475 16.7475 k = 0.0000 0.0000 0.0892 ( 1265 PWs) bands (ev): 0.2447 0.2447 8.8149 8.8149 8.8694 8.8694 10.2016 10.2016 11.3989 11.3989 11.4554 11.4554 11.5258 11.5258 12.7614 12.7614 12.8100 12.8100 13.7810 13.7810 13.8458 13.8458 14.6279 14.6279 16.7551 16.7551 16.7557 16.7557 k = 0.0000 0.0000 0.1019 ( 1253 PWs) bands (ev): 0.2677 0.2677 8.8297 8.8297 8.8838 8.8838 10.2152 10.2152 11.3953 11.3953 11.4503 11.4503 11.5512 11.5512 12.7403 12.7403 12.7863 12.7863 13.7670 13.7670 13.8310 13.8310 14.6406 14.6406 16.7651 16.7651 16.7658 16.7658 k = 0.0000 0.0000 0.1146 ( 1265 PWs) bands (ev): 0.2937 0.2937 8.8463 8.8463 8.9001 8.9001 10.2299 10.2299 11.3909 11.3909 11.4442 11.4442 11.5796 11.5796 12.7169 12.7169 12.7599 12.7599 13.7507 13.7507 13.8137 13.8137 14.6551 14.6551 16.7757 16.7757 16.7778 16.7778 k = 0.0000 0.0000 0.1274 ( 1271 PWs) bands (ev): 0.3227 0.3227 8.8648 8.8648 8.9183 8.9183 10.2461 10.2461 11.3858 11.3858 11.4373 11.4373 11.6109 11.6109 12.6919 12.6919 12.7316 12.7316 13.7331 13.7331 13.7951 13.7951 14.6714 14.6714 16.7874 16.7874 16.7911 16.7911 k = 0.0000 0.0000 0.1401 ( 1265 PWs) bands (ev): 0.3548 0.3548 8.8852 8.8852 8.9383 8.9383 10.2638 10.2638 11.3801 11.3801 11.4294 11.4294 11.6462 11.6462 12.6655 12.6655 12.7016 12.7016 13.7139 13.7139 13.7749 13.7749 14.6896 14.6896 16.8002 16.8002 16.8057 16.8057 k = 0.0000 0.0000 0.1528 ( 1265 PWs) bands (ev): 0.3900 0.3900 8.9075 8.9075 8.9601 8.9601 10.2823 10.2823 11.3735 11.3735 11.4204 11.4204 11.6842 11.6842 12.6382 12.6382 12.6703 12.6703 13.6932 13.6932 13.7530 13.7530 14.7096 14.7096 16.8141 16.8141 16.8215 16.8215 k = 0.0000 0.0000 0.1656 ( 1265 PWs) bands (ev): 0.4281 0.4281 8.9317 8.9317 8.9838 8.9838 10.3017 10.3017 11.3660 11.3660 11.4102 11.4102 11.7252 11.7252 12.6102 12.6102 12.6380 12.6380 13.6709 13.6709 13.7295 13.7295 14.7316 14.7316 16.8290 16.8290 16.8384 16.8384 k = 0.0000 0.0000 0.1783 ( 1265 PWs) bands (ev): 0.4693 0.4693 8.9576 8.9576 9.0092 9.0092 10.3218 10.3218 11.3575 11.3575 11.3988 11.3988 11.7692 11.7692 12.5818 12.5818 12.6050 12.6050 13.6472 13.6472 13.7045 13.7045 14.7556 14.7556 16.8449 16.8449 16.8565 16.8565 k = 0.0000 0.0000 0.1910 ( 1265 PWs) bands (ev): 0.5136 0.5136 8.9854 8.9854 9.0364 9.0364 10.3424 10.3424 11.3481 11.3481 11.3861 11.3861 11.8161 11.8161 12.5534 12.5534 12.5716 12.5716 13.6220 13.6220 13.6780 13.6780 14.7815 14.7815 16.8617 16.8617 16.8757 16.8757 k = 0.0000 0.0000 0.2038 ( 1265 PWs) bands (ev): 0.5608 0.5608 9.0149 9.0149 9.0654 9.0654 10.3631 10.3631 11.3374 11.3374 11.3721 11.3721 11.8659 11.8659 12.5252 12.5252 12.5381 12.5381 13.5955 13.5955 13.6501 13.6501 14.8096 14.8096 16.8795 16.8795 16.8960 16.8960 k = 0.0000 0.0000 0.2165 ( 1264 PWs) bands (ev): 0.6111 0.6111 9.0462 9.0462 9.0960 9.0960 10.3839 10.3839 11.3256 11.3256 11.3566 11.3566 11.9183 11.9183 12.4976 12.4976 12.5048 12.5048 13.5678 13.5678 13.6210 13.6210 14.8398 14.8398 16.8981 16.8981 16.9173 16.9173 k = 0.0000 0.0000 0.2293 ( 1264 PWs) bands (ev): 0.6644 0.6644 9.0793 9.0793 9.1284 9.1284 10.4041 10.4041 11.3125 11.3125 11.3396 11.3396 11.9734 11.9734 12.4709 12.4709 12.4720 12.4720 13.5388 13.5388 13.5906 13.5906 14.8721 14.8721 16.9176 16.9176 16.9397 16.9397 k = 0.0000 0.0000 0.2420 ( 1264 PWs) bands (ev): 0.7207 0.7207 9.1140 9.1140 9.1624 9.1624 10.4236 10.4236 11.2980 11.2980 11.3212 11.3212 12.0308 12.0308 12.4399 12.4399 12.4453 12.4453 13.5086 13.5086 13.5590 13.5590 14.9067 14.9067 16.9379 16.9379 16.9630 16.9630 k = 0.0000 0.0000 0.2547 ( 1264 PWs) bands (ev): 0.7800 0.7800 9.1504 9.1504 9.1980 9.1980 10.4420 10.4420 11.2822 11.2822 11.3011 11.3011 12.0903 12.0903 12.4088 12.4088 12.4215 12.4215 13.4774 13.4774 13.5262 13.5262 14.9435 14.9435 16.9588 16.9588 16.9872 16.9872 k = 0.0000 0.0000 0.2675 ( 1264 PWs) bands (ev): 0.8423 0.8423 9.1884 9.1884 9.2352 9.2352 10.4589 10.4589 11.2648 11.2648 11.2795 11.2795 12.1511 12.1511 12.3789 12.3789 12.4000 12.4000 13.4451 13.4451 13.4925 13.4925 14.9827 14.9827 16.9805 16.9805 17.0123 17.0123 k = 0.0000 0.0000 0.2802 ( 1264 PWs) bands (ev): 0.9076 0.9076 9.2279 9.2279 9.2740 9.2740 10.4738 10.4738 11.2460 11.2460 11.2564 11.2564 12.2116 12.2116 12.3503 12.3503 12.3826 12.3826 13.4118 13.4118 13.4577 13.4577 15.0242 15.0242 17.0026 17.0026 17.0384 17.0384 k = 0.0000 0.0000 0.2929 ( 1264 PWs) bands (ev): 0.9758 0.9758 9.2690 9.2690 9.3143 9.3143 10.4863 10.4863 11.2257 11.2257 11.2318 11.2318 12.2652 12.2652 12.3232 12.3232 12.3760 12.3760 13.3776 13.3776 13.4220 13.4220 15.0681 15.0681 17.0248 17.0248 17.0653 17.0653 k = 0.0000 0.0000 0.3057 ( 1264 PWs) bands (ev): 1.0470 1.0470 9.3117 9.3117 9.3560 9.3560 10.4959 10.4959 11.2039 11.2039 11.2058 11.2058 12.2925 12.2925 12.2977 12.2977 12.3992 12.3992 13.3425 13.3425 13.3854 13.3854 15.1142 15.1142 17.0465 17.0465 17.0931 17.0931 k = 0.0000 0.0000 0.3184 ( 1264 PWs) bands (ev): 1.1212 1.1212 9.3557 9.3557 9.3992 9.3992 10.5020 10.5020 11.1784 11.1784 11.1807 11.1807 12.2739 12.2739 12.2910 12.2910 12.4550 12.4550 13.3066 13.3066 13.3480 13.3480 15.1625 15.1625 17.0645 17.0645 17.1216 17.1216 k = 0.0000 0.0000 0.3311 ( 1252 PWs) bands (ev): 1.1984 1.1984 9.4013 9.4013 9.4438 9.4438 10.5039 10.5039 11.1501 11.1501 11.1564 11.1564 12.2520 12.2520 12.2804 12.2804 12.5234 12.5234 13.2700 13.2700 13.3098 13.3098 15.2128 15.2128 17.0519 17.0519 17.1511 17.1511 k = 0.0000 0.0000 0.3439 ( 1246 PWs) bands (ev): 1.2785 1.2785 9.4481 9.4481 9.4897 9.4897 10.5013 10.5013 11.1205 11.1205 11.1306 11.1306 12.2318 12.2318 12.2683 12.2683 12.5967 12.5967 13.2326 13.2326 13.2710 13.2710 15.2646 15.2646 16.9029 16.9029 17.1539 17.1539 k = 0.0000 0.0000 0.3566 ( 1246 PWs) bands (ev): 1.3615 1.3615 9.4963 9.4963 9.5369 9.5369 10.4932 10.4932 11.0898 11.0898 11.1035 11.1035 12.2133 12.2133 12.2563 12.2563 12.6729 12.6729 13.1945 13.1945 13.2314 13.2314 15.3171 15.3171 16.7071 16.7071 17.1709 17.1709 k = 0.0000 0.0000 0.3694 ( 1252 PWs) bands (ev): 1.4475 1.4475 9.5456 9.5456 9.5853 9.5853 10.4791 10.4791 11.0583 11.0583 11.0752 11.0752 12.1963 12.1963 12.2451 12.2451 12.7513 12.7513 13.1556 13.1556 13.1909 13.1909 15.3687 15.3687 16.5171 16.5171 17.1953 17.1953 k = 0.0000 0.0000 0.3821 ( 1264 PWs) bands (ev): 1.5363 1.5363 9.5962 9.5962 9.6349 9.6349 10.4581 10.4581 11.0260 11.0260 11.0460 11.0460 12.1810 12.1810 12.2349 12.2349 12.8307 12.8307 13.1162 13.1162 13.1500 13.1500 15.4163 15.4163 16.3414 16.3414 17.2222 17.2222 k = 0.0000 0.0000 0.3948 ( 1264 PWs) bands (ev): 1.6281 1.6281 9.6479 9.6479 9.6856 9.6856 10.4300 10.4300 10.9933 10.9933 11.0161 11.0161 12.1674 12.1674 12.2259 12.2259 12.9121 12.9121 13.0762 13.0762 13.1086 13.1086 15.4537 15.4537 16.1886 16.1886 17.2503 17.2503 k = 0.0000 0.0000 0.4076 ( 1258 PWs) bands (ev): 1.7227 1.7227 9.7006 9.7006 9.7375 9.7375 10.3940 10.3940 10.9603 10.9603 10.9857 10.9857 12.1553 12.1553 12.2180 12.2180 12.9949 12.9949 13.0358 13.0358 13.0667 13.0667 15.4683 15.4683 16.0718 16.0718 17.2794 17.2794 k = 0.0000 0.0000 0.4203 ( 1258 PWs) bands (ev): 1.8203 1.8203 9.7543 9.7543 9.7903 9.7903 10.3494 10.3494 10.9270 10.9270 10.9548 10.9548 12.1445 12.1445 12.2110 12.2110 12.9948 12.9948 13.0243 13.0243 13.0784 13.0784 15.4434 15.4434 16.0086 16.0086 17.3093 17.3093 k = 0.0000 0.0000 0.4330 ( 1258 PWs) bands (ev): 1.9207 1.9207 9.8089 9.8089 9.8441 9.8441 10.2959 10.2959 10.8937 10.8937 10.9235 10.9235 12.1350 12.1350 12.2050 12.2050 12.9533 12.9533 12.9814 12.9814 13.1627 13.1627 15.3745 15.3745 16.0040 16.0040 17.3398 17.3398 k = 0.0000 0.0000 0.4458 ( 1258 PWs) bands (ev): 2.0240 2.0240 9.8640 9.8640 9.8987 9.8987 10.2332 10.2332 10.8604 10.8604 10.8920 10.8920 12.1267 12.1267 12.1999 12.1999 12.9113 12.9113 12.9381 12.9381 13.2475 13.2475 15.2776 15.2776 16.0424 16.0424 17.3710 17.3710 k = 0.0000 0.0000 0.4585 ( 1258 PWs) bands (ev): 2.1300 2.1300 9.9193 9.9193 9.9542 9.9542 10.1616 10.1616 10.8273 10.8273 10.8605 10.8605 12.1195 12.1195 12.1956 12.1956 12.8689 12.8689 12.8943 12.8943 13.3326 13.3326 15.1706 15.1706 16.1063 16.1063 17.4028 17.4028 k = 0.0000 0.0000 0.4712 ( 1258 PWs) bands (ev): 2.2390 2.2390 9.9713 9.9713 10.0105 10.0105 10.0840 10.0840 10.7945 10.7945 10.8292 10.8292 12.1132 12.1132 12.1920 12.1920 12.8261 12.8261 12.8501 12.8501 13.4178 13.4178 15.0637 15.0637 16.1854 16.1854 17.4350 17.4350 k = 0.0000 0.0000 0.4840 ( 1258 PWs) bands (ev): 2.3507 2.3507 9.9681 9.9681 10.0527 10.0527 10.0675 10.0675 10.7622 10.7622 10.7982 10.7982 12.1078 12.1078 12.1891 12.1891 12.7830 12.7830 12.8056 12.8056 13.5029 13.5029 14.9618 14.9618 16.2750 16.2750 17.4678 17.4678 k = 0.0000 0.0000 0.4967 ( 1258 PWs) bands (ev): 2.4652 2.4652 9.8751 9.8751 10.1021 10.1021 10.1250 10.1250 10.7304 10.7304 10.7676 10.7676 12.1033 12.1033 12.1867 12.1867 12.7394 12.7394 12.7606 12.7606 13.5877 13.5877 14.8672 14.8672 16.3724 16.3724 17.5010 17.5010 k = 0.0000 0.0000 0.5095 ( 1258 PWs) bands (ev): 2.5825 2.5825 9.7653 9.7653 10.1596 10.1596 10.1832 10.1832 10.6992 10.6992 10.7375 10.7375 12.0994 12.0994 12.1849 12.1849 12.6954 12.6954 12.7153 12.7153 13.6718 13.6718 14.7807 14.7807 16.4764 16.4764 17.5346 17.5346 k = 0.0000 0.0000 0.5222 ( 1270 PWs) bands (ev): 2.7025 2.7025 9.6455 9.6455 10.2185 10.2185 10.2416 10.2416 10.6686 10.6686 10.7078 10.7078 12.0960 12.0960 12.1834 12.1834 12.6509 12.6509 12.6695 12.6695 13.7551 13.7551 14.7027 14.7027 16.5862 16.5862 17.5684 17.5684 k = 0.0000 0.0000 0.5349 ( 1270 PWs) bands (ev): 2.8253 2.8253 9.5171 9.5171 10.2783 10.2783 10.3006 10.3006 10.6390 10.6390 10.6792 10.6792 12.0933 12.0933 12.1825 12.1825 12.6063 12.6063 12.6235 12.6235 13.8373 13.8373 14.6331 14.6331 16.7012 16.7012 17.6026 17.6026 k = 0.0000 0.0000 0.5477 ( 1270 PWs) bands (ev): 2.9508 2.9508 9.3808 9.3808 10.3387 10.3387 10.3597 10.3597 10.6104 10.6104 10.6517 10.6517 12.0911 12.0911 12.1819 12.1819 12.5613 12.5613 12.5771 12.5771 13.9182 13.9182 14.5713 14.5713 16.8212 16.8212 17.6370 17.6370 k = 0.0000 0.0000 0.5604 ( 1282 PWs) bands (ev): 3.0789 3.0789 9.2373 9.2373 10.3993 10.3993 10.4186 10.4186 10.5825 10.5825 10.6252 10.6252 12.0892 12.0892 12.1816 12.1816 12.5158 12.5158 12.5304 12.5304 13.9975 13.9975 14.5169 14.5169 16.9458 16.9458 17.6714 17.6714 k = 0.0000 0.0000 0.5731 ( 1282 PWs) bands (ev): 3.2098 3.2098 9.0877 9.0877 10.4602 10.4602 10.4766 10.4766 10.5559 10.5559 10.6012 10.6012 12.0877 12.0877 12.1815 12.1815 12.4701 12.4701 12.4834 12.4834 14.0749 14.0749 14.4695 14.4695 17.0748 17.0748 17.7060 17.7060 k = 0.0000 0.0000 0.5859 ( 1282 PWs) bands (ev): 3.3432 3.3432 8.9326 8.9326 