Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 5:22 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 6 830 563 92 Max 27 21 7 837 573 96 Sum 955 745 223 29981 20429 3377 bravais-lattice index = 14 lattice parameter (alat) = 7.6685 a.u. unit-cell volume = 484.8522 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 7.668508 celldm(2)= 1.000000 celldm(3)= 1.241498 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.241498 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.805478 ) 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 (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6207491 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6207491 ) 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= 351 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0028490 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0028490 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0028490 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0028490 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0028490 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0028490 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0028490 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028490 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0028490 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0028490 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0028490 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0028490 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0028490 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0028490 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0028490 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0028490 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0028490 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0028490 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028490 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0028490 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0028490 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0028490 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0028490 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0028490 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0028490 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0028490 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0028490 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0028490 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0028490 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0028490 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0028490 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0028490 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0028490 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0028490 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0028490 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0028490 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028490 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0028490 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0028490 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0028490 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0028490 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0028490 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0028490 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0028490 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0028490 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0028490 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0028490 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0028490 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0028490 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0028490 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0028490 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0028490 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0028490 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0028490 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0028490 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0028490 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0028490 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0028490 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0028490 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0028490 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0028490 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0028490 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0028490 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0028490 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0028490 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0028490 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0028490 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0028490 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0028490 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0028490 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0028490 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0028490 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0028490 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0028490 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0028490 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0028490 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0028490 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0028490 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0028490 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0028490 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0028490 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0028490 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0028490 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0028490 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 128) = ( 0.0000000 0.0000000 0.0125856), wk = 0.0028490 k( 129) = ( 0.0000000 0.0000000 0.0251712), wk = 0.0028490 k( 130) = ( 0.0000000 0.0000000 0.0377568), wk = 0.0028490 k( 131) = ( 0.0000000 0.0000000 0.0503424), wk = 0.0028490 k( 132) = ( 0.0000000 0.0000000 0.0629280), wk = 0.0028490 k( 133) = ( 0.0000000 0.0000000 0.0755136), wk = 0.0028490 k( 134) = ( 0.0000000 0.0000000 0.0880992), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.1006848), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.1132704), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.1258560), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.1384416), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.1510272), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.1636128), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.1761984), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.1887840), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.2013696), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.2139552), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.2265408), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.2391264), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.2517120), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.2642976), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.2768832), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.2894688), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.3020544), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.3146400), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.3272256), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.3398112), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.3523968), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.3649824), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.3775680), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.3901536), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.4027392), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.4027392), wk = 0.0028490 k( 161) = ( 0.0111111 0.0064150 0.4027392), wk = 0.0028490 k( 162) = ( 0.0222222 0.0128300 0.4027392), wk = 0.0028490 k( 163) = ( 0.0333333 0.0192450 0.4027392), wk = 0.0028490 k( 164) = ( 0.0444444 0.0256600 0.4027392), wk = 0.0028490 k( 165) = ( 0.0555556 0.0320750 0.4027392), wk = 0.0028490 k( 166) = ( 0.0666667 0.0384900 0.4027392), wk = 0.0028490 k( 167) = ( 0.0777778 0.0449050 0.4027392), wk = 0.0028490 k( 168) = ( 0.0888889 0.0513200 0.4027392), wk = 0.0028490 k( 169) = ( 0.1000000 0.0577350 0.4027392), wk = 0.0028490 k( 170) = ( 0.1111111 0.0641500 0.4027392), wk = 0.0028490 k( 171) = ( 0.1222222 0.0705650 0.4027392), wk = 0.0028490 k( 172) = ( 0.1333333 0.0769800 0.4027392), wk = 0.0028490 k( 173) = ( 0.1444444 0.0833950 0.4027392), wk = 0.0028490 k( 174) = ( 0.1555556 0.0898100 0.4027392), wk = 0.0028490 k( 175) = ( 0.1666667 0.0962250 0.4027392), wk = 0.0028490 k( 176) = ( 0.1777778 0.1026400 0.4027392), wk = 0.0028490 k( 177) = ( 0.1888889 0.1090551 0.4027392), wk = 0.0028490 k( 178) = ( 0.2000000 0.1154701 0.4027392), wk = 0.0028490 k( 179) = ( 0.2111111 0.1218851 0.4027392), wk = 0.0028490 k( 180) = ( 0.2222222 0.1283001 0.4027392), wk = 0.0028490 k( 181) = ( 0.2333333 0.1347151 0.4027392), wk = 0.0028490 k( 182) = ( 0.2444444 0.1411301 0.4027392), wk = 0.0028490 k( 183) = ( 0.2555556 0.1475451 0.4027392), wk = 0.0028490 k( 184) = ( 0.2666667 0.1539601 0.4027392), wk = 0.0028490 k( 185) = ( 0.2777778 0.1603751 0.4027392), wk = 0.0028490 k( 186) = ( 0.2888889 0.1667901 0.4027392), wk = 0.0028490 k( 187) = ( 0.3000000 0.1732051 0.4027392), wk = 0.0028490 k( 188) = ( 0.3111111 0.1796201 0.4027392), wk = 0.0028490 k( 189) = ( 0.3222222 0.1860351 0.4027392), wk = 0.0028490 k( 190) = ( 0.3333333 0.1924501 0.4027392), wk = 0.0028490 k( 191) = ( 0.3444444 0.1988651 0.4027392), wk = 0.0028490 k( 192) = ( 0.3555556 0.2052801 0.4027392), wk = 0.0028490 k( 193) = ( 0.3666667 0.2116951 0.4027392), wk = 0.0028490 k( 194) = ( 0.3777778 0.2181101 0.4027392), wk = 0.0028490 k( 195) = ( 0.3888889 0.2245251 0.4027392), wk = 0.0028490 k( 196) = ( 0.4000000 0.2309401 0.4027392), wk = 0.0028490 k( 197) = ( 0.4111111 0.2373551 0.4027392), wk = 0.0028490 k( 198) = ( 0.4222222 0.2437701 0.4027392), wk = 0.0028490 k( 199) = ( 0.4333333 0.2501851 0.4027392), wk = 0.0028490 k( 200) = ( 0.4444444 0.2566001 0.4027392), wk = 0.0028490 k( 201) = ( 0.4555556 0.2630151 0.4027392), wk = 0.0028490 k( 202) = ( 0.4666667 0.2694301 0.4027392), wk = 0.0028490 k( 203) = ( 0.4777778 0.2758451 0.4027392), wk = 0.0028490 k( 204) = ( 0.4888889 0.2822601 0.4027392), wk = 0.0028490 k( 205) = ( 0.5000000 0.2886751 0.4027392), wk = 0.0028490 k( 206) = ( 0.5000000 0.2886751 0.4027392), wk = 0.0028490 k( 207) = ( 0.4935897 0.2997780 0.4027392), wk = 0.0028490 k( 208) = ( 0.4871795 0.3108809 0.4027392), wk = 0.0028490 k( 209) = ( 0.4807692 0.3219838 0.4027392), wk = 0.0028490 k( 210) = ( 0.4743590 0.3330867 0.4027392), wk = 0.0028490 k( 211) = ( 0.4679487 0.3441896 0.4027392), wk = 0.0028490 k( 212) = ( 0.4615385 0.3552925 0.4027392), wk = 0.0028490 k( 213) = ( 0.4551282 0.3663954 0.4027392), wk = 0.0028490 k( 214) = ( 0.4487179 0.3774983 0.4027392), wk = 0.0028490 k( 215) = ( 0.4423077 0.3886011 0.4027392), wk = 0.0028490 k( 216) = ( 0.4358974 0.3997040 0.4027392), wk = 0.0028490 k( 217) = ( 0.4294872 0.4108069 0.4027392), wk = 0.0028490 k( 218) = ( 0.4230769 0.4219098 0.4027392), wk = 0.0028490 k( 219) = ( 0.4166667 0.4330127 0.4027392), wk = 0.0028490 k( 220) = ( 0.4102564 0.4441156 0.4027392), wk = 0.0028490 k( 221) = ( 0.4038462 0.4552185 0.4027392), wk = 0.0028490 k( 222) = ( 0.3974359 0.4663214 0.4027392), wk = 0.0028490 k( 223) = ( 0.3910256 0.4774243 0.4027392), wk = 0.0028490 k( 224) = ( 0.3846154 0.4885271 0.4027392), wk = 0.0028490 k( 225) = ( 0.3782051 0.4996300 0.4027392), wk = 0.0028490 k( 226) = ( 0.3717949 0.5107329 0.4027392), wk = 0.0028490 k( 227) = ( 0.3653846 0.5218358 0.4027392), wk = 0.0028490 k( 228) = ( 0.3589744 0.5329387 0.4027392), wk = 0.0028490 k( 229) = ( 0.3525641 0.5440416 0.4027392), wk = 0.0028490 k( 230) = ( 0.3461538 0.5551445 0.4027392), wk = 0.0028490 k( 231) = ( 0.3397436 0.5662474 0.4027392), wk = 0.0028490 k( 232) = ( 0.3333333 0.5773503 0.4027392), wk = 0.0028490 k( 233) = ( 0.3333333 0.5773503 0.4027392), wk = 0.0028490 k( 234) = ( 0.3269231 0.5662474 0.4027392), wk = 0.0028490 k( 235) = ( 0.3205128 0.5551445 0.4027392), wk = 0.0028490 k( 236) = ( 0.3141026 0.5440416 0.4027392), wk = 0.0028490 k( 237) = ( 0.3076923 0.5329387 0.4027392), wk = 0.0028490 k( 238) = ( 0.3012821 0.5218358 0.4027392), wk = 0.0028490 k( 239) = ( 0.2948718 0.5107329 0.4027392), wk = 0.0028490 k( 240) = ( 0.2884615 0.4996300 0.4027392), wk = 0.0028490 k( 241) = ( 0.2820513 0.4885271 0.4027392), wk = 0.0028490 k( 242) = ( 0.2756410 0.4774243 0.4027392), wk = 0.0028490 k( 243) = ( 0.2692308 0.4663214 0.4027392), wk = 0.0028490 k( 244) = ( 0.2628205 0.4552185 0.4027392), wk = 0.0028490 k( 245) = ( 0.2564103 0.4441156 0.4027392), wk = 0.0028490 k( 246) = ( 0.2500000 0.4330127 0.4027392), wk = 0.0028490 k( 247) = ( 0.2435897 0.4219098 0.4027392), wk = 0.0028490 k( 248) = ( 0.2371795 0.4108069 0.4027392), wk = 0.0028490 k( 249) = ( 0.2307692 0.3997040 0.4027392), wk = 0.0028490 k( 250) = ( 0.2243590 0.3886011 0.4027392), wk = 0.0028490 k( 251) = ( 0.2179487 0.3774983 0.4027392), wk = 0.0028490 k( 252) = ( 0.2115385 0.3663954 0.4027392), wk = 0.0028490 k( 253) = ( 0.2051282 0.3552925 0.4027392), wk = 0.0028490 k( 254) = ( 0.1987180 0.3441896 0.4027392), wk = 0.0028490 k( 255) = ( 0.1923077 0.3330867 0.4027392), wk = 0.0028490 k( 256) = ( 0.1858974 0.3219838 0.4027392), wk = 0.0028490 k( 257) = ( 0.1794872 0.3108809 0.4027392), wk = 0.0028490 k( 258) = ( 0.1730769 0.2997780 0.4027392), wk = 0.0028490 k( 259) = ( 0.1666667 