10.5213 10.5213 10.5274 10.5274 10.5304 10.5304 10.5857 10.5857 12.0865 12.0865 12.1817 12.1817 12.4240 12.4240 12.4362 12.4362 14.1502 14.1502 14.4283 14.4283 17.2078 17.2078 17.7405 17.7405 k = 0.0000 0.0000 0.5986 ( 1282 PWs) bands (ev): 3.4793 3.4793 8.7726 8.7726 10.5061 10.5061 10.5367 10.5367 10.5825 10.5825 10.6129 10.6129 12.0853 12.0853 12.1821 12.1821 12.3776 12.3776 12.3887 12.3887 14.2231 14.2231 14.3927 14.3927 17.3446 17.3446 17.7750 17.7750 k = 0.0000 0.0000 0.6113 ( 1282 PWs) bands (ev): 3.6179 3.6179 8.6085 8.6085 10.4831 10.4831 10.5192 10.5192 10.6437 10.6437 10.6681 10.6681 12.0842 12.0842 12.1826 12.1826 12.3308 12.3308 12.3410 12.3410 14.2933 14.2933 14.3621 14.3621 17.4846 17.4846 17.8097 17.8097 k = 0.0000 0.0000 0.6241 ( 1282 PWs) bands (ev): 3.7590 3.7590 8.4409 8.4409 10.4613 10.4613 10.4992 10.4992 10.7047 10.7047 10.7271 10.7271 12.0830 12.0830 12.1832 12.1832 12.2836 12.2836 12.2932 12.2932 14.3359 14.3359 14.3605 14.3605 17.6267 17.6267 17.8453 17.8453 k = 0.0000 0.0000 0.6368 ( 1282 PWs) bands (ev): 3.9026 3.9026 8.2704 8.2704 10.4409 10.4409 10.4797 10.4797 10.7656 10.7656 10.7870 10.7870 12.0813 12.0813 12.1839 12.1839 12.2361 12.2361 12.2457 12.2457 14.3136 14.3136 14.4246 14.4246 17.7660 17.7660 17.8860 17.8860 k = 0.0000 0.0000 0.6496 ( 1282 PWs) bands (ev): 4.0487 4.0487 8.0976 8.0976 10.4218 10.4218 10.4611 10.4611 10.8262 10.8262 10.8470 10.8470 12.0783 12.0783 12.1846 12.1846 12.1882 12.1882 12.1992 12.1992 14.2947 14.2947 14.4852 14.4852 17.8714 17.8714 17.9626 17.9626 k = 0.0000 0.0000 0.6623 ( 1282 PWs) bands (ev): 4.1972 4.1972 7.9230 7.9230 10.4041 10.4041 10.4438 10.4438 10.8865 10.8865 10.9069 10.9069 12.0718 12.0718 12.1400 12.1400 12.1559 12.1559 12.1854 12.1854 14.2788 14.2788 14.5420 14.5420 17.9188 17.9188 18.0983 18.0983 k = 0.0000 0.0000 0.6750 ( 1282 PWs) bands (ev): 4.3480 4.3480 7.7471 7.7471 10.3879 10.3879 10.4278 10.4278 10.9463 10.9463 10.9668 10.9668 12.0548 12.0548 12.0914 12.0914 12.1227 12.1227 12.1862 12.1862 14.2654 14.2654 14.5949 14.5949 17.9514 17.9514 18.1329 18.1329 k = 0.0000 0.0000 0.6878 ( 1270 PWs) bands (ev): 4.5011 4.5011 7.5703 7.5703 10.3734 10.3734 10.4135 10.4135 11.0055 11.0055 11.0264 11.0264 12.0206 12.0206 12.0427 12.0427 12.1064 12.1064 12.1870 12.1870 14.2543 14.2543 14.6439 14.6439 17.9799 17.9799 18.1645 18.1645 k = 0.0000 0.0000 0.7005 ( 1270 PWs) bands (ev): 4.6563 4.6563 7.3930 7.3930 10.3601 10.3601 10.4004 10.4004 11.0640 11.0640 11.0857 11.0857 11.9759 11.9759 11.9937 11.9937 12.1001 12.1001 12.1877 12.1877 14.2451 14.2451 14.6880 14.6880 18.0056 18.0056 18.1938 18.1938 k = 0.0000 0.0000 0.7132 ( 1258 PWs) bands (ev): 4.8137 4.8137 7.2156 7.2156 10.3487 10.3487 10.3891 10.3891 11.1216 11.1216 11.1447 11.1447 11.9273 11.9273 11.9449 11.9449 12.0976 12.0976 12.1884 12.1884 14.2376 14.2376 14.7276 14.7276 18.0287 18.0287 18.2207 18.2207 k = 0.0000 0.0000 0.7260 ( 1258 PWs) bands (ev): 4.9730 4.9730 7.0384 7.0384 10.3385 10.3385 10.3789 10.3789 11.1780 11.1780 11.2031 11.2031 11.8769 11.8769 11.8960 11.8960 12.0963 12.0963 12.1890 12.1890 14.2314 14.2314 14.7622 14.7622 18.0493 18.0493 18.2447 18.2447 k = 0.0000 0.0000 0.7387 ( 1258 PWs) bands (ev): 5.1341 5.1341 6.8619 6.8619 10.3298 10.3298 10.3703 10.3703 11.2329 11.2329 11.2610 11.2610 11.8254 11.8254 11.8476 11.8476 12.0956 12.0956 12.1896 12.1896 14.2265 14.2265 14.7919 14.7919 18.0670 18.0670 18.2656 18.2656 k = 0.0000 0.0000 0.7514 ( 1258 PWs) bands (ev): 5.2966 5.2966 6.6865 6.6865 10.3226 10.3226 10.3632 10.3632 11.2854 11.2854 11.3181 11.3181 11.7734 11.7734 11.8004 11.8004 12.0952 12.0952 12.1900 12.1900 14.2228 14.2228 14.8163 14.8163 18.0819 18.0819 18.2832 18.2832 k = 0.0000 0.0000 0.7642 ( 1246 PWs) bands (ev): 5.4601 5.4601 6.5129 6.5129 10.3171 10.3171 10.3576 10.3576 11.3345 11.3345 11.3743 11.3743 11.7214 11.7214 11.7558 11.7558 12.0954 12.0954 12.1907 12.1907 14.2200 14.2200 14.8355 14.8355 18.0937 18.0937 18.2972 18.2972 k = 0.0000 0.0000 0.7769 ( 1240 PWs) bands (ev): 5.6227 5.6227 6.3430 6.3430 10.3131 10.3131 10.3537 10.3537 11.3773 11.3773 11.4286 11.4286 11.6701 11.6701 11.7162 11.7162 12.0953 12.0953 12.1910 12.1910 14.2182 14.2182 14.8492 14.8492 18.1022 18.1022 18.3073 18.3073 k = 0.0000 0.0000 0.7896 ( 1246 PWs) bands (ev): 5.7781 5.7781 6.1832 6.1832 10.3107 10.3107 10.3513 10.3513 11.4085 11.4085 11.4776 11.4776 11.6226 11.6226 11.6865 11.6865 12.0952 12.0952 12.1911 12.1911 14.2171 14.2171 14.8575 14.8575 18.1073 18.1073 18.3134 18.3134 k = 0.0000 0.0000 0.8024 ( 1246 PWs) bands (ev): 5.8729 5.8729 6.0869 6.0869 10.3099 10.3099 10.3505 10.3505 11.4206 11.4206 11.5041 11.5041 11.5966 11.5966 11.6750 11.6750 12.0951 12.0951 12.1911 12.1911 14.2167 14.2167 14.8603 14.8603 18.1090 18.1090 18.3154 18.3154 k = 0.0000 0.0000 0.8024 ( 1246 PWs) bands (ev): 5.8729 5.8729 6.0869 6.0869 10.3099 10.3099 10.3505 10.3505 11.4206 11.4206 11.5041 11.5041 11.5966 11.5966 11.6750 11.6750 12.0951 12.0951 12.1911 12.1911 14.2167 14.2167 14.8603 14.8603 18.1090 18.1090 18.3154 18.3154 k = 0.0111 0.0064 0.8024 ( 1246 PWs) bands (ev): 5.8733 5.8733 6.0883 6.0883 10.3067 10.3067 10.3469 10.3469 11.4250 11.4250 11.5081 11.5081 11.5939 11.5939 11.6715 11.6715 12.0980 12.0980 12.1932 12.1932 14.2186 14.2186 14.8600 14.8600 18.0967 18.0967 18.3023 18.3023 k = 0.0222 0.0128 0.8024 ( 1246 PWs) bands (ev): 5.8743 5.8743 6.0923 6.0923 10.2974 10.2974 10.3362 10.3362 11.4380 11.4380 11.5200 11.5200 11.5854 11.5854 11.6616 11.6616 12.1063 12.1063 12.1991 12.1991 14.2243 14.2243 14.8592 14.8592 18.0540 18.0540 18.2747 18.2747 k = 0.0333 0.0192 0.8024 ( 1250 PWs) bands (ev): 5.8759 5.8759 6.0990 6.0990 10.2823 10.2823 10.3191 10.3191 11.4583 11.4583 11.5390 11.5390 11.5707 11.5707 11.6478 11.6478 12.1190 12.1190 12.2085 12.2085 14.2336 14.2336 14.8579 14.8579 17.9738 17.9738 18.2526 18.2526 k = 0.0444 0.0257 0.8024 ( 1250 PWs) bands (ev): 5.8782 5.8782 6.1083 6.1083 10.2618 10.2618 10.2963 10.2963 11.4838 11.4838 11.5487 11.5487 11.5664 11.5664 11.6329 11.6329 12.1355 12.1355 12.2210 12.2210 14.2464 14.2464 14.8559 14.8559 17.8626 17.8626 18.2414 18.2414 k = 0.0556 0.0321 0.8024 ( 1254 PWs) bands (ev): 5.8812 5.8812 6.1202 6.1202 10.2366 10.2366 10.2691 10.2691 11.4978 11.4978 11.5383 11.5383 11.5945 11.5945 11.6222 11.6222 12.1543 12.1543 12.2360 12.2360 14.2624 14.2624 14.8535 14.8535 17.7323 17.7323 18.2375 18.2375 k = 0.0667 0.0385 0.8024 ( 1254 PWs) bands (ev): 5.8848 5.8848 6.1348 6.1348 10.2073 10.2073 10.2384 10.2384 11.4705 11.4705 11.5656 11.5656 11.5983 11.5983 11.6447 11.6447 12.1746 12.1746 12.2532 12.2532 14.2815 14.2815 14.8504 14.8504 17.5913 17.5913 18.2377 18.2377 k = 0.0778 0.0449 0.8024 ( 1254 PWs) bands (ev): 5.8889 5.8889 6.1519 6.1519 10.1741 10.1741 10.2055 10.2055 11.4299 11.4299 11.5787 11.5787 11.6127 11.6127 11.6886 11.6886 12.1952 12.1952 12.2726 12.2726 14.3034 14.3034 14.8468 14.8468 17.4443 17.4443 18.2404 18.2404 k = 0.0889 0.0513 0.8024 ( 1262 PWs) bands (ev): 5.8937 5.8937 6.1715 6.1715 10.1376 10.1376 10.1711 10.1711 11.3846 11.3846 11.5660 11.5660 11.6554 11.6554 11.7389 11.7389 12.2147 12.2147 12.2946 12.2946 14.3276 14.3276 14.8426 14.8426 17.2942 17.2942 18.2449 18.2449 k = 0.1000 0.0577 0.8024 ( 1260 PWs) bands (ev): 5.8990 5.8990 6.1935 6.1935 10.0985 10.0985 10.1364 10.1364 11.3365 11.3365 11.5514 11.5514 11.7019 11.7019 11.7945 11.7945 12.2324 12.2324 12.3197 12.3197 14.3538 14.3538 14.8379 14.8379 17.1427 17.1427 18.2508 18.2508 k = 0.1111 0.0642 0.8024 ( 1260 PWs) bands (ev): 5.9048 5.9048 6.2180 6.2180 10.0571 10.0571 10.1014 10.1014 11.2865 11.2865 11.5365 11.5365 11.7500 11.7500 11.8544 11.8544 12.2474 12.2474 12.3481 12.3481 14.3817 14.3817 14.8326 14.8326 16.9910 16.9910 18.2578 18.2578 k = 0.1222 0.0706 0.8024 ( 1260 PWs) bands (ev): 5.9111 5.9111 6.2448 6.2448 10.0143 10.0143 10.0668 10.0668 11.2352 11.2352 11.5214 11.5214 11.7992 11.7992 11.9178 11.9178 12.2595 12.2595 12.3797 12.3797 14.4107 14.4107 14.8265 14.8265 16.8398 16.8398 18.2657 18.2657 k = 0.1333 0.0770 0.8024 ( 1264 PWs) bands (ev): 5.9179 5.9179 6.2737 6.2737 9.9704 9.9704 10.0326 10.0326 11.1833 11.1833 11.5063 11.5063 11.8491 11.8491 11.9843 11.9843 12.2688 12.2688 12.4135 12.4135 14.4405 14.4405 14.8199 14.8199 16.6897 16.6897 18.2745 18.2745 k = 0.1444 0.0834 0.8024 ( 1264 PWs) bands (ev): 5.9250 5.9250 6.3049 6.3049 9.9260 9.9260 9.9992 9.9992 11.1313 11.1313 11.4915 11.4915 11.8992 11.8992 12.0533 12.0533 12.2758 12.2758 12.4499 12.4499 14.4707 14.4707 14.8127 14.8127 16.5413 16.5413 18.2840 18.2840 k = 0.1556 0.0898 0.8024 ( 1264 PWs) bands (ev): 5.9326 5.9326 6.3380 6.3380 9.8814 9.8814 9.9667 9.9667 11.0796 11.0796 11.4768 11.4768 11.9493 11.9493 12.1243 12.1243 12.2805 12.2805 12.4883 12.4883 14.5010 14.5010 14.8049 14.8049 16.3947 16.3947 18.2942 18.2942 k = 0.1667 0.0962 0.8024 ( 1260 PWs) bands (ev): 5.9405 5.9405 6.3731 6.3731 9.8369 9.8369 9.9353 9.9353 11.0287 11.0287 11.4623 11.4623 11.9991 11.9991 12.1963 12.1963 12.2840 12.2840 12.5285 12.5285 14.5307 14.5307 14.7966 14.7966 16.2503 16.2503 18.3051 18.3051 k = 0.1778 0.1026 0.8024 ( 1260 PWs) bands (ev): 5.9487 5.9487 6.4100 6.4100 9.7926 9.7926 9.9052 9.9052 10.9787 10.9787 11.4483 11.4483 12.0483 12.0483 12.2605 12.2605 12.2945 12.2945 12.5699 12.5699 14.5595 14.5595 14.7880 14.7880 16.1084 16.1084 18.3164 18.3164 k = 0.1889 0.1091 0.8024 ( 1262 PWs) bands (ev): 5.9571 5.9571 6.4486 6.4486 9.7487 9.7487 9.8762 9.8762 10.9302 10.9302 11.4348 11.4348 12.0962 12.0962 12.2752 12.2752 12.3541 12.3541 12.6131 12.6131 14.5866 14.5866 14.7792 14.7792 15.9691 15.9691 18.3282 18.3282 k = 0.2000 0.1155 0.8024 ( 1262 PWs) bands (ev): 5.9657 5.9657 6.4887 6.4887 9.7055 9.7055 9.8487 9.8487 10.8831 10.8831 11.4215 11.4215 12.1416 12.1416 12.2748 12.2748 12.4292 12.4292 12.6576 12.6576 14.6114 14.6114 14.7711 14.7711 15.8327 15.8327 18.3404 18.3404 k = 0.2111 0.1219 0.8024 ( 1262 PWs) bands (ev): 5.9744 5.9744 6.5301 6.5301 9.6631 9.6631 9.8228 9.8228 10.8382 10.8382 11.4084 11.4084 12.1814 12.1814 12.2754 12.2754 12.5062 12.5062 12.7033 12.7033 14.6322 14.6322 14.7647 14.7647 15.6994 15.6994 18.3529 18.3529 k = 0.2222 0.1283 0.8024 ( 1260 PWs) bands (ev): 5.9833 5.9833 6.5727 6.5727 9.6216 9.6216 9.7987 9.7987 10.7955 10.7955 11.3958 11.3958 12.2068 12.2068 12.2866 12.2866 12.5840 12.5840 12.7501 12.7501 14.6469 14.6469 14.7620 14.7620 15.5693 15.5693 18.3655 18.3655 k = 0.2333 0.1347 0.8024 ( 1262 PWs) bands (ev): 5.9922 5.9922 6.6163 6.6163 9.5811 9.5811 9.7761 9.7761 10.7554 10.7554 11.3833 11.3833 12.2108 