0.2886751 0.4027392), wk = 0.0028490 k( 260) = ( 0.1602564 0.2775722 0.4027392), wk = 0.0028490 k( 261) = ( 0.1538461 0.2664693 0.4027392), wk = 0.0028490 k( 262) = ( 0.1474359 0.2553665 0.4027392), wk = 0.0028490 k( 263) = ( 0.1410256 0.2442636 0.4027392), wk = 0.0028490 k( 264) = ( 0.1346154 0.2331607 0.4027392), wk = 0.0028490 k( 265) = ( 0.1282051 0.2220578 0.4027392), wk = 0.0028490 k( 266) = ( 0.1217949 0.2109549 0.4027392), wk = 0.0028490 k( 267) = ( 0.1153846 0.1998520 0.4027392), wk = 0.0028490 k( 268) = ( 0.1089744 0.1887491 0.4027392), wk = 0.0028490 k( 269) = ( 0.1025641 0.1776462 0.4027392), wk = 0.0028490 k( 270) = ( 0.0961538 0.1665434 0.4027392), wk = 0.0028490 k( 271) = ( 0.0897436 0.1554405 0.4027392), wk = 0.0028490 k( 272) = ( 0.0833333 0.1443376 0.4027392), wk = 0.0028490 k( 273) = ( 0.0769231 0.1332347 0.4027392), wk = 0.0028490 k( 274) = ( 0.0705128 0.1221318 0.4027392), wk = 0.0028490 k( 275) = ( 0.0641026 0.1110289 0.4027392), wk = 0.0028490 k( 276) = ( 0.0576923 0.0999260 0.4027392), wk = 0.0028490 k( 277) = ( 0.0512821 0.0888231 0.4027392), wk = 0.0028490 k( 278) = ( 0.0448718 0.0777202 0.4027392), wk = 0.0028490 k( 279) = ( 0.0384615 0.0666173 0.4027392), wk = 0.0028490 k( 280) = ( 0.0320513 0.0555144 0.4027392), wk = 0.0028490 k( 281) = ( 0.0256410 0.0444116 0.4027392), wk = 0.0028490 k( 282) = ( 0.0192308 0.0333087 0.4027392), wk = 0.0028490 k( 283) = ( 0.0128205 0.0222058 0.4027392), wk = 0.0028490 k( 284) = ( 0.0064103 0.0111029 0.4027392), wk = 0.0028490 k( 285) = ( 0.0000000 0.0000000 0.4027392), wk = 0.0028490 k( 286) = ( 0.5000000 0.2886751 0.4027392), wk = 0.0028490 k( 287) = ( 0.5000000 0.2886751 0.3901536), wk = 0.0028490 k( 288) = ( 0.5000000 0.2886751 0.3775680), wk = 0.0028490 k( 289) = ( 0.5000000 0.2886751 0.3649824), wk = 0.0028490 k( 290) = ( 0.5000000 0.2886751 0.3523968), wk = 0.0028490 k( 291) = ( 0.5000000 0.2886751 0.3398112), wk = 0.0028490 k( 292) = ( 0.5000000 0.2886751 0.3272256), wk = 0.0028490 k( 293) = ( 0.5000000 0.2886751 0.3146400), wk = 0.0028490 k( 294) = ( 0.5000000 0.2886751 0.3020544), wk = 0.0028490 k( 295) = ( 0.5000000 0.2886751 0.2894688), wk = 0.0028490 k( 296) = ( 0.5000000 0.2886751 0.2768832), wk = 0.0028490 k( 297) = ( 0.5000000 0.2886751 0.2642976), wk = 0.0028490 k( 298) = ( 0.5000000 0.2886751 0.2517120), wk = 0.0028490 k( 299) = ( 0.5000000 0.2886751 0.2391264), wk = 0.0028490 k( 300) = ( 0.5000000 0.2886751 0.2265408), wk = 0.0028490 k( 301) = ( 0.5000000 0.2886751 0.2139552), wk = 0.0028490 k( 302) = ( 0.5000000 0.2886751 0.2013696), wk = 0.0028490 k( 303) = ( 0.5000000 0.2886751 0.1887840), wk = 0.0028490 k( 304) = ( 0.5000000 0.2886751 0.1761984), wk = 0.0028490 k( 305) = ( 0.5000000 0.2886751 0.1636128), wk = 0.0028490 k( 306) = ( 0.5000000 0.2886751 0.1510272), wk = 0.0028490 k( 307) = ( 0.5000000 0.2886751 0.1384416), wk = 0.0028490 k( 308) = ( 0.5000000 0.2886751 0.1258560), wk = 0.0028490 k( 309) = ( 0.5000000 0.2886751 0.1132704), wk = 0.0028490 k( 310) = ( 0.5000000 0.2886751 0.1006848), wk = 0.0028490 k( 311) = ( 0.5000000 0.2886751 0.0880992), wk = 0.0028490 k( 312) = ( 0.5000000 0.2886751 0.0755136), wk = 0.0028490 k( 313) = ( 0.5000000 0.2886751 0.0629280), wk = 0.0028490 k( 314) = ( 0.5000000 0.2886751 0.0503424), wk = 0.0028490 k( 315) = ( 0.5000000 0.2886751 0.0377568), wk = 0.0028490 k( 316) = ( 0.5000000 0.2886751 0.0251712), wk = 0.0028490 k( 317) = ( 0.5000000 0.2886751 0.0125856), wk = 0.0028490 k( 318) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028490 k( 319) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028490 k( 320) = ( 0.3333333 0.5773503 0.0125856), wk = 0.0028490 k( 321) = ( 0.3333333 0.5773503 0.0251712), wk = 0.0028490 k( 322) = ( 0.3333333 0.5773503 0.0377568), wk = 0.0028490 k( 323) = ( 0.3333333 0.5773503 0.0503424), wk = 0.0028490 k( 324) = ( 0.3333333 0.5773503 0.0629280), wk = 0.0028490 k( 325) = ( 0.3333333 0.5773503 0.0755136), wk = 0.0028490 k( 326) = ( 0.3333333 0.5773503 0.0880992), wk = 0.0028490 k( 327) = ( 0.3333333 0.5773503 0.1006848), wk = 0.0028490 k( 328) = ( 0.3333333 0.5773503 0.1132704), wk = 0.0028490 k( 329) = ( 0.3333333 0.5773503 0.1258560), wk = 0.0028490 k( 330) = ( 0.3333333 0.5773503 0.1384416), wk = 0.0028490 k( 331) = ( 0.3333333 0.5773503 0.1510272), wk = 0.0028490 k( 332) = ( 0.3333333 0.5773503 0.1636128), wk = 0.0028490 k( 333) = ( 0.3333333 0.5773503 0.1761984), wk = 0.0028490 k( 334) = ( 0.3333333 0.5773503 0.1887840), wk = 0.0028490 k( 335) = ( 0.3333333 0.5773503 0.2013696), wk = 0.0028490 k( 336) = ( 0.3333333 0.5773503 0.2139552), wk = 0.0028490 k( 337) = ( 0.3333333 0.5773503 0.2265408), wk = 0.0028490 k( 338) = ( 0.3333333 0.5773503 0.2391264), wk = 0.0028490 k( 339) = ( 0.3333333 0.5773503 0.2517120), wk = 0.0028490 k( 340) = ( 0.3333333 0.5773503 0.2642976), wk = 0.0028490 k( 341) = ( 0.3333333 0.5773503 0.2768832), wk = 0.0028490 k( 342) = ( 0.3333333 0.5773503 0.2894688), wk = 0.0028490 k( 343) = ( 0.3333333 0.5773503 0.3020544), wk = 0.0028490 k( 344) = ( 0.3333333 0.5773503 0.3146400), wk = 0.0028490 k( 345) = ( 0.3333333 0.5773503 0.3272256), wk = 0.0028490 k( 346) = ( 0.3333333 0.5773503 0.3398112), wk = 0.0028490 k( 347) = ( 0.3333333 0.5773503 0.3523968), wk = 0.0028490 k( 348) = ( 0.3333333 0.5773503 0.3649824), wk = 0.0028490 k( 349) = ( 0.3333333 0.5773503 0.3775680), wk = 0.0028490 k( 350) = ( 0.3333333 0.5773503 0.3901536), wk = 0.0028490 k( 351) = ( 0.3333333 0.5773503 0.4027392), wk = 0.0028490 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0028490 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0028490 k( 4) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0028490 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0028490 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0028490 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0028490 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0028490 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0028490 k( 10) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0028490 k( 11) = ( 0.1111111 0.0000000 -0.0000000), wk = 0.0028490 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0028490 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0028490 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0028490 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0028490 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028490 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0028490 k( 18) = ( 0.1888889 0.0000000 -0.0000000), wk = 0.0028490 k( 19) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0028490 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0028490 k( 21) = ( 0.2222222 0.0000000 -0.0000000), wk = 0.0028490 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0028490 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0028490 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0028490 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0028490 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0028490 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0028490 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0028490 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0028490 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0028490 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028490 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0028490 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0028490 k( 34) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0028490 k( 35) = ( 0.3777778 0.0000000 -0.0000000), wk = 0.0028490 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0028490 k( 37) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0028490 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0028490 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0028490 k( 40) = ( 0.4333333 0.0000000 -0.0000000), wk = 0.0028490 k( 41) = ( 0.4444444 0.0000000 -0.0000000), wk = 0.0028490 k( 42) = ( 0.4555556 0.0000000 -0.0000000), wk = 0.0028490 k( 43) = ( 0.4666667 0.0000000 -0.0000000), wk = 0.0028490 k( 44) = ( 0.4777778 0.0000000 -0.0000000), wk = 0.0028490 k( 45) = ( 0.4888889 0.0000000 -0.0000000), wk = 0.0028490 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028490 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028490 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0028490 k( 49) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0028490 k( 50) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0028490 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0028490 k( 52) = ( 0.4679487 0.0641026 -0.0000000), wk = 0.0028490 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0028490 k( 54) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0028490 k( 55) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0028490 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0028490 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0028490 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0028490 k( 59) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0028490 k( 60) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028490 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0028490 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0028490 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0028490 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0028490 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0028490 k( 66) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0028490 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0028490 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0028490 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0028490 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0028490 k( 71) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0028490 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0028490 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0028490 k( 76) = ( 0.3205128 0.3205128 -0.0000000), wk = 0.0028490 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0028490 k( 78) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0028490 k( 79) = ( 0.3012821 0.3012821 -0.0000000), wk = 0.0028490 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0028490 k( 81) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0028490 k( 82) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0028490 k( 83) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0028490 k( 84) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0028490 k( 85) = ( 0.2628205 0.2628205 -0.0000000), wk = 0.0028490 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0028490 k( 87) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0028490 k( 88) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0028490 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0028490 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0028490 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0028490 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0028490 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0028490 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0028490 k( 95) = ( 0.1987180 0.1987179 -0.0000000), wk = 0.0028490 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0028490 k( 97) = ( 0.1858974 0.1858974 -0.0000000), wk = 0.0028490 k( 98) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0028490 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0028490 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0028490 k( 101) = ( 0.1602564 0.1602564 -0.0000000), wk = 0.0028490 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0028490 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0028490 k( 104) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0028490 k( 105) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0028490 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0028490 k( 107) = ( 0.1217949 0.1217949 -0.0000000), wk = 0.0028490 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0028490 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0028490 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0028490 k( 111) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0028490 k( 112) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0028490 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028490 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0028490 k( 115) = ( 0.0705128 0.0705128 -0.0000000), wk = 0.0028490 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0028490 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0028490 k( 118) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0028490 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0028490 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0028490 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0028490 k( 122) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0028490 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0028490 k( 124) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0028490 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0028490 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028490 k( 128) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0028490 k( 129) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0028490 k( 130) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0028490 k( 131) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028490 k( 132) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0028490 k( 133) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0028490 k( 134) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0028490 k( 135) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028490 k( 136) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0028490 k( 137) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0028490 