12.2108 12.3155 12.3155 12.6618 12.6618 12.7982 12.7982 14.6533 14.6533 14.7649 14.7649 15.4427 15.4427 18.3781 18.3781 k = 0.2444 0.1411 0.8024 ( 1262 PWs) bands (ev): 6.0011 6.0011 6.6608 6.6608 9.5417 9.5417 9.7552 9.7552 10.7180 10.7180 11.3715 11.3715 12.2014 12.2014 12.3539 12.3539 12.7391 12.7391 12.8478 12.8478 14.6508 14.6508 14.7739 14.7739 15.3197 15.3197 18.3897 18.3897 k = 0.2556 0.1475 0.8024 ( 1262 PWs) bands (ev): 6.0100 6.0100 6.7058 6.7058 9.5036 9.5036 9.7360 9.7360 10.6836 10.6836 11.3602 11.3602 12.1855 12.1855 12.3947 12.3947 12.8150 12.8150 12.8992 12.8992 14.6414 14.6414 14.7870 14.7870 15.2006 15.2006 18.3920 18.3920 k = 0.2667 0.1540 0.8024 ( 1258 PWs) bands (ev): 6.0188 6.0188 6.7512 6.7512 9.4667 9.4667 9.7186 9.7186 10.6526 10.6526 11.3494 11.3494 12.1653 12.1653 12.4356 12.4356 12.8879 12.8879 12.9537 12.9537 14.6274 14.6274 14.8019 14.8019 15.0857 15.0857 18.3104 18.3104 k = 0.2778 0.1604 0.8024 ( 1262 PWs) bands (ev): 6.0274 6.0274 6.7967 6.7967 9.4311 9.4311 9.7028 9.7028 10.6250 10.6250 11.3390 11.3390 12.1414 12.1414 12.4756 12.4756 12.9551 12.9551 13.0135 13.0135 14.6097 14.6097 14.8170 14.8170 14.9753 14.9753 18.1993 18.1993 k = 0.2889 0.1668 0.8024 ( 1262 PWs) bands (ev): 6.0359 6.0359 6.8421 6.8421 9.3969 9.3969 9.6887 9.6887 10.6012 10.6012 11.3291 11.3291 12.1143 12.1143 12.5145 12.5145 13.0152 13.0152 13.0794 13.0794 14.5897 14.5897 14.8312 14.8312 14.8702 14.8702 18.0927 18.0927 k = 0.3000 0.1732 0.8024 ( 1262 PWs) bands (ev): 6.0441 6.0441 6.8871 6.8871 9.3643 9.3643 9.6763 9.6763 10.5812 10.5812 11.3197 11.3197 12.0839 12.0839 12.5520 12.5520 13.0701 13.0701 13.1492 13.1492 14.5674 14.5674 14.7694 14.7694 14.8457 14.8457 17.9926 17.9926 k = 0.3111 0.1796 0.8024 ( 1262 PWs) bands (ev): 6.0521 6.0521 6.9315 6.9315 9.3331 9.3331 9.6654 9.6654 10.5654 10.5654 11.3108 11.3108 12.0504 12.0504 12.5879 12.5879 13.1221 13.1221 13.2197 13.2197 14.5422 14.5422 14.6764 14.6764 14.8580 14.8580 17.8996 17.8996 k = 0.3222 0.1860 0.8024 ( 1262 PWs) bands (ev): 6.0598 6.0598 6.9750 6.9750 9.3035 9.3035 9.6561 9.6561 10.5538 10.5538 11.3024 11.3024 12.0137 12.0137 12.6221 12.6221 13.1723 13.1723 13.2891 13.2891 14.5109 14.5109 14.5942 14.5942 14.8692 14.8692 17.8135 17.8135 k = 0.3333 0.1925 0.8024 ( 1262 PWs) bands (ev): 6.0672 6.0672 7.0174 7.0174 9.2755 9.2755 9.6481 9.6481 10.5466 10.5466 11.2944 11.2944 11.9739 11.9739 12.6546 12.6546 13.2212 13.2212 13.3560 13.3560 14.4637 14.4637 14.5336 14.5336 14.8791 14.8791 17.7346 17.7346 k = 0.3444 0.1989 0.8024 ( 1266 PWs) bands (ev): 6.0742 6.0742 7.0583 7.0583 9.2492 9.2492 9.6415 9.6415 10.5438 10.5438 11.2870 11.2870 11.9311 11.9311 12.6852 12.6852 13.2687 13.2687 13.4192 13.4192 14.3999 14.3999 14.4963 14.4963 14.8879 14.8879 17.6625 17.6625 k = 0.3556 0.2053 0.8024 ( 1266 PWs) bands (ev): 6.0808 6.0808 7.0975 7.0975 9.2245 9.2245 9.6361 9.6361 10.5458 10.5458 11.2801 11.2801 11.8855 11.8855 12.7140 12.7140 13.3149 13.3149 13.4776 13.4776 14.3350 14.3350 14.4680 14.4680 14.8955 14.8955 17.5971 17.5971 k = 0.3667 0.2117 0.8024 ( 1270 PWs) bands (ev): 6.0870 6.0870 7.1348 7.1348 9.2015 9.2015 9.6317 9.6317 10.5522 10.5522 11.2736 11.2736 11.8373 11.8373 12.7407 12.7407 13.3594 13.3594 13.5296 13.5296 14.2765 14.2765 14.4427 14.4427 14.9020 14.9020 17.5382 17.5382 k = 0.3778 0.2181 0.8024 ( 1270 PWs) bands (ev): 6.0928 6.0928 7.1700 7.1700 9.1803 9.1803 9.6284 9.6284 10.5633 10.5633 11.2677 11.2677 11.7867 11.7867 12.7655 12.7655 13.4021 13.4021 13.5736 13.5736 14.2277 14.2277 14.4190 14.4190 14.9077 14.9077 17.4856 17.4856 k = 0.3889 0.2245 0.8024 ( 1274 PWs) bands (ev): 6.0981 6.0981 7.2027 7.2027 9.1608 9.1608 9.6261 9.6261 10.5787 10.5787 11.2623 11.2623 11.7341 11.7341 12.7882 12.7882 13.4424 13.4424 13.6074 13.6074 14.1907 14.1907 14.3968 14.3968 14.9124 14.9124 17.4390 17.4390 k = 0.4000 0.2309 0.8024 ( 1274 PWs) bands (ev): 6.1030 6.1030 7.2329 7.2329 9.1431 9.1431 9.6244 9.6244 10.5983 10.5983 11.2574 11.2574 11.6800 11.6800 12.8088 12.8088 13.4804 13.4804 13.6298 13.6298 14.1667 14.1667 14.3760 14.3760 14.9164 14.9164 17.3980 17.3980 k = 0.4111 0.2374 0.8024 ( 1274 PWs) bands (ev): 6.1073 6.1073 7.2603 7.2603 9.1275 9.1275 9.6234 9.6234 10.6219 10.6219 11.2530 11.2530 11.6248 11.6248 12.8273 12.8273 13.5156 13.5156 13.6405 13.6405 14.1560 14.1560 14.3566 14.3566 14.9198 14.9198 17.3623 17.3623 k = 0.4222 0.2438 0.8024 ( 1266 PWs) bands (ev): 6.1112 6.1112 7.2848 7.2848 9.1136 9.1136 9.6229 9.6229 10.6488 10.6488 11.2491 11.2491 11.5694 11.5694 12.8440 12.8440 13.5478 13.5478 13.6411 13.6411 14.1566 14.1566 14.3394 14.3394 14.9226 14.9226 17.3316 17.3316 k = 0.4333 0.2502 0.8024 ( 1260 PWs) bands (ev): 6.1147 6.1147 7.3063 7.3063 9.1014 9.1014 9.6227 9.6227 10.6785 10.6785 11.2459 11.2459 11.5145 11.5145 12.8584 12.8584 13.5760 13.5760 13.6348 13.6348 14.1653 14.1653 14.3240 14.3240 14.9249 14.9249 17.3056 17.3056 k = 0.4444 0.2566 0.8024 ( 1260 PWs) bands (ev): 6.1176 6.1176 7.3246 7.3246 9.0911 9.0911 9.6228 9.6228 10.7099 10.7099 11.2432 11.2432 11.4614 11.4614 12.8704 12.8704 13.5991 13.5991 13.6257 13.6257 14.1786 14.1786 14.3107 14.3107 14.9268 14.9268 17.2841 17.2841 k = 0.4556 0.2630 0.8024 ( 1260 PWs) bands (ev): 6.1199 6.1199 7.3397 7.3397 9.0826 9.0826 9.6230 9.6230 10.7417 10.7417 11.2410 11.2410 11.4116 11.4116 12.8803 12.8803 13.6060 13.6060 13.6273 13.6273 14.1931 14.1931 14.2996 14.2996 14.9282 14.9282 17.2669 17.2669 k = 0.4667 0.2694 0.8024 ( 1268 PWs) bands (ev): 6.1218 6.1218 7.3515 7.3515 9.0760 9.0760 9.6232 9.6232 10.7717 10.7717 11.2394 11.2394 11.3670 11.3670 12.8880 12.8880 13.5974 13.5974 13.6411 13.6411 14.2067 14.2067 14.2905 14.2905 14.9290 14.9290 17.2536 17.2536 k = 0.4778 0.2758 0.8024 ( 1268 PWs) bands (ev): 6.1231 6.1231 7.3599 7.3599 9.0712 9.0712 9.6235 9.6235 10.7972 10.7972 11.2384 11.2384 11.3309 11.3309 12.8936 12.8936 13.5890 13.5890 13.6525 13.6525 14.2176 14.2176 14.2840 14.2840 14.9298 14.9298 17.2443 17.2443 k = 0.4889 0.2823 0.8024 ( 1268 PWs) bands (ev): 6.1239 6.1239 7.3650 7.3650 9.0684 9.0684 9.6236 9.6236 10.8148 10.8148 11.2380 11.2380 11.3068 11.3068 12.8969 12.8969 13.5836 13.5836 13.6595 13.6595 14.2246 14.2246 14.2800 14.2800 14.9302 14.9302 17.2388 17.2388 k = 0.5000 0.2887 0.8024 ( 1268 PWs) bands (ev): 6.1242 6.1242 7.3667 7.3667 9.0675 9.0675 9.6237 9.6237 10.8211 10.8211 11.2380 11.2380 11.2982 11.2982 12.8980 12.8980 13.5817 13.5817 13.6619 13.6619 14.2270 14.2270 14.2787 14.2787 14.9304 14.9304 17.2369 17.2369 k = 0.5000 0.2887 0.8024 ( 1268 PWs) bands (ev): 6.1242 6.1242 7.3667 7.3667 9.0675 9.0675 9.6237 9.6237 10.8211 10.8211 11.2380 11.2380 11.2982 11.2982 12.8980 12.8980 13.5817 13.5817 13.6619 13.6619 14.2270 14.2270 14.2787 14.2787 14.9304 14.9304 17.2369 17.2369 k = 0.4936 0.2998 0.8024 ( 1268 PWs) bands (ev): 6.1241 6.1241 7.3667 7.3667 9.0680 9.0680 9.6229 9.6229 10.8221 10.8221 11.2397 11.2397 11.2988 11.2988 12.8987 12.8987 13.5804 13.5804 13.6610 13.6610 14.2284 14.2284 14.2791 14.2791 14.9260 14.9260 17.2366 17.2366 k = 0.4872 0.3109 0.8024 ( 1268 PWs) bands (ev): 6.1241 6.1241 7.3665 7.3665 9.0699 9.0699 9.6205 9.6205 10.8252 10.8252 11.2448 11.2448 11.3005 11.3005 12.9017 12.9017 13.5765 13.5765 13.6580 13.6580 14.2326 14.2326 14.2808 14.2808 14.9120 14.9120 17.2357 17.2357 k = 0.4808 0.3220 0.8024 ( 1268 PWs) bands (ev): 6.1240 6.1240 7.3661 7.3661 9.0730 9.0730 9.6166 9.6166 10.8304 10.8304 11.2529 11.2529 11.3037 11.3037 12.9067 12.9067 13.5700 13.5700 13.6531 13.6531 14.2397 14.2397 14.2835 14.2835 14.8889 14.8889 17.2343 17.2343 k = 0.4744 0.3331 0.8024 ( 1268 PWs) bands (ev): 6.1239 6.1239 7.3656 7.3656 9.0773 9.0773 9.6112 9.6112 10.8375 10.8375 11.2633 11.2633 11.3089 11.3089 12.9136 12.9136 13.5611 13.5611 13.6464 13.6464 14.2495 14.2495 14.2873 14.2873 14.8568 14.8568 17.2323 17.2323 k = 0.4679 0.3442 0.8024 ( 1272 PWs) bands (ev): 6.1238 6.1238 7.3651 7.3651 9.0827 9.0827 9.6043 9.6043 10.8466 10.8466 11.2747 11.2747 11.3174 11.3174 12.9221 12.9221 13.5499 13.5499 13.6378 13.6378 14.2619 14.2619 14.2922 14.2922 14.8160 14.8160 17.2298 17.2298 k = 0.4615 0.3553 0.8024 ( 1268 PWs) bands (ev): 6.1237 6.1237 7.3644 7.3644 9.0894 9.0894 9.5962 9.5962 10.8577 10.8577 11.2853 11.2853 11.3311 11.3311 12.9322 12.9322 13.5365 13.5365 13.6278 13.6278 14.2765 14.2765 14.2988 14.2988 14.7669 14.7669 17.2267 17.2267 k = 0.4551 0.3664 0.8024 ( 1280 PWs) bands (ev): 6.1236 6.1236 7.3637 7.3637 9.0968 9.0968 9.5866 9.5866 10.8705 10.8705 11.2939 11.2939 11.3507 11.3507 12.9435 12.9435 13.5211 13.5211 13.6158 13.6158 14.2907 14.2907 14.3089 14.3089 14.7097 14.7097 17.2232 17.2232 k = 0.4487 0.3775 0.8024 ( 1276 PWs) bands (ev): 6.1234 6.1234 7.3629 7.3629 9.1055 9.1055 9.5760 9.5760 10.8853 10.8853 11.3010 11.3010 11.3758 11.3758 12.9563 12.9563 13.5040 13.5040 13.6029 13.6029 14.3013 14.3013 14.3262 14.3262 14.6456 14.6456 17.2192 17.2192 k = 0.4423 0.3886 0.8024 ( 1276 PWs) bands (ev): 6.1233 6.1233 7.3622 7.3622 9.1152 9.1152 9.5644 9.5644 10.9018 10.9018 11.3073 11.3073 11.4052 11.4052 12.9699 12.9699 13.4853 13.4853 13.5888 13.5888 14.3090 14.3090 14.3489 14.3489 14.5756 14.5756 17.1389 17.1389 k = 0.4359 0.3997 0.8024 ( 1276 PWs) bands (ev): 6.1232 6.1232 7.3615 7.3615 9.1257 9.1257 9.5518 9.5518 10.9199 10.9199 11.3133 11.3133 11.4383 11.4383 12.9840 12.9840 13.4653 13.4653 13.5737 13.5737 14.3156 14.3156 14.3724 14.3724 14.5034 14.5034 17.0164 17.0164 k = 0.4295 0.4108 0.8024 ( 1276 PWs) bands (ev): 6.1230 6.1230 7.3608 7.3608 9.1370 9.1370 9.5385 9.5385 10.9395 10.9395 11.3193 11.3193 11.4746 11.4746 12.9986 12.9986 13.4441 13.4441 13.5578 13.5578 14.3214 14.3214 14.3738 14.3738 14.4523 14.4523 16.8965 16.8965 k = 0.4231 0.4219 0.8024 ( 1280 PWs) bands (ev): 6.1229 6.1229 7.3602 7.3602 9.1490 9.1490 9.5245 9.5245 10.9604 10.9604 11.3253 11.3253 11.5135 11.5135 13.0132 13.0132 13.4222 13.4222 13.5414 13.5414 14.3038 14.3038 14.3324 14.3324 14.4663 14.4663 16.7793 16.7793 k = 0.4167 0.4330 0.8024 ( 1280 PWs) bands (ev): 6.1229 6.1229 7.3597 7.3597 9.1615 9.1615 9.5100 9.5100 10.9826 10.9826 11.3314 11.3314 11.5547 11.5547 13.0279 13.0279 13.3997 13.3997 13.5247 13.5247 14.2194 14.2194 14.3356 14.3356 14.5026 14.5026 16.6648 16.6648 k = 0.4103 0.4441 0.8024 ( 1276 PWs) bands (ev): 6.1228 6.1228 7.3594 7.3594 9.1746 9.1746 9.4951 9.4951 11.0063 11.0063 11.3374 11.3374 11.5978 11.5978 13.0421 13.0421 13.3770 13.3770 13.5077 13.5077 14.1273 14.1273 14.3408 14.3408 14.5458 14.5458 16.5530 16.5530 k = 0.4038 0.4552 0.8024 ( 1278 PWs) bands (ev): 6.1228 6.1228 7.3593 7.3593 9.1881 9.1881 9.4799 9.4799 11.0306 11.0306 11.3432 11.3432 11.6421 11.6421 13.0557 13.0557 13.3543 13.3543 13.4908 13.4908 14.0328 14.0328 14.3458 14.3458 14.5938 14.5938 16.4436 16.4436 k = 0.3974 0.4663 0.8024 ( 1278 PWs) bands (ev): 6.1228 6.1228 7.3592 7.3592 9.2017 9.2017 9.4647 9.4647 11.0558 11.0558 11.3488 11.3488 11.6872 11.6872 13.0687 13.0687 13.3319 13.3319 13.4742 13.4742 13.9378 13.9378 14.3504 14.3504 14.6461 14.6461 16.3367 16.3367 k = 0.3910 0.4774 0.8024 ( 1274 PWs) bands (ev): 6.1229 6.1229 7.3594 7.3594 9.2155 9.2155 9.4495 9.4495 11.0817 11.0817 11.3538 11.3538 11.7323 11.7323 13.0809 13.0809 13.3102 13.3102 13.4579 13.4579 13.8442 13.8442 14.3545 14.3545 14.7025 14.7025 16.2320 16.2320 k = 0.3846 0.4885 0.8024 ( 1274 PWs) bands (ev): 6.1230 6.1230 7.3597 7.3597 9.2294 9.2294 9.4344 9.4344 11.1080 11.1080 11.3582 11.3582 11.7766 11.7766 13.0919 13.0919 13.2895 13.2895 13.4423 13.4423 13.7534 13.7534 14.3581 14.3581 14.7627 14.7627 16.1296 16.1296 k = 0.3782 0.4996 0.8024 ( 1282 PWs) bands (ev): 6.1231 6.1231 7.3602 7.3602 9.2429 9.2429 9.4195 9.4195 11.1344 11.1344 11.3615 11.3615 11.8189 11.8189 13.1016 13.1016 13.2699 13.2699 13.4272 13.4272 13.6673 13.6673 14.3611 14.3611 14.8268 14.8268 16.0291 16.0291 k = 0.3718 0.5107 0.8024 ( 1282 PWs) bands (ev): 6.1232 6.1232 7.3608 7.3608 9.2564 9.2564 9.4051 9.4051 11.1608 11.1608 11.3636 11.3636 11.8585 11.8585 13.1101 13.1101 13.2521 13.2521 13.4130 13.4130 13.5882 13.5882 14.3637 14.3637 14.8947 14.8947 15.9306 15.9306 k = 0.3654 0.5218 0.8024 ( 1282 PWs) bands (ev): 6.1233 6.1233 7.3614 7.3614 9.2694 9.2694 9.3911 9.3911 11.1869 11.1869 11.3640 11.3640 11.8939 11.8939 13.1170 13.1170 13.2361 13.2361 13.3996 13.3996 13.5181 13.5181 14.3656 14.3656 14.9661 14.9661 15.8339 15.8339 k = 0.3590 0.5329 0.8024 ( 1282 PWs) bands (ev): 6.1235 6.1235 7.3621 7.3621 9.2819 9.2819 9.3779 9.3779 11.2125 11.2125 11.3622 11.3622 11.9240 11.9240 13.1224 13.1224 13.2224 13.2224 13.3868 13.3868 13.4598 13.4598 14.3671 14.3671 15.0410 15.0410 15.7389 15.7389 k = 0.3526 0.5440 0.8024 ( 1282 PWs) bands (ev): 6.1236 6.1236 7.3629 7.3629 9.2937 9.2937 9.3655 9.3655 11.2372 11.2372 11.3578 11.3578 11.9475 11.9475 13.1262 13.1262 13.2112 13.2112 13.3736 13.3736 13.4161 13.4161 14.3682 14.3682 15.1193 15.1193 15.6454 15.6454 k = 0.3462 0.5551 0.8024 ( 1282 PWs) bands (ev): 6.1237 6.1237 7.3635 7.3635 9.3044 9.3044 9.3544 9.3544 11.2603 11.2603 11.3504 11.3504 11.9639 11.9639 13.1286 13.1286 13.2029 13.2029 13.3591 13.3591 13.3896 13.3896 14.3688 14.3688 15.2009 15.2009 15.5533 15.5533 k = 0.3397 0.5662 0.8024 ( 1286 PWs) bands (ev): 6.1238 6.1238 7.3639 7.3639 9.3130 9.3130 9.3455 9.3455 11.2801 11.2801 11.3406 11.3406 11.9729 11.9729 13.1298 13.1298 13.1977 13.1977 13.3473 13.3473 13.3767 13.3767 14.3691 14.3691 15.2854 15.2854 15.4625 15.4625 k = 0.3333 0.5774 0.8024 ( 1290 PWs) bands (ev): 6.1238 6.1238 7.3641 7.3641 9.3167 9.3167 9.3417 9.3417 11.2899 11.2899 11.3343 11.3343 11.9756 11.9756 13.1301 13.1301 13.1959 13.1959 13.3435 13.3435 13.3723 13.3723 14.3690 14.3690 15.3703 15.3703 15.3756 15.3756 k = 0.3333 0.5774 0.8024 ( 1290 PWs) bands (ev): 6.1238 6.1238 7.3641 7.3641 9.3167 9.3167 9.3417 9.3417 11.2899 11.2899 11.3343 11.3343 11.9756 11.9756 13.1301 13.1301 13.1959 13.1959 13.3435 13.3435 13.3723 13.3723 14.3690 14.3690 15.3703 15.3703 15.3756 15.3756 k = 0.3269 0.5662 0.8024 ( 1282 PWs) bands (ev): 6.1238 6.1238 7.3638 7.3638 9.3135 9.3135 9.3450 9.3450 11.2784 11.2784 11.3422 11.3422 11.9735 11.9735 13.1298 13.1298 13.1977 13.1977 13.3450 13.3450 13.3788 13.3788 14.3693 14.3693 15.2846 15.2846 15.4633 15.4633 k = 0.3205 0.5551 0.8024 ( 1278 PWs) bands (ev): 6.1237 6.1237 7.3631 7.3631 9.3074 9.3074 9.3515 9.3515 11.2512 11.2512 11.3576 11.3576 11.9686 11.9686 13.1286 13.1286 13.2030 13.2030 13.3454 13.3454 13.4007 13.4007 14.3693 14.3693 15.1974 15.1974 15.5562 15.5562 k = 0.3141 0.5440 0.8024 ( 1278 PWs) bands (ev): 6.1234 6.1234 7.3618 7.3618 9.3011 9.3011 9.3586 9.3586 11.2152 11.2152 11.3738 11.3738 11.9627 11.9627 13.1261 13.1261 13.2119 13.2119 13.3446 13.3446 13.4364 13.4364 14.3695 14.3695 15.1112 15.1112 15.6516 15.6516 k = 0.3077 0.5329 0.8024 ( 1274 PWs) bands (ev): 6.1231 6.1231 7.3596 7.3596 9.2954 9.2954 9.3654 9.3654 11.1723 11.1723 11.3892 11.3892 11.9575 11.9575 13.1221 13.1221 13.2244 13.2244 13.3441 13.3441 13.4830 13.4830 14.3701 14.3701 15.0261 15.0261 15.7492 15.7492 k = 0.3013 0.5218 0.8024 ( 1274 PWs) bands (ev): 6.1225 6.1225 7.3564 7.3564 9.2908 9.2908 9.3717 9.3717 11.1239 11.1239 11.4030 11.4030 11.9541 11.9541 13.1163 13.1163 13.2406 13.2406 13.3438 13.3438 13.5381 13.5381 14.3712 14.3712 14.9420 14.9420 15.8489 15.8489 k = 0.2949 0.5107 0.8024 ( 1274 PWs) bands (ev): 6.1217 6.1217 7.3521 7.3521 9.2873 9.2873 9.3774 9.3774 11.0713 11.0713 11.4153 11.4153 11.9529 11.9529 13.1086 13.1086 13.2600 13.2600 13.3443 13.3443 13.5999 13.5999 14.3731 14.3731 14.8591 14.8591 15.9506 15.9506 k = 0.2885 0.4996 0.8024 ( 1274 PWs) bands (ev): 6.1208 6.1208 7.3464 7.3464 9.2850 9.2850 9.3827 9.3827 11.0160 11.0160 11.4259 11.4259 11.9543 11.9543 13.0992 13.0992 13.2816 13.2816 13.3462 13.3462 13.6667 13.6667 14.3759 14.3759 14.7775 14.7775 16.0541 16.0541 k = 0.2821 0.4885 0.8024 ( 1270 PWs) bands (ev): 6.1195 6.1195 7.3392 7.3392 9.2841 9.2841 9.3875 9.3875 10.9593 10.9593 11.4350 11.4350 11.9582 11.9582 13.0879 13.0879 13.3021 13.3021 13.3522 13.3522 13.7373 13.7373 14.3800 14.3800 14.6974 14.6974 16.1591 16.1591 k = 0.2756 0.4774 0.8024 ( 1274 PWs) bands (ev): 6.1180 6.1180 7.3302 7.3302 9.2845 9.2845 9.3921 9.3921 10.9024 10.9024 11.4423 11.4423 11.9642 11.9642 13.0747 13.0747 13.3146 13.3146 13.3685 13.3685 13.8103 13.8103 14.3853 14.3853 14.6190 14.6190 16.2655 16.2655 k = 0.2692 0.4663 0.8024 ( 1270 PWs) bands (ev): 6.1162 6.1162 7.3193 7.3193 9.2864 9.2864 9.3965 9.3965 10.8467 10.8467 11.4481 11.4481 11.9721 11.9721 13.0598 13.0598 13.3172 13.3172 13.3962 13.3962 13.8847 13.8847 14.3921 14.3921 14.5430 14.5430 16.3731 16.3731 k = 0.2628 0.4552 0.8024 ( 1270 PWs) bands (ev): 6.1140 6.1140 7.3064 7.3064 9.2897 9.2897 9.4008 9.4008 10.7930 10.7930 11.4525 11.4525 11.9815 11.9815 13.0430 13.0430 13.3141 13.3141 13.4297 13.4297 13.9595 13.9595 14.4004 14.4004 14.4700 14.4700 16.4815 16.4815 k = 0.2564 0.4441 0.8024 ( 1270 PWs) bands (ev): 6.1115 6.1115 7.2912 7.2912 9.2944 9.2944 9.4052 9.4052 10.7424 10.7424 11.4556 11.4556 11.9924 11.9924 13.0245 13.0245 13.3076 13.3076 13.4654 13.4654 14.0339 14.0339 14.3999 14.3999 14.4117 14.4117 16.5907 16.5907 k = 0.2500 0.4330 0.8024 ( 1270 PWs) bands (ev): 6.1087 6.1087 7.2737 7.2737 9.3006 9.3006 9.4099 9.4099 10.6954 10.6954 11.4576 11.4576 12.0043 12.0043 13.0042 13.0042 13.2983 13.2983 13.5006 13.5006 14.1070 14.1070 14.3381 14.3381 14.4223 14.4223 16.7002 16.7002 k = 0.2436 0.4219 0.8024 ( 1266 PWs) bands (ev): 6.1054 6.1054 7.2537 7.2537 9.3083 9.3083 9.4150 9.4150 10.6529 10.6529 11.4586 11.4586 12.0171 12.0171 12.9821 12.9821 13.2863 13.2863 13.5322 13.5322 14.1780 14.1780 14.2843 14.2843 14.4355 14.4355 16.8098 16.8098 k = 0.2372 0.4108 0.8024 ( 1266 PWs) bands (ev): 6.1018 6.1018 7.2311 7.2311 9.3176 9.3176 9.4206 9.4206 10.6150 10.6150 11.4587 11.4587 12.0305 12.0305 12.9582 12.9582 13.2715 13.2715 13.5563 13.5563 14.2358 14.2358 14.2531 14.2531 14.4501 14.4501 16.9192 16.9192 k = 0.2308 0.3997 0.8024 ( 1262 PWs) bands (ev): 6.0977 6.0977 7.2060 7.2060 9.3284 9.3284 9.4269 9.4269 10.5824 10.5824 11.4582 11.4582 12.0445 12.0445 12.9324 12.9324 13.2541 13.2541 13.5679 13.5679 14.2163 14.2163 14.3130 14.3130 14.4663 14.4663 17.0280 17.0280 k = 0.2244 0.3886 0.8024 ( 1262 PWs) bands (ev): 6.0932 6.0932 7.1783 7.1783 9.3407 9.3407 9.4341 9.4341 10.5551 10.5551 11.4570 11.4570 12.0588 12.0588 12.9048 12.9048 13.2341 13.2341 13.5631 13.5631 14.2127 14.2127 14.3737 14.3737 14.4835 14.4835 17.1357 17.1357 k = 0.2179 0.3775 0.8024 ( 1258 PWs) bands (ev): 6.0882 6.0882 7.1481 7.1481 9.3547 9.3547 9.4423 9.4423 10.5335 10.5335 11.4555 11.4555 12.0733 12.0733 12.8754 12.8754 13.2115 13.2115 13.5404 13.5404 14.2314 14.2314 14.4301 14.4301 14.5017 14.5017 17.2420 17.2420 k = 0.2115 0.3664 0.8024 ( 1258 PWs) bands (ev): 6.0828 6.0828 7.1155 7.1155 9.3702 9.3702 9.4515 9.4515 10.5176 10.5176 11.4537 11.4537 12.0879 12.0879 12.8441 12.8441 13.1865 13.1865 13.5016 13.5016 14.2702 14.2702 14.4811 14.4811 14.5209 14.5209 17.3461 17.3461 k = 0.2051 0.3553 0.8024 ( 1254 PWs) bands (ev): 6.0771 6.0771 7.0806 7.0806 9.3872 9.3872 9.4621 9.4621 10.5075 10.5075 11.4519 11.4519 12.1025 12.1025 12.8112 12.8112 13.1591 13.1591 13.4505 13.4505 14.3255 14.3255 14.5254 14.5254 14.5422 14.5422 17.4475 17.4475 k = 0.1987 0.3442 0.8024 ( 1254 PWs) bands (ev): 6.0708 6.0708 7.0437 7.0437 9.4058 9.4058 9.4739 9.4739 10.5029 10.5029 11.4499 11.4499 12.1169 12.1169 12.7764 12.7764 13.1295 13.1295 13.3908 13.3908 14.3932 14.3932 14.5559 14.5559 14.5723 14.5723 17.5456 17.5456 k = 0.1923 0.3331 0.8024 ( 1254 PWs) bands (ev): 6.0642 6.0642 7.0049 7.0049 9.4259 9.4259 9.4872 9.4872 10.5039 10.5039 11.4481 11.4481 12.1311 12.1311 12.7399 12.7399 13.0978 13.0978 13.3253 13.3253 14.4698 14.4698 14.5783 14.5783 14.6057 14.6057 17.6397 17.6397 k = 0.1859 0.3220 0.8024 ( 1262 PWs) bands (ev): 6.0572 6.0572 6.9644 6.9644 9.4474 9.4474 9.5020 9.5020 10.5102 10.5102 11.4464 11.4464 12.1448 12.1448 12.7017 12.7017 13.0639 13.0639 13.2560 13.2560 14.5492 14.5492 14.6034 14.6034 14.6354 14.6354 17.7289 17.7289 k = 0.1795 0.3109 0.8024 ( 1266 PWs) bands (ev): 6.0499 6.0499 6.9226 6.9226 9.4704 9.4704 9.5183 9.5183 10.5217 10.5217 11.4451 11.4451 12.1581 12.1581 12.6618 12.6618 13.0281 13.0281 13.1845 13.1845 14.6024 14.6024 14.6457 14.6457 14.6747 14.6747 17.8125 17.8125 k = 0.1731 0.2998 0.8024 ( 1262 PWs) bands (ev): 6.0422 6.0422 6.8797 6.8797 9.4951 9.4951 9.5364 9.5364 10.5384 10.5384 11.4443 11.4443 12.1710 12.1710 12.6205 12.6205 12.9899 12.9899 13.1122 13.1122 14.6267 14.6267 14.6689 14.6689 14.7616 14.7616 17.8898 17.8898 k = 0.1667 0.2887 0.8024 ( 1262 PWs) bands (ev): 6.0343 6.0343 6.8359 6.8359 9.5211 9.5211 9.5561 9.5561 10.5595 10.5595 11.4440 11.4440 12.1832 12.1832 12.5776 12.5776 12.9484 12.9484 13.0408 13.0408 14.6461 14.6461 14.6811 14.6811 14.8634 14.8634 17.9601 17.9601 k = 0.1603 0.2776 0.8024 ( 1266 PWs) bands (ev): 6.0260 6.0260 6.7916 6.7916 9.5486 9.5486 9.5775 9.5775 10.5850 10.5850 11.4443 11.4443 12.1945 12.1945 12.5333 12.5333 12.9009 12.9009 12.9733 12.9733 14.6639 14.6639 14.6871 14.6871 14.9712 14.9712 