k( 138) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0028490 k( 139) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028490 k( 140) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0028490 k( 141) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0028490 k( 142) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0028490 k( 143) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028490 k( 144) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0028490 k( 145) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0028490 k( 146) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0028490 k( 147) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028490 k( 148) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0028490 k( 149) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0028490 k( 150) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0028490 k( 151) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028490 k( 152) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0028490 k( 153) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0028490 k( 154) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0028490 k( 155) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028490 k( 156) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0028490 k( 157) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0028490 k( 158) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0028490 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 161) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0028490 k( 162) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0028490 k( 163) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0028490 k( 164) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0028490 k( 165) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0028490 k( 166) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0028490 k( 167) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0028490 k( 168) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0028490 k( 169) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0028490 k( 170) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0028490 k( 171) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0028490 k( 172) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0028490 k( 173) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0028490 k( 174) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0028490 k( 175) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028490 k( 176) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0028490 k( 177) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0028490 k( 178) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0028490 k( 179) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0028490 k( 180) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0028490 k( 181) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0028490 k( 182) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0028490 k( 183) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0028490 k( 184) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0028490 k( 185) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0028490 k( 186) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0028490 k( 187) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0028490 k( 188) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0028490 k( 189) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0028490 k( 190) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028490 k( 191) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0028490 k( 192) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0028490 k( 193) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0028490 k( 194) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0028490 k( 195) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0028490 k( 196) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0028490 k( 197) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0028490 k( 198) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0028490 k( 199) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0028490 k( 200) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0028490 k( 201) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0028490 k( 202) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0028490 k( 203) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0028490 k( 204) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0028490 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 207) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0028490 k( 208) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0028490 k( 209) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0028490 k( 210) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0028490 k( 211) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0028490 k( 212) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0028490 k( 213) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0028490 k( 214) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0028490 k( 215) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0028490 k( 216) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0028490 k( 217) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0028490 k( 218) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0028490 k( 219) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028490 k( 220) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0028490 k( 221) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0028490 k( 222) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0028490 k( 223) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0028490 k( 224) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0028490 k( 225) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0028490 k( 226) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0028490 k( 227) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0028490 k( 228) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0028490 k( 229) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0028490 k( 230) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0028490 k( 231) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0028490 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 233) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 k( 234) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0028490 k( 235) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0028490 k( 236) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0028490 k( 237) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0028490 k( 238) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0028490 k( 239) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0028490 k( 240) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0028490 k( 241) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0028490 