18.0229 18.0229 k = 0.1538 0.2665 0.8024 ( 1266 PWs) bands (ev): 6.0176 6.0176 6.7470 6.7470 9.5775 9.5775 9.6006 9.6006 10.6146 10.6146 11.4453 11.4453 12.2049 12.2049 12.4879 12.4879 12.8437 12.8437 12.9144 12.9144 14.6807 14.6807 14.6880 14.6880 15.0838 15.0838 18.0779 18.0779 k = 0.1474 0.2554 0.8024 ( 1262 PWs) bands (ev): 6.0090 6.0090 6.7024 6.7024 9.6078 9.6078 9.6257 9.6257 10.6481 10.6481 11.4469 11.4469 12.2140 12.2140 12.4417 12.4417 12.7766 12.7766 12.8644 12.8644 14.6839 14.6839 14.6970 14.6970 15.2005 15.2005 18.1249 18.1249 k = 0.1410 0.2443 0.8024 ( 1270 PWs) bands (ev): 6.0003 6.0003 6.6581 6.6581 9.6393 9.6393 9.6522 9.6522 10.6848 10.6848 11.4494 11.4494 12.2214 12.2214 12.3947 12.3947 12.7041 12.7041 12.8192 12.8192 14.6755 14.6755 14.7121 14.7121 15.3211 15.3211 18.1641 18.1641 k = 0.1346 0.2332 0.8024 ( 1274 PWs) bands (ev): 5.9915 5.9915 6.6141 6.6141 9.6718 9.6718 9.6804 9.6804 10.7248 10.7248 11.4527 11.4527 12.2259 12.2259 12.3486 12.3486 12.6296 12.6296 12.7761 12.7761 14.6630 14.6630 14.7264 14.7264 15.4452 15.4452 18.1957 18.1957 k = 0.1282 0.2221 0.8024 ( 1270 PWs) bands (ev): 5.9828 5.9828 6.5710 6.5710 9.7055 9.7055 9.7105 9.7105 10.7677 10.7677 11.4569 11.4569 12.2241 12.2241 12.3070 12.3070 12.5543 12.5543 12.7341 12.7341 14.6470 14.6470 14.7399 14.7399 15.5727 15.5727 18.2205 18.2205 k = 0.1218 0.2110 0.8024 ( 1270 PWs) bands (ev): 5.9740 5.9740 6.5287 6.5287 9.7395 9.7395 9.7430 9.7430 10.8132 10.8132 11.4619 11.4619 12.2057 12.2057 12.2795 12.2795 12.4792 12.4792 12.6926 12.6926 14.6278 14.6278 14.7526 14.7526 15.7033 15.7033 18.2391 18.2391 k = 0.1154 0.1999 0.8024 ( 1266 PWs) bands (ev): 5.9653 5.9653 6.4875 6.4875 9.7731 9.7731 9.7783 9.7783 10.8610 10.8610 11.4677 11.4677 12.1672 12.1672 12.2700 12.2700 12.4046 12.4046 12.6516 12.6516 14.6058 14.6058 14.7645 14.7645 15.8371 15.8371 18.2523 18.2523 k = 0.1090 0.1887 0.8024 ( 1262 PWs) bands (ev): 5.9568 5.9568 6.4477 6.4477 9.8074 9.8074 9.8153 9.8153 10.9106 10.9106 11.4745 11.4745 12.1195 12.1195 12.2667 12.2667 12.3319 12.3319 12.6110 12.6110 14.5814 14.5814 14.7757 14.7757 15.9736 15.9736 18.2608 18.2608 k = 0.1026 0.1776 0.8024 ( 1258 PWs) bands (ev): 5.9485 5.9485 6.4093 6.4093 9.8428 9.8428 9.8532 9.8532 10.9619 10.9619 11.4824 11.4824 12.0686 12.0686 12.2474 12.2474 12.2772 12.2772 12.5711 12.5711 14.5551 14.5551 14.7860 14.7860 16.1129 16.1129 18.2656 18.2656 k = 0.0962 0.1665 0.8024 ( 1260 PWs) bands (ev): 5.9403 5.9403 6.3725 6.3725 9.8792 9.8792 9.8919 9.8919 11.0143 11.0143 11.4909 11.4909 12.0163 12.0163 12.1814 12.1814 12.2698 12.2698 12.5318 12.5318 14.5272 14.5272 14.7955 14.7955 16.2546 16.2546 18.2674 18.2674 k = 0.0897 0.1554 0.8024 ( 1256 PWs) bands (ev): 5.9325 5.9325 6.3376 6.3376 9.9164 9.9164 9.9311 9.9311 11.0677 11.0677 11.5003 11.5003 11.9635 11.9635 12.1115 12.1115 12.2666 12.2666 12.4935 12.4935 14.4984 14.4984 14.8044 14.8044 16.3987 16.3987 18.2667 18.2667 k = 0.0833 0.1443 0.8024 ( 1260 PWs) bands (ev): 5.9249 5.9249 6.3045 6.3045 9.9543 9.9543 9.9707 9.9707 11.1214 11.1214 11.5104 11.5104 11.9106 11.9106 12.0427 12.0427 12.2624 12.2624 12.4563 12.4563 14.4688 14.4688 14.8124 14.8124 16.5449 16.5449 18.2643 18.2643 k = 0.0769 0.1332 0.8024 ( 1264 PWs) bands (ev): 5.9178 5.9178 6.2734 6.2734 9.9925 9.9925 10.0105 10.0105 11.1753 11.1753 11.5212 11.5212 11.8578 11.8578 11.9758 11.9758 12.2564 12.2564 12.4204 12.4204 14.4391 14.4391 14.8197 14.8197 16.6930 16.6930 18.2607 18.2607 k = 0.0705 0.1221 0.8024 ( 1264 PWs) bands (ev): 5.9110 5.9110 6.2445 6.2445 10.0308 10.0308 10.0503 10.0503 11.2289 11.2289 11.5327 11.5327 11.8057 11.8057 11.9113 11.9113 12.2484 12.2484 12.3862 12.3862 14.4097 14.4097 14.8264 14.8264 16.8426 16.8426 18.2563 18.2563 k = 0.0641 0.1110 0.8024 ( 1256 PWs) bands (ev): 5.9047 5.9047 6.2178 6.2178 10.0689 10.0689 10.0899 10.0899 11.2818 11.2818 11.5450 11.5450 11.7547 11.7547 11.8497 11.8497 12.2382 12.2382 12.3542 12.3542 14.3810 14.3810 14.8326 14.8326 16.9934 16.9934 18.2515 18.2515 k = 0.0577 0.0999 0.8024 ( 1258 PWs) bands (ev): 5.8989 5.8989 6.1934 6.1934 10.1062 10.1062 10.1289 10.1289 11.3330 11.3330 11.5573 11.5573 11.7049 11.7049 11.7913 11.7913 12.2254 12.2254 12.3247 12.3247 14.3534 14.3534 14.8380 14.8380 17.1447 17.1447 18.2468 18.2468 k = 0.0513 0.0888 0.8024 ( 1262 PWs) bands (ev): 5.8936 5.8936 6.1713 6.1713 10.1422 10.1422 10.1668 10.1668 11.3823 11.3823 11.5698 11.5698 11.6571 11.6571 11.7370 11.7370 12.2099 12.2099 12.2980 12.2980 14.3273 14.3273 14.8427 14.8427 17.2958 17.2958 18.2425 18.2425 k = 0.0449 0.0777 0.8024 ( 1254 PWs) bands (ev): 5.8889 5.8889 6.1518 6.1518 10.1765 10.1765 10.2033 10.2033 11.4285 11.4285 11.5809 11.5809 11.6137 11.6137 11.6875 11.6875 12.1922 12.1922 12.2746 12.2746 14.3033 14.3033 14.8469 14.8469 17.4456 17.4456 18.2390 18.2390 k = 0.0385 0.0666 0.8024 ( 1250 PWs) bands (ev): 5.8847 5.8847 6.1347 6.1347 10.2084 10.2084 10.2375 10.2375 11.4697 11.4697 11.5661 11.5661 11.5994 11.5994 11.6443 11.6443 12.1732 12.1732 12.2541 12.2541 14.2815 14.2815 14.8505 14.8505 17.5923 17.5923 18.2370 18.2370 k = 0.0321 0.0555 0.8024 ( 1250 PWs) bands (ev): 5.8812 5.8812 6.1202 6.1202 10.2371 10.2371 10.2688 10.2688 11.4977 11.4977 11.5383 11.5383 11.5945 11.5945 11.6227 11.6227 12.1537 12.1537 12.2363 12.2363 14.2624 14.2624 14.8535 14.8535 17.7330 17.7330 18.2372 18.2372 k = 0.0256 0.0444 0.8024 ( 1250 PWs) bands (ev): 5.8782 5.8782 6.1082 6.1082 10.2620 10.2620 10.2963 10.2963 11.4838 11.4838 11.5487 11.5487 11.5662 11.5662 11.6332 11.6332 12.1353 12.1353 12.2211 12.2211 14.2463 14.2463 14.8560 14.8560 17.8631 17.8631 18.2413 18.2413 k = 0.0192 0.0333 0.8024 ( 1248 PWs) bands (ev): 5.8759 5.8759 6.0989 6.0989 10.2823 10.2823 10.3191 10.3191 11.4583 11.4583 11.5390 11.5390 11.5707 11.5707 11.6479 11.6479 12.1190 12.1190 12.2085 12.2085 14.2336 14.2336 14.8579 14.8579 17.9740 17.9740 18.2526 18.2526 k = 0.0128 0.0222 0.8024 ( 1248 PWs) bands (ev): 5.8743 5.8743 6.0923 6.0923 10.2974 10.2974 10.3362 10.3362 11.4379 11.4379 11.5199 11.5199 11.5854 11.5854 11.6616 11.6616 12.1062 12.1062 12.1990 12.1990 14.2242 14.2242 14.8592 14.8592 18.0541 18.0541 18.2748 18.2748 k = 0.0064 0.0111 0.8024 ( 1246 PWs) bands (ev): 5.8733 5.8733 6.0882 6.0882 10.3067 10.3067 10.3469 10.3469 11.4250 11.4250 11.5081 11.5081 11.5939 11.5939 11.6715 11.6715 12.0980 12.0980 12.1932 12.1932 14.2186 14.2186 14.8600 14.8600 18.0968 18.0968 18.3023 18.3023 k = 0.0000 0.0000 0.8024 ( 1246 PWs) bands (ev): 5.8729 5.8729 6.0869 6.0869 10.3099 10.3099 10.3505 10.3505 11.4206 11.4206 11.5041 11.5041 11.5966 11.5966 11.6750 11.6750 12.0951 12.0951 12.1911 12.1911 14.2167 14.2167 14.8603 14.8603 18.1090 18.1090 18.3154 18.3154 k = 0.5000 0.2887 0.8024 ( 1268 PWs) bands (ev): 6.1242 6.1242 7.3667 7.3667 9.0675 9.0675 9.6237 9.6237 10.8211 10.8211 11.2380 11.2380 11.2982 11.2982 12.8980 12.8980 13.5817 13.5817 13.6619 13.6619 14.2270 14.2270 14.2787 14.2787 14.9304 14.9304 17.2369 17.2369 k = 0.5000 0.2887 0.7896 ( 1272 PWs) bands (ev): 6.1070 6.1070 7.3845 7.3845 9.0678 9.0678 9.6171 9.6171 10.8254 10.8254 11.2375 11.2375 11.2980 11.2980 12.8982 12.8982 13.5840 13.5840 13.6618 13.6618 14.2227 14.2227 14.2790 14.2790 14.9271 14.9271 17.2448 17.2448 k = 0.5000 0.2887 0.7769 ( 1272 PWs) bands (ev): 6.0581 6.0581 7.4351 7.4351 9.0693 9.0693 9.5978 9.5978 10.8379 10.8379 11.2361 11.2361 11.2974 11.2974 12.8997 12.8997 13.5909 13.5909 13.6616 13.6616 14.2104 14.2104 14.2797 14.2797 14.9173 14.9173 17.2683 17.2683 k = 0.5000 0.2887 0.7642 ( 1272 PWs) bands (ev): 5.9840 5.9840 7.5120 7.5120 9.0717 9.0717 9.5666 9.5666 10.8579 10.8579 11.2337 11.2337 11.2964 11.2964 12.9022 12.9022 13.6025 13.6025 13.6612 13.6612 14.1914 14.1914 14.2799 14.2799 14.9012 14.9012 17.3067 17.3067 k = 0.5000 0.2887 0.7514 ( 1278 PWs) bands (ev): 5.8918 5.8918 7.6080 7.6080 9.0750 9.0750 9.5246 9.5246 10.8841 10.8841 11.2304 11.2304 11.2950 11.2950 12.9055 12.9055 13.6184 13.6184 13.6607 13.6607 14.1664 14.1664 14.2791 14.2791 14.8787 14.8787 17.3518 17.3518 k = 0.5000 0.2887 0.7387 ( 1278 PWs) bands (ev): 5.7872 5.7872 7.7173 7.7173 9.0793 9.0793 9.4733 9.4733 10.9152 10.9152 11.2262 11.2262 11.2933 11.2933 12.9100 12.9100 13.6385 13.6385 13.6606 13.6606 14.1364 14.1364 14.2773 14.2773 14.8503 14.8503 17.2561 17.2561 k = 0.5000 0.2887 0.7260 ( 1282 PWs) bands (ev): 5.6745 5.6745 7.8355 7.8355 9.0844 9.0844 9.4140 9.4140 10.9501 10.9501 11.2212 11.2212 11.2914 11.2914 12.9154 12.9154 13.6549 13.6549 13.6682 13.6682 14.1019 14.1019 14.2747 14.2747 14.8164 14.8164 17.1185 17.1185 k = 0.5000 0.2887 0.7132 ( 1282 PWs) bands (ev): 5.5565 5.5565 7.9595 7.9595 9.0904 9.0904 9.3481 9.3481 10.9874 10.9874 11.2152 11.2152 11.2893 11.2893 12.9217 12.9217 13.6558 13.6558 13.6956 13.6956 14.0637 14.0637 14.2712 14.2712 14.7775 14.7775 16.9787 16.9787 k = 0.5000 0.2887 0.7005 ( 1278 PWs) bands (ev): 5.4353 5.4353 8.0872 8.0872 9.0974 9.0974 9.2767 9.2767 11.0263 11.0263 11.2086 11.2086 11.2870 11.2870 12.9291 12.9291 13.6548 13.6548 13.7288 13.7288 14.0226 14.0226 14.2670 14.2670 14.7340 14.7340 16.8387 16.8387 k = 0.5000 0.2887 0.6878 ( 1278 PWs) bands (ev): 5.3122 5.3122 8.2168 8.2168 9.1047 9.1047 9.2010 9.2010 11.0655 11.0655 11.2016 11.2016 11.2847 11.2847 12.9373 12.9373 13.6532 13.6532 13.7656 13.7656 13.9794 13.9794 14.2621 14.2621 14.6869 14.6869 16.6995 16.6995 k = 0.5000 0.2887 0.6750 ( 1278 PWs) bands (ev): 5.1882 5.1882 8.3471 8.3471 9.1051 9.1051 9.1291 9.1291 11.1039 11.1039 11.1947 11.1947 11.2825 11.2825 12.9464 12.9464 13.6514 13.6514 13.8050 13.8050 13.9348 13.9348 14.2567 14.2567 14.6375 14.6375 16.5618 16.5618 k = 0.5000 0.2887 0.6623 ( 1278 PWs) bands (ev): 5.0639 5.0639 8.4771 8.4771 9.0342 9.0342 9.1263 9.1263 11.1384 11.1384 11.1906 11.1906 11.2805 11.2805 12.9563 12.9563 13.6492 13.6492 13.8435 13.8435 13.8914 13.8914 14.2508 14.2508 14.5879 14.5879 16.4258 16.4258 k = 0.5000 0.2887 0.6496 ( 1278 PWs) bands (ev): 4.9399 4.9399 8.6056 8.6056 8.9491 8.9491 9.1360 9.1360 11.1562 11.1562 11.2014 11.2014 11.2789 11.2789 12.9671 12.9671 13.6467 13.6467 13.8376 13.8376 13.8908 13.8908 14.2445 14.2445 14.5409 14.5409 16.2919 16.2919 k = 0.5000 0.2887 0.6368 ( 1274 PWs) bands (ev): 4.8167 4.8167 8.7304 8.7304 8.8630 8.8630 9.1471 9.1471 11.1531 11.1531 11.2309 11.2309 11.2783 11.2783 12.9788 12.9788 13.6435 13.6435 13.7939 13.7939 13.9229 13.9229 14.2380 14.2380 14.5018 14.5018 16.1601 16.1601 k = 0.5000 0.2887 0.6241 ( 1270 PWs) bands (ev): 4.6945 4.6945 8.7641 8.7641 8.8634 8.8634 9.1592 9.1592 11.1439 11.1439 11.2609 11.2609 11.2818 11.2818 12.9910 12.9910 13.6389 13.6389 13.7500 13.7500 13.9444 13.9444 14.2308 14.2308 14.4779 14.4779 16.0307 16.0307 k = 0.5000 0.2887 0.6113 ( 1266 PWs) bands (ev): 4.5735 4.5735 8.6757 8.6757 8.9807 8.9807 9.1723 9.1723 11.1328 11.1328 11.2723 11.2723 11.3044 11.3044 13.0039 13.0039 13.6312 13.6312 13.7098 13.7098 13.9464 13.9464 14.2225 14.2225 14.4779 14.4779 15.9037 15.9037 k = 0.5000 0.2887 0.5986 ( 1262 PWs) bands (ev): 4.4541 4.4541 8.5833 8.5833 9.0955 9.0955 9.1875 9.1875 11.1208 11.1208 11.2750 11.2750 11.3352 11.3352 13.0173 13.0173 13.6154 13.6154 13.6786 13.6786 13.9249 13.9249 14.2132 14.2132 14.5060 14.5060 15.7792 15.7792 k = 0.5000 0.2887 0.5859 ( 1262 PWs) bands (ev): 4.3362 4.3362 8.4897 8.4897 9.1846 9.1846 9.2246 9.2246 11.1081 11.1081 11.2778 11.2778 11.3652 11.3652 13.0314 13.0314 13.5868 13.5868 13.6613 13.6613 13.8822 13.8822 14.2034 14.2034 14.5601 14.5601 15.6572 15.6572 k = 0.5000 0.2887 0.5731 ( 1262 PWs) bands (ev): 4.2201 4.2201 8.3955 8.3955 9.2082 9.2082 9.3227 9.3227 11.0950 11.0950 11.2819 11.2819 11.3933 11.3933 13.0459 13.0459 13.5507 13.5507 13.6527 13.6527 13.8241 13.8241 14.1935 14.1935 14.6346 14.6346 15.5377 15.5377 k = 0.5000 0.2887 0.5604 ( 1266 PWs) bands (ev): 4.1059 4.1059 8.3009 8.3009 9.2239 9.2239 9.4233 9.4233 11.0815 11.0815 11.2875 11.2875 11.4191 11.4191 13.0608 13.0608 13.5130 13.5130 13.6470 13.6470 13.7565 13.7565 14.1836 14.1836 14.7245 14.7245 15.4209 15.4209 k = 0.5000 0.2887 0.5477 ( 1270 PWs) bands (ev): 3.9937 3.9937 8.2063 8.2063 9.2392 9.2392 9.5183 9.5183 11.0678 11.0678 11.2953 11.2953 11.4423 11.4423 13.0761 13.0761 13.4759 13.4759 13.6377 13.6377 13.6877 13.6877 14.1737 14.1737 14.8266 14.8266 15.3066 15.3066 k = 0.5000 0.2887 0.5349 ( 1270 PWs) bands (ev): 3.8835 3.8835 8.1117 8.1117 9.2547 9.2547 9.6069 9.6069 11.0539 11.0539 11.3054 11.3054 11.4628 11.4628 13.0916 13.0916 13.4403 13.4403 13.5899 13.5899 13.6545 13.6545 14.1637 14.1637 14.9383 14.9383 15.1956 15.1956 k = 0.5000 0.2887 0.5222 ( 1270 PWs) bands (ev): 3.7754 3.7754 8.0174 8.0174 9.2703 9.2703 9.6882 9.6882 11.0400 11.0400 11.3180 11.3180 11.4804 11.4804 13.1072 13.1072 13.4065 13.4065 13.5127 13.5127 13.6494 13.6494 14.1536 14.1536 15.0493 15.0493 15.0964 15.0964 k = 0.5000 0.2887 0.5095 ( 1270 PWs) bands (ev): 3.6696 3.6696 7.9237 7.9237 9.2859 9.2859 9.7620 9.7620 11.0261 11.0261 11.3334 11.3334 11.4951 11.4951 13.1229 13.1229 13.3729 13.3729 13.4335 13.4335 13.6480 13.6480 14.1435 14.1435 14.9762 14.9762 15.1916 15.1916 k = 0.5000 0.2887 0.4967 ( 1270 PWs) bands (ev): 3.5660 3.5660 7.8306 7.8306 9.3017 9.3017 9.8279 9.8279 11.0125 11.0125 11.3515 11.3515 11.5066 11.5066 13.1384 13.1384 13.3274 13.3274 13.3681 13.3681 13.6480 13.6480 14.1333 14.1333 14.8731 14.8731 15.3258 15.3258 k = 0.5000 0.2887 0.4840 ( 1270 PWs) bands (ev): 3.4646 3.4646 7.7383 7.7383 9.3173 9.3173 9.8858 9.8858 10.9991 10.9991 11.3723 11.3723 11.5149 11.5149 13.1537 13.1537 13.2539 13.2539 13.3341 13.3341 13.6489 13.6489 14.1230 14.1230 14.7719 14.7719 15.4663 15.4663 k = 0.5000 0.2887 0.4712 ( 1260 PWs) bands (ev): 3.3657 3.3657 7.6471 7.6471 9.3329 9.3329 9.9360 9.9360 10.9863 10.9863 11.3958 11.3958 11.5201 11.5201 13.1657 13.1657 13.1767 13.1767 13.3112 13.3112 13.6507 13.6507 14.1129 14.1129 14.6731 14.6731 15.6115 15.6115 k = 0.5000 0.2887 0.4585 ( 1260 PWs) bands (ev): 3.2691 3.2691 7.5569 7.5569 9.3482 9.3482 9.9781 9.9781 10.9740 10.9740 11.4213 11.4213 11.5220 11.5220 13.0928 13.0928 13.1842 13.1842 13.2927 13.2927 13.6533 13.6533 14.1026 14.1026 14.5767 14.5767 15.7598 15.7598 k = 0.5000 0.2887 0.4458 ( 1264 PWs) bands (ev): 3.1749 3.1749 7.4680 7.4680 9.3631 9.3631 10.0126 10.0126 10.9622 10.9622 11.4485 11.4485 11.5209 11.5209 13.0147 13.0147 13.1979 13.1979 13.2781 13.2781 13.6568 13.6568 14.0922 14.0922 14.4828 14.4828 15.9095 15.9095 k = 0.5000 0.2887 0.4330 ( 1260 PWs) bands (ev): 3.0832 3.0832 7.3805 7.3805 9.3776 9.3776 10.0400 10.0400 10.9513 10.9513 11.4762 11.4762 11.5174 11.5174 12.9394 12.9394 13.2110 13.2110 13.2672 13.2672 13.6615 13.6615 14.0819 14.0819 14.3914 14.3914 16.0582 16.0582 k = 0.5000 0.2887 0.4203 ( 1266 PWs) bands (ev): 2.9939 2.9939 7.2944 7.2944 9.3915 9.3915 10.0608 10.0608 10.9412 10.9412 11.4991 11.4991 11.5158 11.5158 12.8673 12.8673 13.2226 13.2226 13.2600 13.2600 13.6671 13.6671 14.0715 14.0715 14.3024 14.3024 16.2030 16.2030 k = 0.5000 0.2887 0.4076 ( 1266 PWs) bands (ev): 2.9071 2.9071 7.2100 7.2100 9.4049 9.4049 10.0755 10.0755 10.9322 10.9322 11.4961 11.4961 11.5368 11.5368 12.7996 12.7996 13.2320 13.2320 13.2575 13.2575 13.6739 13.6739 14.0610 14.0610 14.2161 14.2161 16.3406 16.3406 k = 0.5000 0.2887 0.3948 ( 1262 PWs) bands (ev): 2.8228 2.8228 7.1272 7.1272 9.4176 9.4176 10.0849 10.0849 10.9243 10.9243 11.4842 11.4842 11.5627 11.5627 12.7369 12.7369 13.2381 13.2381 13.2603 13.2603 13.6818 13.6818 14.0501 14.0501 14.1328 14.1328 16.4668 16.4668 k = 0.5000 0.2887 0.3821 ( 1262 PWs) bands (ev): 2.7411 2.7411 7.0463 7.0463 9.4294 9.4294 10.0893 10.0893 10.9177 10.9177 11.4692 11.4692 11.5865 11.5865 12.6801 12.6801 13.2419 13.2419 13.2671 13.2671 13.6908 13.6908 14.0315 14.0315 14.0596 14.0596 16.5779 16.5779 k = 0.5000 0.2887 0.3694 ( 1262 PWs) bands (ev): 2.6620 2.6620 6.9672 6.9672 9.4404 9.4404 10.0893 10.0893 10.9124 10.9124 11.4520 11.4520 11.6067 11.6067 12.6300 12.6300 13.2459 13.2459 13.2753 13.2753 13.7009 13.7009 13.9660 13.9660 14.0356 14.0356 16.6713 16.6713 k = 0.5000 0.2887 0.3566 ( 1260 PWs) bands (ev): 2.5854 2.5854 6.8901 6.8901 9.4505 9.4505 10.0856 10.0856 10.9085 10.9085 11.4328 11.4328 11.6223 11.6223 12.5877 12.5877 13.2508 13.2508 13.2838 13.2838 13.7121 13.7121 13.8902 13.8902 14.0244 14.0244 16.7460 16.7460 k = 0.5000 0.2887 0.3439 ( 1256 PWs) bands (ev): 2.5114 2.5114 6.8151 6.8151 9.4595 9.4595 10.0785 10.0785 10.9061 10.9061 11.4120 11.4120 11.6322 11.6322 12.5536 12.5536 13.2569 13.2569 13.2924 13.2924 13.7241 13.7241 13.8159 13.8159 14.0144 14.0144 16.8034 16.8034 k = 0.5000 0.2887 0.3311 ( 1256 PWs) bands (ev): 2.4400 2.4400 6.7421 6.7421 9.4675 9.4675 10.0685 10.0685 10.9053 10.9053 11.3898 11.3898 11.6357 11.6357 12.5283 12.5283 13.2635 13.2635 13.3011 13.3011 13.7328 13.7328 13.7478 13.7478 14.0047 14.0047 16.8457 16.8457 k = 0.5000 0.2887 0.3184 ( 1260 PWs) bands (ev): 2.3712 2.3712 6.6714 6.6714 9.4744 9.4744 10.0559 10.0559 10.9060 10.9060 11.3663 11.3663 11.6326 11.6326 12.5118 12.5118 13.2701 13.2701 13.3103 13.3103 13.6719 13.6719 13.7524 13.7524 13.9953 13.9953 16.8759 16.8759 k = 0.5000 0.2887 0.3057 ( 1258 PWs) bands (ev): 2.3051 2.3051 6.6030 6.6030 9.4802 9.4802 10.0412 10.0412 10.9083 10.9083 11.3423 11.3423 11.6232 11.6232 12.5040 12.5040 13.2761 13.2761 13.3205 13.3205 13.6043 13.6043 13.7667 13.7667 13.9860 13.9860 16.8968 16.8968 k = 0.5000 0.2887 0.2929 ( 1250 PWs) bands (ev): 2.2416 2.2416 6.5369 6.5369 9.4850 9.4850 10.0247 10.0247 10.9123 10.9123 11.3176 11.3176 11.6083 11.6083 12.5040 12.5040 13.2811 13.2811 13.3318 13.3318 13.5393 13.5393 13.7819 13.7819 13.9771 13.9771 16.9105 16.9105 k = 0.5000 0.2887 0.2802 ( 1250 PWs) bands (ev): 2.1807 2.1807 6.4732 6.4732 9.4887 9.4887 10.0067 10.0067 10.9178 10.9178 11.2926 11.2926 11.5886 11.5886 12.5104 12.5104 13.2846 13.2846 13.3434 13.3434 13.4775 13.4775 13.7973 13.7973 13.9683 13.9683 16.9189 16.9189 k = 0.5000 0.2887 0.2675 ( 1250 PWs) bands (ev): 2.1225 2.1225 6.4119 6.4119 9.4914 9.4914 9.9875 9.9875 10.9248 10.9248 11.2673 11.2673 11.5653 11.5653 12.5223 12.5223 13.2865 13.2865 13.3521 13.3521 13.4225 13.4225 13.8129 13.8129 13.9598 13.9598 16.9232 16.9232 k = 0.5000 0.2887 0.2547 ( 1250 PWs) bands (ev): 2.0669 2.0669 6.3531 6.3531 9.4930 9.4930 9.9673 9.9673 10.9332 10.9332 11.2421 11.2421 11.5395 11.5395 12.5385 12.5385 13.2851 13.2851 13.3390 13.3390 13.3949 13.3949 13.8284 13.8284 13.9517 13.9517 16.9246 16.9246 k = 0.5000 0.2887 0.2420 ( 1254 PWs) bands (ev): 2.0140 2.0140 6.2969 6.2969 9.4938 9.4938 9.9464 9.9464 10.9429 10.9429 11.2170 11.2170 11.5121 11.5121 12.5577 12.5577 13.2686 13.2686 13.3087 13.3087 13.4018 13.4018 13.8434 13.8434 13.9439 13.9439 16.9236 16.9236 k = 0.5000 0.2887 0.2293 ( 1258 PWs) bands (ev): 1.9638 1.9638 6.2433 6.2433 9.4937 9.4937 9.9251 9.9251 10.9538 10.9538 11.1925 11.1925 11.4840 11.4840 12.5790 12.5790 13.2248 13.2248 13.3002 13.3002 13.4162 13.4162 13.8577 13.8577 13.9371 13.9371 16.9210 16.9210 k = 0.5000 0.2887 0.2165 ( 1254 PWs) bands (ev): 1.9163 1.9163 6.1924 6.1924 9.4930 9.4930 9.9037 9.9037 10.9658 10.9658 11.1685 11.1685 11.4561 11.4561 12.6019 12.6019 13.1747 13.1747 13.2984 13.2984 13.4324 13.4324 13.8703 13.8703 13.9319 13.9319 16.9172 16.9172 k = 0.5000 0.2887 0.2038 ( 1254 PWs) bands (ev): 1.8715 1.8715 6.1442 6.1442 9.4916 9.4916 9.8822 9.8822 10.9788 10.9788 11.1453 11.1453 11.4283 11.4283 12.6255 12.6255 13.1250 13.1250 13.2975 13.2975 13.4493 13.4493 13.8797 13.8797 13.9297 13.9297 16.9125 16.9125 k = 0.5000 0.2887 0.1910 ( 1254 PWs) bands (ev): 1.8294 1.8294 6.0987 6.0987 9.4896 9.4896 9.8610 9.8610 10.9924 10.9924 11.1229 11.1229 11.4014 11.4014 12.6494 12.6494 13.0769 13.0769 13.2967 13.2967 13.4663 13.4663 13.8838 13.8838 13.9326 13.9326 16.9072 16.9072 k = 0.5000 0.2887 0.1783 ( 1248 PWs) bands (ev): 1.7899 1.7899 6.0559 6.0559 9.4873 9.4873 9.8402 9.8402 11.0066 11.0066 11.1017 11.1017 11.3757 11.3757 12.6733 12.6733 13.0310 13.0310 13.2960 13.2960 13.4834 13.4834 13.8826 13.8827 13.9404 13.9404 16.9015 16.9015 k = 0.5000 0.2887 0.1656 ( 1258 PWs) bands (ev): 1.7532 1.7532 6.0160 6.0160 9.4845 9.4845 9.8200 9.8200 11.0208 11.0208 11.0814 11.0814 11.3512 11.3512 12.6962 12.6962 12.9872 12.9872 13.2950 13.2950 13.5002 13.5002 13.8781 13.8781 13.9507 13.9507 16.8956 16.8956 k = 0.5000 0.2887 0.1528 ( 1262 PWs) bands (ev): 1.7191 1.7191 5.9789 5.9789 9.4815 9.4815 9.8005 9.8005 11.0347 11.0347 11.0631 11.0631 11.3284 11.3284 12.7185 12.7185 12.9457 12.9457 13.2940 13.2940 13.5165 13.5165 13.8721 13.8721 13.9620 13.9620 16.8897 16.8897 k = 0.5000 0.2887 0.1401 ( 1264 PWs) bands (ev): 1.6878 1.6878 5.9446 5.9446 9.4784 9.4784 9.7820 9.7820 11.0393 11.0393 11.0553 11.0553 11.3069 11.3069 12.7398 12.7398 12.9069 12.9069 13.2931 13.2931 13.5326 13.5326 13.8656 13.8656 13.9733 13.9733 16.8839 16.8839 k = 0.5000 0.2887 0.1274 ( 1260 PWs) bands (ev): 1.6592 1.6592 5.9133 5.9133 9.4752 9.4752 9.7646 9.7646 11.0254 11.0254 11.0673 11.0673 11.2874 11.2874 12.7598 12.7598 12.8709 12.8709 13.2922 13.2922 13.5481 13.5481 13.8587 13.8587 13.9843 13.9843 16.8783 16.8783 k = 0.5000 