k( 242) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0028490 k( 243) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0028490 k( 244) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0028490 k( 245) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0028490 k( 246) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0028490 k( 247) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0028490 k( 248) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0028490 k( 249) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0028490 k( 250) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0028490 k( 251) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0028490 k( 252) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0028490 k( 253) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0028490 k( 254) = ( 0.1987180 0.1987179 0.5000000), wk = 0.0028490 k( 255) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0028490 k( 256) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0028490 k( 257) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0028490 k( 258) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0028490 k( 259) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0028490 k( 260) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0028490 k( 261) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0028490 k( 262) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0028490 k( 263) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0028490 k( 264) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0028490 k( 265) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0028490 k( 266) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0028490 k( 267) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0028490 k( 268) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0028490 k( 269) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0028490 k( 270) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0028490 k( 271) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0028490 k( 272) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0028490 k( 273) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0028490 k( 274) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0028490 k( 275) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0028490 k( 276) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0028490 k( 277) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0028490 k( 278) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0028490 k( 279) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0028490 k( 280) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0028490 k( 281) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0028490 k( 282) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0028490 k( 283) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0028490 k( 284) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0028490 k( 285) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028490 k( 286) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028490 k( 287) = ( 0.5000000 0.0000000 0.4843750), wk = 0.0028490 k( 288) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0028490 k( 289) = ( 0.5000000 0.0000000 0.4531250), wk = 0.0028490 k( 290) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0028490 k( 291) = ( 0.5000000 0.0000000 0.4218750), wk = 0.0028490 k( 292) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0028490 k( 293) = ( 0.5000000 0.0000000 0.3906250), wk = 0.0028490 k( 294) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028490 k( 295) = ( 0.5000000 0.0000000 0.3593750), wk = 0.0028490 k( 296) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0028490 k( 297) = ( 0.5000000 0.0000000 0.3281250), wk = 0.0028490 k( 298) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0028490 k( 299) = ( 0.5000000 0.0000000 0.2968750), wk = 0.0028490 k( 300) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0028490 k( 301) = ( 0.5000000 0.0000000 0.2656250), wk = 0.0028490 k( 302) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028490 k( 303) = ( 0.5000000 0.0000000 0.2343750), wk = 0.0028490 k( 304) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0028490 k( 305) = ( 0.5000000 0.0000000 0.2031250), wk = 0.0028490 k( 306) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0028490 k( 307) = ( 0.5000000 0.0000000 0.1718750), wk = 0.0028490 k( 308) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0028490 k( 309) = ( 0.5000000 0.0000000 0.1406250), wk = 0.0028490 k( 310) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028490 k( 311) = ( 0.5000000 0.0000000 0.1093750), wk = 0.0028490 k( 312) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0028490 k( 313) = ( 0.5000000 0.0000000 0.0781250), wk = 0.0028490 k( 314) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0028490 k( 315) = ( 0.5000000 0.0000000 0.0468750), wk = 0.0028490 k( 316) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0028490 k( 317) = ( 0.5000000 0.0000000 0.0156250), wk = 0.0028490 k( 318) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028490 k( 319) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028490 k( 320) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0028490 k( 321) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0028490 k( 322) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0028490 k( 323) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0028490 k( 324) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0028490 k( 325) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0028490 k( 326) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0028490 k( 327) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0028490 k( 328) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0028490 k( 329) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0028490 k( 330) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0028490 k( 331) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0028490 k( 332) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0028490 k( 333) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0028490 k( 334) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0028490 k( 335) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028490 k( 336) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0028490 k( 337) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0028490 k( 338) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0028490 k( 339) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0028490 k( 340) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0028490 k( 341) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0028490 k( 342) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0028490 k( 343) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0028490 k( 344) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0028490 k( 345) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0028490 k( 346) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0028490 k( 347) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0028490 k( 348) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0028490 k( 349) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0028490 k( 350) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0028490 k( 351) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028490 Dense grid: 29981 G-vectors FFT dimensions: ( 40, 40, 48) Smooth grid: 20429 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 156, 48) NL pseudopotentials 0.20 Mb ( 78, 164) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 837) G-vector shells 0.00 Mb ( 432) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 156, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.24 Mb ( 164, 2, 48) The potential is recalculated from file : ./Fe2Ge.