0.2887 0.1146 ( 1262 PWs) bands (ev): 1.6333 1.6333 5.8849 5.8849 9.4721 9.4721 9.7484 9.7484 11.0106 11.0106 11.0809 11.0809 11.2696 11.2696 12.7782 12.7782 12.8376 12.8376 13.2913 13.2913 13.5629 13.5629 13.8518 13.8518 13.9945 13.9945 16.8729 16.8729 k = 0.5000 0.2887 0.1019 ( 1262 PWs) bands (ev): 1.6102 1.6102 5.8594 5.8594 9.4690 9.4690 9.7336 9.7336 10.9969 10.9969 11.0942 11.0942 11.2537 11.2537 12.7939 12.7939 12.8084 12.8084 13.2904 13.2904 13.5769 13.5769 13.8450 13.8450 14.0039 14.0039 16.8679 16.8679 k = 0.5000 0.2887 0.0892 ( 1262 PWs) bands (ev): 1.5897 1.5897 5.8368 5.8368 9.4662 9.4662 9.7203 9.7203 10.9846 10.9846 11.1066 11.1066 11.2397 11.2397 12.7791 12.7791 12.8113 12.8113 13.2896 13.2896 13.5899 13.5899 13.8383 13.8383 14.0124 14.0124 16.8634 16.8634 k = 0.5000 0.2887 0.0764 ( 1262 PWs) bands (ev): 1.5720 1.5720 5.8172 5.8172 9.4636 9.4636 9.7085 9.7085 10.9739 10.9739 11.1179 11.1179 11.2275 11.2275 12.7554 12.7554 12.8243 12.8243 13.2888 13.2888 13.6018 13.6018 13.8320 13.8320 14.0199 14.0199 16.8594 16.8594 k = 0.5000 0.2887 0.0637 ( 1270 PWs) bands (ev): 1.5570 1.5570 5.8007 5.8007 9.4613 9.4613 9.6984 9.6984 10.9644 10.9644 11.1279 11.1279 11.2170 11.2170 12.7349 12.7349 12.8357 12.8357 13.2880 13.2880 13.6122 13.6122 13.8262 13.8262 14.0264 14.0264 16.8559 16.8559 k = 0.5000 0.2887 0.0509 ( 1266 PWs) bands (ev): 1.5447 1.5447 5.7871 5.7871 9.4593 9.4593 9.6900 9.6900 10.9571 10.9571 11.1364 11.1364 11.2086 11.2086 12.7179 12.7179 12.8451 12.8451 13.2875 13.2875 13.6214 13.6214 13.8210 13.8210 14.0318 14.0318 16.8529 16.8529 k = 0.5000 0.2887 0.0382 ( 1266 PWs) bands (ev): 1.5352 1.5352 5.7765 5.7765 9.4578 9.4578 9.6834 9.6834 10.9512 10.9512 11.1432 11.1432 11.2020 11.2020 12.7045 12.7045 12.8525 12.8525 13.2870 13.2870 13.6289 13.6289 13.8166 13.8166 14.0359 14.0359 16.8506 16.8506 k = 0.5000 0.2887 0.0255 ( 1272 PWs) bands (ev): 1.5284 1.5284 5.7689 5.7689 9.4566 9.4566 9.6787 9.6787 10.9470 10.9470 11.1481 11.1481 11.1973 11.1973 12.6948 12.6948 12.8576 12.8576 13.2867 13.2867 13.6345 13.6345 13.8132 13.8132 14.0387 14.0387 16.8490 16.8490 k = 0.5000 0.2887 0.0127 ( 1278 PWs) bands (ev): 1.5243 1.5243 5.7644 5.7644 9.4559 9.4559 9.6758 9.6758 10.9444 10.9444 11.1511 11.1511 11.1943 11.1943 12.6889 12.6889 12.8608 12.8608 13.2865 13.2865 13.6379 13.6379 13.8110 13.8110 14.0403 14.0403 16.8479 16.8479 k = 0.5000 0.2887-0.0000 ( 1278 PWs) bands (ev): 1.5229 1.5229 5.7629 5.7629 9.4557 9.4557 9.6749 9.6749 10.9435 10.9435 11.1521 11.1521 11.1933 11.1933 12.6869 12.6869 12.8619 12.8619 13.2864 13.2864 13.6391 13.6391 13.8103 13.8103 14.0409 14.0409 16.8476 16.8476 k = 0.3333 0.5774-0.0000 ( 1254 PWs) bands (ev): 1.6911 1.6911 6.7943 6.7943 6.8291 6.8291 10.7962 10.7962 11.1300 11.1300 11.1434 11.1434 11.6172 11.6172 11.7127 11.7127 12.4980 12.4980 13.2727 13.2727 13.3317 13.3317 14.1117 14.1117 14.2591 14.2591 20.4335 20.4335 k = 0.3333 0.5774 0.0127 ( 1254 PWs) bands (ev): 1.6924 1.6924 6.7956 6.7956 6.8304 6.8304 10.7959 10.7959 11.1308 11.1308 11.1442 11.1442 11.6178 11.6178 11.7133 11.7133 12.4970 12.4970 13.2724 13.2724 13.3313 13.3313 14.1109 14.1109 14.2593 14.2593 20.4358 20.4358 k = 0.3333 0.5774 0.0255 ( 1245 PWs) bands (ev): 1.6964 1.6964 6.7996 6.7996 6.8344 6.8344 10.7950 10.7950 11.1333 11.1333 11.1469 11.1469 11.6198 11.6198 11.7150 11.7150 12.4942 12.4942 13.2714 13.2714 13.3302 13.3302 14.1086 14.1086 14.2600 14.2600 20.4428 20.4428 k = 0.3333 0.5774 0.0382 ( 1245 PWs) bands (ev): 1.7031 1.7031 6.8062 6.8062 6.8410 6.8410 10.7935 10.7935 11.1370 11.1370 11.1509 11.1509 11.6229 11.6229 11.7178 11.7178 12.4892 12.4892 13.2697 13.2697 13.3284 13.3284 14.1046 14.1046 14.2610 14.2610 20.4543 20.4543 k = 0.3333 0.5774 0.0509 ( 1251 PWs) bands (ev): 1.7125 1.7125 6.8154 6.8154 6.8503 6.8503 10.7912 10.7912 11.1421 11.1421 11.1564 11.1564 11.6274 11.6274 11.7218 11.7218 12.4823 12.4823 13.2671 13.2671 13.3256 13.3256 14.0990 14.0990 14.2623 14.2623 20.4704 20.4704 k = 0.3333 0.5774 0.0637 ( 1251 PWs) bands (ev): 1.7245 1.7245 6.8273 6.8273 6.8622 6.8622 10.7883 10.7883 11.1486 11.1486 11.1635 11.1635 11.6332 11.6332 11.7269 11.7269 12.4736 12.4736 13.2641 13.2641 13.3223 13.3223 14.0921 14.0921 14.2639 14.2639 20.4911 20.4911 k = 0.3333 0.5774 0.0764 ( 1251 PWs) bands (ev): 1.7392 1.7392 6.8418 6.8418 6.8767 6.8767 10.7846 10.7846 11.1564 11.1564 11.1720 11.1720 11.6404 11.6404 11.7333 11.7333 12.4631 12.4631 13.2605 13.2605 13.3183 13.3183 14.0840 14.0840 14.2658 14.2658 20.5162 20.5162 k = 0.3333 0.5774 0.0892 ( 1251 PWs) bands (ev): 1.7566 1.7566 6.8589 6.8589 6.8938 6.8938 10.7802 10.7802 11.1654 11.1654 11.1818 11.1818 11.6491 11.6491 11.7409 11.7409 12.4509 12.4509 13.2562 13.2562 13.3137 13.3137 14.0745 14.0745 14.2678 14.2678 20.5457 20.5457 k = 0.3333 0.5774 0.1019 ( 1248 PWs) bands (ev): 1.7766 1.7766 6.8785 6.8785 6.9134 6.9134 10.7750 10.7750 11.1756 11.1756 11.1931 11.1931 11.6592 11.6592 11.7499 11.7499 12.4371 12.4371 13.2515 13.2515 13.3085 13.3085 14.0638 14.0638 14.2700 14.2700 20.5797 20.5797 k = 0.3333 0.5774 0.1146 ( 1248 PWs) bands (ev): 1.7993 1.7993 6.9006 6.9006 6.9356 6.9356 10.7689 10.7689 11.1867 11.1867 11.2054 11.2054 11.6710 11.6710 11.7602 11.7602 12.4218 12.4218 13.2464 13.2464 13.3028 13.3028 14.0520 14.0520 14.2722 14.2722 20.6178 20.6178 k = 0.3333 0.5774 0.1274 ( 1254 PWs) bands (ev): 1.8247 1.8247 6.9253 6.9253 6.9603 6.9603 10.7619 10.7619 11.1987 11.1987 11.2187 11.2187 11.6843 11.6843 11.7719 11.7719 12.4050 12.4050 13.2407 13.2407 13.2965 13.2965 14.0390 14.0390 14.2744 14.2744 20.6602 20.6602 k = 0.3333 0.5774 0.1401 ( 1254 PWs) bands (ev): 1.8527 1.8527 6.9524 6.9524 6.9875 6.9875 10.7538 10.7538 11.2113 11.2113 11.2330 11.2330 11.6994 11.6994 11.7853 11.7853 12.3872 12.3872 13.2348 13.2348 13.2900 13.2900 14.0251 14.0251 14.2767 14.2767 20.7067 20.7067 k = 0.3333 0.5774 0.1528 ( 1257 PWs) bands (ev): 1.8834 1.8834 6.9819 6.9819 7.0171 7.0171 10.7448 10.7448 11.2243 11.2243 11.2477 11.2477 11.7164 11.7164 11.8003 11.8003 12.3683 12.3683 13.2287 13.2287 13.2831 13.2831 14.0102 14.0102 14.2791 14.2791 20.7571 20.7571 k = 0.3333 0.5774 0.1656 ( 1251 PWs) bands (ev): 1.9168 1.9168 7.0139 7.0139 7.0490 7.0490 10.7345 10.7345 11.2379 11.2379 11.2632 11.2632 11.7353 11.7353 11.8171 11.8171 12.3487 12.3487 13.2225 13.2225 13.2761 13.2761 13.9944 13.9944 14.2817 14.2817 20.8115 20.8115 k = 0.3333 0.5774 0.1783 ( 1251 PWs) bands (ev): 1.9528 1.9528 7.0481 7.0481 7.0833 7.0833 10.7228 10.7228 11.2517 11.2517 11.2791 11.2791 11.7562 11.7562 11.8357 11.8357 12.3282 12.3282 13.2162 13.2162 13.2689 13.2689 13.9776 13.9776 14.2841 14.2841 20.8695 20.8695 k = 0.3333 0.5774 0.1910 ( 1254 PWs) bands (ev): 1.9914 1.9914 7.0846 7.0846 7.1199 7.1199 10.7097 10.7097 11.2657 11.2657 11.2953 11.2953 11.7791 11.7791 11.8562 11.8562 12.3072 12.3072 13.2098 13.2098 13.2616 13.2616 13.9601 13.9601 14.2864 14.2864 20.9309 20.9309 k = 0.3333 0.5774 0.2038 ( 1254 PWs) bands (ev): 2.0327 2.0327 7.1234 7.1234 7.1587 7.1587 10.6951 10.6951 11.2795 11.2795 11.3115 11.3115 11.8042 11.8042 11.8789 11.8789 12.2860 12.2860 13.2037 13.2037 13.2544 13.2544 13.9417 13.9417 14.2888 14.2888 20.9353 20.9354 k = 0.3333 0.5774 0.2165 ( 1254 PWs) bands (ev): 2.0766 2.0766 7.1643 7.1643 7.1996 7.1996 10.6788 10.6788 11.2930 11.2930 11.3274 11.3274 11.8314 11.8314 11.9038 11.9038 12.2647 12.2647 13.1977 13.1977 13.2474 13.2474 13.9227 13.9227 14.2913 14.2913 20.6600 20.6600 k = 0.3333 0.5774 0.2293 ( 1254 PWs) bands (ev): 2.1231 2.1231 7.2073 7.2073 7.2427 7.2427 10.6608 10.6608 11.3061 11.3061 11.3429 11.3429 11.8607 11.8607 11.9310 11.9310 12.2436 12.2436 13.1922 13.1922 13.2407 13.2407 13.9029 13.9029 14.2937 14.2937 20.3804 20.3804 k = 0.3333 0.5774 0.2420 ( 1257 PWs) bands (ev): 2.1723 2.1723 7.2523 7.2523 7.2878 7.2878 10.6408 10.6408 11.3186 11.3186 11.3578 11.3578 11.8919 11.8919 11.9605 11.9605 12.2230 12.2230 13.1871 13.1871 13.2344 13.2344 13.8825 13.8825 14.2962 14.2962 20.1016 20.1016 k = 0.3333 0.5774 0.2547 ( 1263 PWs) bands (ev): 2.2241 2.2241 7.2993 7.2993 7.3348 7.3348 10.6188 10.6188 11.3306 11.3306 11.3721 11.3721 11.9248 11.9248 11.9923 11.9923 12.2033 12.2033 13.1825 13.1825 13.2284 13.2284 13.8613 13.8613 14.2986 14.2986 19.8249 19.8249 k = 0.3333 0.5774 0.2675 ( 1269 PWs) bands (ev): 2.2785 2.2785 7.3481 7.3481 7.3836 7.3836 10.5945 10.5945 11.3418 11.3418 11.3855 11.3855 11.9589 11.9589 12.0266 12.0266 12.1852 12.1852 13.1788 13.1788 13.2234 13.2234 13.8397 13.8397 14.3008 14.3008 19.5508 19.5508 k = 0.3333 0.5774 0.2802 ( 1269 PWs) bands (ev): 2.3355 2.3355 7.3987 7.3987 7.4343 7.4343 10.5681 10.5681 11.3523 11.3523 11.3981 11.3981 11.9930 11.9930 12.0634 12.0634 12.1701 12.1701 13.1759 13.1759 13.2191 13.2191 13.8178 13.8178 14.3032 14.3032 19.2796 19.2796 k = 0.3333 0.5774 0.2929 ( 1269 PWs) bands (ev): 2.3950 2.3950 7.4510 7.4510 7.4866 7.4866 10.5392 10.5392 11.3620 11.3620 11.4096 11.4096 12.0242 12.0242 12.1025 12.1025 12.1606 12.1606 13.1741 13.1741 13.2158 13.2158 13.7954 13.7954 14.3057 14.3057 19.0118 19.0118 k = 0.3333 0.5774 0.3057 ( 1269 PWs) bands (ev): 2.4572 2.4572 7.5049 7.5049 7.5405 7.5405 10.5079 10.5079 11.3708 11.3708 11.4200 11.4200 12.0467 12.0467 12.1440 12.1440 12.1629 12.1629 13.1734 13.1734 13.2137 13.2137 13.7726 13.7726 14.3082 14.3082 18.7475 18.7475 k = 0.3333 0.5774 0.3184 ( 1269 PWs) bands (ev): 2.5219 2.5219 7.5603 7.5603 7.5959 7.5959 10.4739 10.4739 11.3787 11.3787 11.4293 11.4293 12.0543 12.0543 12.1830 12.1830 12.1877 12.1877 13.1741 13.1741 13.2128 13.2128 13.7496 13.7496 14.3106 14.3106 18.4870 18.4870 k = 0.3333 0.5774 0.3311 ( 1275 PWs) bands (ev): 2.5892 2.5892 7.6170 7.6170 7.6527 7.6527 10.4371 10.4371 11.3856 11.3856 11.4374 11.4374 12.0501 12.0501 12.2176 12.2176 12.2333 12.2333 13.1762 13.1762 13.2134 13.2134 13.7262 13.7262 14.3131 14.3131 18.2304 18.2304 k = 0.3333 0.5774 0.3439 ( 1275 PWs) bands (ev): 2.6590 2.6590 7.6751 7.6751 7.7107 7.7107 10.3975 10.3975 11.3918 11.3918 11.4444 11.4444 12.0407 12.0407 12.2603 12.2603 12.2810 12.2810 13.1801 13.1801 13.2157 13.2157 13.7027 13.7027 14.3155 14.3155 17.9782 17.9782 k = 0.3333 0.5774 0.3566 ( 1269 PWs) bands (ev): 2.7314 2.7314 7.7342 7.7342 7.7698 7.7698 10.3550 10.3550 11.3971 11.3971 11.4503 11.4503 12.0295 12.0295 12.3074 12.3074 12.3305 12.3305 13.1858 13.1858 13.2200 13.2200 13.6792 13.6792 14.3181 14.3181 17.7304 17.7304 k = 0.3333 0.5774 0.3694 ( 1260 PWs) bands (ev): 2.8063 2.8063 7.7945 7.7945 7.8300 7.8300 10.3096 10.3096 11.4015 11.4015 11.4552 11.4552 