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.5 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.4 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.2 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.4 secs Computing kpt #: 30 total cpu time spent up to now is 14.8 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.2 secs Computing kpt #: 37 total cpu time spent up to now is 17.6 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.3 secs Computing kpt #: 40 total cpu time spent up to now is 18.7 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.4 secs Computing kpt #: 43 total cpu time spent up to now is 19.7 secs Computing kpt #: 44 total cpu time spent up to now is 20.1 secs Computing kpt #: 45 total cpu time spent up to now is 20.4 secs Computing kpt #: 46 total cpu time spent up to now is 20.8 secs Computing kpt #: 47 total cpu time spent up to now is 21.1 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.8 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.6 secs Computing kpt #: 52 total cpu time spent up to now is 23.2 secs Computing kpt #: 53 total cpu time spent up to now is 23.7 secs Computing kpt #: 54 total cpu time spent up to now is 24.4 secs Computing kpt #: 55 total cpu time spent up to now is 24.8 secs Computing kpt #: 56 total cpu time spent up to now is 25.2 secs Computing kpt #: 57 total cpu time spent up to now is 25.5 secs Computing kpt #: 58 total cpu time spent up to now is 25.9 secs Computing kpt #: 59 total cpu time spent up to now is 26.3 secs Computing kpt #: 60 total cpu time spent up to now is 26.7 secs Computing kpt #: 61 total cpu time spent up to now is 27.0 secs Computing kpt #: 62 total cpu time spent up to now is 27.4 secs Computing kpt #: 63 total cpu time spent up to now is 27.7 secs Computing kpt #: 64 total cpu time spent up to now is 28.1 secs Computing kpt #: 65 total cpu time spent up to now is 28.4 secs Computing kpt #: 66 total cpu time spent up to now is 28.8 secs Computing kpt #: 67 total cpu time spent up to now is 29.1 secs Computing kpt #: 68 total cpu time spent up to now is 29.5 secs Computing kpt #: 69 total cpu time spent up to now is 29.8 secs Computing kpt #: 70 total cpu time spent up to now is 30.1 secs Computing kpt #: 71 total cpu time spent up to now is 30.5 secs Computing kpt #: 72 total cpu time spent up to now is 30.8 secs Computing kpt #: 73 total cpu time spent up to now is 31.2 secs Computing kpt #: 74 total cpu time spent up to now is 31.5 secs Computing kpt #: 75 total cpu time spent up to now is 31.9 secs Computing kpt #: 76 total cpu time spent up to now is 32.2 secs Computing kpt #: 77 total cpu time spent up to now is 32.6 secs Computing kpt #: 78 total cpu time spent up to now is 32.9 secs Computing kpt #: 79 total cpu time spent up to now is 33.2 secs Computing kpt #: 80 total cpu time spent up to now is 33.6 secs Computing kpt #: 81 total cpu time spent up to now is 33.9 secs Computing kpt #: 82 total cpu time spent up to now is 34.3 secs Computing kpt #: 83 total cpu time spent up to now is 34.6 secs Computing kpt #: 84 total cpu time spent up to now is 35.0 secs Computing kpt #: 85 total cpu time spent up to now is 35.3 secs Computing kpt #: 86 total cpu time spent up to now is 35.7 secs Computing kpt #: 87 total cpu time spent up to now is 36.1 secs Computing kpt #: 88 total cpu time spent up to now is 36.4 secs Computing kpt #: 89 total cpu time spent up to now is 36.7 secs Computing kpt #: 90 total cpu time spent up to now is 37.1 secs Computing kpt #: 91 total cpu time spent up to now is 37.4 secs Computing kpt #: 92 total cpu time spent up to now is 37.8 secs Computing kpt #: 93 total cpu time spent up to now is 38.1 secs Computing kpt #: 94 total cpu time spent up to now is 38.5 secs Computing kpt #: 95 total cpu time spent up to now is 38.8 secs Computing kpt #: 96 total cpu time spent up to now is 39.2 secs Computing kpt #: 97 total cpu time spent up to now is 39.5 secs Computing kpt #: 98 total cpu time spent up to now is 39.9 secs Computing kpt #: 99 total cpu time spent up to now is 40.3 secs Computing kpt #: 100 total cpu time spent up to now is 40.6 secs Computing kpt #: 101 total cpu time spent up to now is 41.1 secs Computing kpt #: 102 total cpu time spent up to now is 41.5 secs Computing kpt #: 103 total cpu time spent up to now is 42.0 secs Computing kpt #: 104 total cpu time spent up to now is 42.5 secs Computing kpt #: 105 total cpu time spent up to now is 43.2 secs Computing kpt #: 106 total cpu time spent up to now is 43.8 secs Computing kpt #: 107 total cpu time spent up to now is 44.3 secs Computing kpt #: 108 total cpu time spent up to now is 44.9 secs Computing kpt #: 109 total cpu time spent up to now is 45.4 secs Computing kpt #: 110 total cpu time spent up to now is 45.9 secs Computing kpt #: 111 total cpu time spent up to now is 46.3 secs Computing kpt #: 112 total cpu time spent up to now is 46.8 secs Computing kpt #: 113 total cpu time spent up to now is 47.3 secs Computing kpt #: 114 total cpu time spent up to now is 47.7 secs Computing kpt #: 115 total cpu time spent up to now is 48.1 secs Computing kpt #: 116 total cpu time spent up to now is 48.6 secs Computing kpt #: 117 total cpu time spent up to now is 49.0 secs Computing kpt #: 118 total cpu time spent up to now is 49.5 secs Computing kpt #: 119 total cpu time spent up to now is 49.9 secs Computing kpt #: 120 total cpu time spent up to now is 50.4 secs Computing kpt #: 121 total cpu time spent up to now is 50.8 secs Computing kpt #: 122 total cpu time spent up to now is 51.3 secs Computing kpt #: 123 total cpu time spent up to now is 51.7 secs Computing kpt #: 124 total cpu time spent up to now is 52.2 secs Computing kpt #: 125 total cpu time spent up to now is 52.6 secs Computing kpt #: 126 total cpu time spent up to now is 53.1 secs Computing kpt #: 127 total cpu time spent up to now is 53.5 secs Computing kpt #: 128 total cpu time spent up to now is 54.0 secs Computing kpt #: 