12.0183 12.0183 12.3572 12.3572 12.3816 12.3816 13.1938 13.1938 13.2264 13.2264 13.6556 13.6556 14.3205 14.3205 17.4874 17.4874 k = 0.3333 0.5774 0.3821 ( 1260 PWs) bands (ev): 2.8836 2.8836 7.8556 7.8556 7.8911 7.8911 10.2610 10.2610 11.4048 11.4048 11.4587 11.4587 12.0073 12.0073 12.4086 12.4086 12.4339 12.4339 13.2039 13.2039 13.2351 13.2351 13.6319 13.6319 14.3230 14.3230 17.2492 17.2492 k = 0.3333 0.5774 0.3948 ( 1260 PWs) bands (ev): 2.9634 2.9634 7.9174 7.9174 7.9529 7.9529 10.2092 10.2092 11.4072 11.4072 11.4612 11.4612 11.9970 11.9970 12.4613 12.4613 12.4872 12.4872 13.2166 13.2166 13.2465 13.2465 13.6083 13.6083 14.3254 14.3254 17.0161 17.0161 k = 0.3333 0.5774 0.4076 ( 1260 PWs) bands (ev): 3.0457 3.0457 7.9799 7.9799 8.0153 8.0153 10.1541 10.1541 11.4088 11.4088 11.4626 11.4626 11.9876 11.9876 12.5145 12.5145 12.5411 12.5411 13.2322 13.2322 13.2609 13.2609 13.5848 13.5848 14.3278 14.3278 16.7884 16.7884 k = 0.3333 0.5774 0.4203 ( 1254 PWs) bands (ev): 3.1304 3.1304 8.0428 8.0428 8.0781 8.0781 10.0960 10.0960 11.4095 11.4095 11.4631 11.4631 11.9792 11.9792 12.5679 12.5679 12.5953 12.5953 13.2512 13.2512 13.2787 13.2787 13.5616 13.5616 14.3303 14.3303 16.5662 16.5662 k = 0.3333 0.5774 0.4330 ( 1254 PWs) bands (ev): 3.2175 3.2175 8.1061 8.1061 8.1412 8.1412 10.0344 10.0344 11.4094 11.4094 11.4626 11.4626 11.9717 11.9717 12.6209 12.6209 12.6492 12.6492 13.2739 13.2739 13.3002 13.3002 13.5386 13.5386 14.3327 14.3327 16.3498 16.3498 k = 0.3333 0.5774 0.4458 ( 1254 PWs) bands (ev): 3.3070 3.3070 8.1694 8.1694 8.2045 8.2045 9.9694 9.9694 11.4084 11.4084 11.4612 11.4612 11.9653 11.9653 12.6729 12.6729 12.7024 12.7024 13.3007 13.3007 13.3258 13.3258 13.5162 13.5162 14.3350 14.3350 16.1393 16.1393 k = 0.3333 0.5774 0.4585 ( 1254 PWs) bands (ev): 3.3988 3.3988 8.2328 8.2328 8.2677 8.2677 9.9010 9.9010 11.4067 11.4067 11.4589 11.4589 11.9598 11.9598 12.7235 12.7235 12.7543 12.7543 13.3322 13.3322 13.3556 13.3556 13.4945 13.4945 14.3373 14.3373 15.9350 15.9350 k = 0.3333 0.5774 0.4712 ( 1254 PWs) bands (ev): 3.4928 3.4928 8.2960 8.2960 8.3307 8.3307 9.8292 9.8292 11.4043 11.4043 11.4559 11.4559 11.9551 11.9551 12.7721 12.7721 12.8043 12.8043 13.3689 13.3689 13.3891 13.3891 13.4747 13.4747 14.3396 14.3396 15.7372 15.7372 k = 0.3333 0.5774 0.4840 ( 1260 PWs) bands (ev): 3.5892 3.5892 8.3588 8.3588 8.3934 8.3934 9.7538 9.7538 11.4012 11.4012 11.4521 11.4521 11.9514 11.9514 12.8183 12.8183 12.8518 12.8518 13.4110 13.4110 13.4186 13.4186 13.4646 13.4646 14.3418 14.3418 15.5460 15.5460 k = 0.3333 0.5774 0.4967 ( 1263 PWs) bands (ev): 3.6878 3.6878 8.4211 8.4211 8.4554 8.4554 9.6750 9.6750 11.3975 11.3975 11.4477 11.4477 11.9484 11.9484 12.8618 12.8618 12.8967 12.8967 13.4171 13.4171 13.4590 13.4590 13.4920 13.4920 14.3440 14.3440 15.3615 15.3615 k = 0.3333 0.5774 0.5095 ( 1263 PWs) bands (ev): 3.7885 3.7885 8.4827 8.4827 8.5168 8.5168 9.5927 9.5927 11.3932 11.3932 11.4429 11.4429 11.9462 11.9462 12.9025 12.9025 12.9387 12.9387 13.3999 13.3999 13.5131 13.5131 13.5414 13.5414 14.3462 14.3462 15.1842 15.1842 k = 0.3333 0.5774 0.5222 ( 1263 PWs) bands (ev): 3.8913 3.8913 8.5433 8.5433 8.5772 8.5772 9.5069 9.5069 11.3885 11.3885 11.4375 11.4375 11.9447 11.9447 12.9402 12.9402 12.9776 12.9776 13.3808 13.3808 13.5731 13.5731 13.5991 13.5991 14.3484 14.3484 15.0141 15.0141 k = 0.3333 0.5774 0.5349 ( 1260 PWs) bands (ev): 3.9962 3.9962 8.6028 8.6028 8.6366 8.6366 9.4178 9.4178 11.3834 11.3834 11.4318 11.4318 11.9438 11.9438 12.9753 12.9753 13.0138 13.0138 13.3615 13.3615 13.6388 13.6388 13.6630 13.6630 14.3505 14.3505 14.8514 14.8514 k = 0.3333 0.5774 0.5477 ( 1260 PWs) bands (ev): 4.1030 4.1030 8.6610 8.6610 8.6946 8.6946 9.3251 9.3251 11.3779 11.3779 11.4257 11.4257 11.9435 11.9435 13.0078 13.0078 13.0473 13.0473 13.3427 13.3427 13.7098 13.7098 13.7323 13.7323 14.3526 14.3526 14.6962 14.6962 k = 0.3333 0.5774 0.5604 ( 1254 PWs) bands (ev): 4.2117 4.2117 8.7177 8.7177 8.7512 8.7512 9.2293 9.2293 11.3722 11.3722 11.4194 11.4194 11.9438 11.9438 13.0382 13.0382 13.0786 13.0786 13.3245 13.3245 13.7857 13.7857 13.8064 13.8064 14.3546 14.3546 14.5489 14.5489 k = 0.3333 0.5774 0.5731 ( 1260 PWs) bands (ev): 4.3222 4.3222 8.7724 8.7724 8.8061 8.8061 9.1303 9.1303 11.3661 11.3661 11.4128 11.4128 11.9444 11.9444 13.0664 13.0664 13.1077 13.1077 13.3065 13.3065 13.8660 13.8660 13.8847 13.8847 14.3560 14.3560 14.4100 14.4100 k = 0.3333 0.5774 0.5859 ( 1266 PWs) bands (ev): 4.4344 4.4344 8.8243 8.8243 8.8592 8.8592 9.0293 9.0293 11.3599 11.3599 11.4061 11.4061 11.9455 11.9455 13.0928 13.0928 13.1349 13.1349 13.2894 13.2894 13.9503 13.9503 13.9663 13.9663 14.2769 14.2769 14.3600 14.3600 k = 0.3333 0.5774 0.5986 ( 1272 PWs) bands (ev): 4.5481 4.5481 8.8657 8.8657 8.9102 8.9102 8.9336 8.9336 11.3537 11.3537 11.3995 11.3995 11.9469 11.9469 13.1176 13.1176 13.1606 13.1606 13.2730 13.2730 14.0383 14.0383 14.0486 14.0486 14.1564 14.1564 14.3621 14.3621 k = 0.3333 0.5774 0.6113 ( 1272 PWs) bands (ev): 4.6633 4.6633 8.8054 8.8054 8.9348 8.9348 8.9591 8.9591 11.3474 11.3474 11.3929 11.3929 11.9486 11.9486 13.1409 13.1409 13.1848 13.1848 13.2575 13.2575 14.0306 14.0306 14.1296 14.1296 14.1464 14.1464 14.3654 14.3654 k = 0.3333 0.5774 0.6241 ( 1272 PWs) bands (ev): 4.7796 4.7796 8.6978 8.6978 8.9785 8.9785 9.0057 9.0057 11.3412 11.3412 11.3864 11.3864 11.9506 11.9506 13.1627 13.1627 13.2076 13.2076 13.2429 13.2429 13.9254 13.9254 14.2239 14.2239 14.2321 14.2321 14.3709 14.3709 k = 0.3333 0.5774 0.6368 ( 1272 PWs) bands (ev): 4.8970 4.8970 8.5856 8.5856 9.0221 9.0221 9.0498 9.0498 11.3352 11.3352 11.3801 11.3801 11.9528 11.9528 13.1831 13.1831 13.2291 13.2291 13.2291 13.2291 13.8259 13.8259 14.3109 14.3109 14.3207 14.3207 14.3881 14.3881 k = 0.3333 0.5774 0.6496 ( 1272 PWs) bands (ev): 5.0151 5.0151 8.4712 8.4712 9.0636 9.0636 9.0912 9.0912 11.3293 11.3293 11.3740 11.3740 11.9551 11.9551 13.2015 13.2015 13.2167 13.2167 13.2493 13.2493 13.7340 13.7340 14.3477 14.3477 14.4197 14.4197 14.4498 14.4498 k = 0.3333 0.5774 0.6623 ( 1272 PWs) bands (ev): 5.1335 5.1335 8.3552 8.3552 9.1025 9.1025 9.1299 9.1299 11.3236 11.3236 11.3682 11.3682 11.9576 11.9576 13.2031 13.2031 13.2204 13.2204 13.2680 13.2680 13.6501 13.6501 14.3568 14.3568 14.5205 14.5205 14.5409 14.5409 k = 0.3333 0.5774 0.6750 ( 1272 PWs) bands (ev): 5.2520 5.2520 8.2383 8.2383 9.1385 9.1385 9.1657 9.1657 11.3183 11.3183 11.3627 11.3627 11.9600 11.9600 13.1923 13.1923 13.2357 13.2357 13.2855 13.2855 13.5744 13.5744 14.3605 14.3605 14.6224 14.6224 14.6384 14.6384 k = 0.3333 0.5774 0.6878 ( 1278 PWs) bands (ev): 5.3699 5.3699 8.1212 8.1212 9.1715 9.1715 9.1983 9.1983 11.3132 11.3132 11.3576 11.3576 11.9625 11.9625 13.1820 13.1820 13.2490 13.2490 13.3014 13.3014 13.5070 13.5070 14.3628 14.3628 14.7248 14.7248 14.7376 14.7376 k = 0.3333 0.5774 0.7005 ( 1278 PWs) bands (ev): 5.4864 5.4864 8.0049 8.0049 9.2014 9.2014 9.2279 9.2279 11.3086 11.3086 11.3529 11.3529 11.9649 11.9649 13.1726 13.1726 13.2597 13.2597 13.3159 13.3159 13.4488 13.4488 14.3644 14.3644 14.8268 14.8268 14.8369 14.8369 k = 0.3333 0.5774 0.7132 ( 1284 PWs) bands (ev): 5.6007 5.6007 7.8904 7.8904 9.2279 9.2279 9.2541 9.2541 11.3044 11.3044 11.3487 11.3487 11.9671 11.9671 13.1640 13.1640 13.2660 13.2660 13.3289 13.3289 13.4008 13.4008 14.3657 14.3657 14.9271 14.9271 14.9347 14.9347 k = 0.3333 0.5774 0.7260 ( 1284 PWs) bands (ev): 5.7113 5.7113 7.7793 7.7793 9.2512 9.2512 9.2771 9.2771 11.3007 11.3007 11.3449 11.3449 11.9692 11.9692 13.1563 13.1563 13.2652 13.2652 13.3403 13.3403 13.3663 13.3663 14.3667 14.3667 15.0242 15.0242 15.0294 15.0294 k = 0.3333 0.5774 0.7387 ( 1284 PWs) bands (ev): 5.8163 5.8163 7.6737 7.6737 9.2711 9.2711 9.2967 9.2967 11.2975 11.2975 11.3417 11.3417 11.9711 11.9711 13.1494 13.1494 13.2544 13.2544 13.3477 13.3477 13.3500 13.3500 14.3675 14.3675 15.1160 15.1160 15.1188 15.1188 k = 0.3333 0.5774 0.7514 ( 1278 PWs) bands (ev): 5.9131 5.9131 7.5764 7.5764 9.2875 9.2875 9.3129 9.3129 11.2949 11.2949 11.3391 11.3391 11.9727 11.9727 13.1434 13.1434 13.2372 13.2372 13.3416 13.3416 13.3581 13.3581 14.3682 14.3682 15.1996 15.1996 15.2001 15.2001 k = 0.3333 0.5774 0.7642 ( 1284 PWs) bands (ev): 5.9975 5.9975 7.4913 7.4913 9.3002 9.3002 9.3254 9.3254 11.2927 11.2927 11.3370 11.3370 11.9739 11.9739 13.1381 13.1381 13.2199 13.2199 13.3410 13.3410 13.3643 13.3643 14.3686 14.3686 15.2697 15.2697 15.2715 15.2715 k = 0.3333 0.5774 0.7769 ( 1284 PWs) bands (ev): 6.0646 6.0646 7.4237 7.4237 9.3094 9.3094 9.3345 9.3345 11.2912 11.2912 11.3355 11.3355 11.9749 11.9749 13.1339 13.1339 13.2067 13.2067 13.3421 13.3421 13.3688 13.3688 14.3689 14.3689 15.3239 15.3239 15.3274 15.3274 k = 0.3333 0.5774 0.7896 ( 1290 PWs) bands (ev): 6.1085 6.1085 7.3795 7.3795 9.3149 9.3149 9.3399 9.3399 11.2902 11.2902 11.3346 11.3346 11.9754 11.9754 13.1311 13.1311 13.1986 13.1986 13.3431 13.3431 13.3714 13.3714 14.3689 14.3689 15.3584 15.3584 15.3632 15.3632 k = 0.3333 0.5774 0.8024 ( 1290 PWs) bands (ev): 6.1238 6.1238 7.3641 7.3641 9.3167 9.3167 9.3417 9.3417 11.2899 11.2899 11.3343 11.3343 11.9756 11.9756 13.1301 13.1301 13.1959 13.1959 13.3435 13.3435 13.3723 13.3723 14.3690 14.3690 15.3703 15.3703 15.3756 15.3756 Writing output data file Fe2Ge.save init_run : 0.15s CPU 0.37s WALL ( 1 calls) electrons : 51.47s CPU 53.27s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 51.47s CPU 53.26s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 444 calls) cegterg : 45.47s CPU 46.47s WALL ( 461 calls) Called by sum_band: Called by *egterg: h_psi : 24.72s CPU 25.47s WALL ( 7026 calls) s_psi : 1.21s CPU 1.25s WALL ( 7026 calls) g_psi : 0.06s CPU 0.05s WALL ( 6121 calls) cdiaghg : 20.28s CPU 20.69s WALL ( 6565 calls) cegterg:over : 1.27s CPU 1.38s WALL ( 6121 calls) cegterg:upda : 0.90s CPU 0.94s WALL ( 6121 calls) cegterg:last : 0.59s CPU 0.53s WALL ( 1376 calls) cdiaghg:chol : 1.02s CPU 1.03s WALL ( 6565 calls) cdiaghg:inve : 0.35s CPU 0.38s WALL ( 6565 calls) cdiaghg:para : 1.32s CPU 1.31s WALL ( 13130 calls) Called by h_psi: h_psi:vloc : 21.75s CPU 22.37s WALL ( 7026 calls) h_psi:vnl : 2.96s CPU 3.07s WALL ( 7026 calls) add_vuspsi : 1.54s CPU 1.65s WALL ( 7026 calls) General routines calbec : 1.39s CPU 1.40s WALL ( 7026 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.52s CPU 21.20s WALL ( 522936 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.15s WALL ( 888 calls) Parallel routines fft_scatter : 10.10s CPU 10.48s WALL ( 522959 calls) PWSCF : 0m59.79s CPU 1m13.89s WALL This run was terminated on: 18: 6:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=