129 total cpu time spent up to now is 54.5 secs Computing kpt #: 130 total cpu time spent up to now is 55.0 secs Computing kpt #: 131 total cpu time spent up to now is 55.5 secs Computing kpt #: 132 total cpu time spent up to now is 56.0 secs Computing kpt #: 133 total cpu time spent up to now is 56.6 secs Computing kpt #: 134 total cpu time spent up to now is 57.1 secs Computing kpt #: 135 total cpu time spent up to now is 57.7 secs Computing kpt #: 136 total cpu time spent up to now is 58.1 secs Computing kpt #: 137 total cpu time spent up to now is 58.5 secs Computing kpt #: 138 total cpu time spent up to now is 58.9 secs Computing kpt #: 139 total cpu time spent up to now is 59.3 secs Computing kpt #: 140 total cpu time spent up to now is 59.7 secs Computing kpt #: 141 total cpu time spent up to now is 60.0 secs Computing kpt #: 142 total cpu time spent up to now is 60.4 secs Computing kpt #: 143 total cpu time spent up to now is 60.8 secs Computing kpt #: 144 total cpu time spent up to now is 61.1 secs Computing kpt #: 145 total cpu time spent up to now is 61.5 secs Computing kpt #: 146 total cpu time spent up to now is 61.9 secs Computing kpt #: 147 total cpu time spent up to now is 62.2 secs Computing kpt #: 148 total cpu time spent up to now is 62.6 secs Computing kpt #: 149 total cpu time spent up to now is 62.9 secs Computing kpt #: 150 total cpu time spent up to now is 63.3 secs Computing kpt #: 151 total cpu time spent up to now is 63.6 secs Computing kpt #: 152 total cpu time spent up to now is 64.0 secs Computing kpt #: 153 total cpu time spent up to now is 64.4 secs Computing kpt #: 154 total cpu time spent up to now is 64.7 secs Computing kpt #: 155 total cpu time spent up to now is 65.1 secs Computing kpt #: 156 total cpu time spent up to now is 65.4 secs Computing kpt #: 157 total cpu time spent up to now is 65.7 secs Computing kpt #: 158 total cpu time spent up to now is 66.1 secs Computing kpt #: 159 total cpu time spent up to now is 66.4 secs Computing kpt #: 160 total cpu time spent up to now is 66.8 secs Computing kpt #: 161 total cpu time spent up to now is 67.1 secs Computing kpt #: 162 total cpu time spent up to now is 67.4 secs Computing kpt #: 163 total cpu time spent up to now is 67.8 secs Computing kpt #: 164 total cpu time spent up to now is 68.1 secs Computing kpt #: 165 total cpu time spent up to now is 68.5 secs Computing kpt #: 166 total cpu time spent up to now is 68.9 secs Computing kpt #: 167 total cpu time spent up to now is 69.2 secs Computing kpt #: 168 total cpu time spent up to now is 69.6 secs Computing kpt #: 169 total cpu time spent up to now is 69.9 secs Computing kpt #: 170 total cpu time spent up to now is 70.3 secs Computing kpt #: 171 total cpu time spent up to now is 70.6 secs Computing kpt #: 172 total cpu time spent up to now is 70.9 secs Computing kpt #: 173 total cpu time spent up to now is 71.3 secs Computing kpt #: 174 total cpu time spent up to now is 71.6 secs Computing kpt #: 175 total cpu time spent up to now is 71.9 secs Computing kpt #: 176 total cpu time spent up to now is 72.3 secs Computing kpt #: 177 total cpu time spent up to now is 72.7 secs Computing kpt #: 178 total cpu time spent up to now is 73.0 secs Computing kpt #: 179 total cpu time spent up to now is 73.4 secs Computing kpt #: 180 total cpu time spent up to now is 73.7 secs Computing kpt #: 181 total cpu time spent up to now is 74.1 secs Computing kpt #: 182 total cpu time spent up to now is 74.4 secs Computing kpt #: 183 total cpu time spent up to now is 74.7 secs Computing kpt #: 184 total cpu time spent up to now is 75.1 secs Computing kpt #: 185 total cpu time spent up to now is 75.4 secs Computing kpt #: 186 total cpu time spent up to now is 75.8 secs Computing kpt #: 187 total cpu time spent up to now is 76.1 secs Computing kpt #: 188 total cpu time spent up to now is 76.5 secs Computing kpt #: 189 total cpu time spent up to now is 76.8 secs Computing kpt #: 190 total cpu time spent up to now is 77.1 secs Computing kpt #: 191 total cpu time spent up to now is 77.5 secs Computing kpt #: 192 total cpu time spent up to now is 78.0 secs Computing kpt #: 193 total cpu time spent up to now is 78.3 secs Computing kpt #: 194 total cpu time spent up to now is 78.7 secs Computing kpt #: 195 total cpu time spent up to now is 79.0 secs Computing kpt #: 196 total cpu time spent up to now is 79.3 secs Computing kpt #: 197 total cpu time spent up to now is 79.6 secs Computing kpt #: 198 total cpu time spent up to now is 80.0 secs Computing kpt #: 199 total cpu time spent up to now is 80.3 secs Computing kpt #: 200 total cpu time spent up to now is 80.6 secs Computing kpt #: 201 total cpu time spent up to now is 80.9 secs Computing kpt #: 202 total cpu time spent up to now is 81.3 secs Computing kpt #: 203 total cpu time spent up to now is 81.6 secs Computing kpt #: 204 total cpu time spent up to now is 81.9 secs Computing kpt #: 205 total cpu time spent up to now is 82.2 secs Computing kpt #: 206 total cpu time spent up to now is 82.5 secs Computing kpt #: 207 total cpu time spent up to now is 82.9 secs Computing kpt #: 208 total cpu time spent up to now is 83.2 secs Computing kpt #: 209 total cpu time spent up to now is 83.5 secs Computing kpt #: 210 total cpu time spent up to now is 83.8 secs Computing kpt #: 211 total cpu time spent up to now is 84.2 secs Computing kpt #: 212 total cpu time spent up to now is 84.5 secs Computing kpt #: 213 total cpu time spent up to now is 84.8 secs Computing kpt #: 214 total cpu time spent up to now is 85.2 secs Computing kpt #: 215 total cpu time spent up to now is 85.5 secs Computing kpt #: 216 total cpu time spent up to now is 85.9 secs Computing kpt #: 217 total cpu time spent up to now is 86.2 secs Computing kpt #: 218 total cpu time spent up to now is 86.5 secs Computing kpt #: 219 total cpu time spent up to now is 86.9 secs Computing kpt #: 220 total cpu time spent up to now is 87.2 secs Computing kpt #: 221 total cpu time spent up to now is 87.6 secs Computing kpt #: 222 total cpu time spent up to now is 87.9 secs Computing kpt #: 223 total cpu time spent up to now is 88.3 secs Computing kpt #: 224 total cpu time spent up to now is 88.6 secs Computing kpt #: 225 total cpu time spent up to now is 89.0 secs Computing kpt #: 226 total cpu time spent up to now is 89.3 secs Computing kpt #: 227 total cpu time spent up to now is 89.6 secs Computing kpt #: 228 total cpu time spent up to now is 90.0 secs Computing kpt #: 229 total cpu time spent up to now is 90.3 secs Computing kpt #: 230 total cpu time spent up to now is 90.7 secs Computing kpt #: 231 total cpu time spent up to now is 91.0 secs Computing kpt #: 232 total cpu time spent up to now is 91.4 secs Computing kpt #: 233 total cpu time spent up to now is 91.7 secs Computing kpt #: 234 total cpu time spent up to now is 92.0 secs Computing kpt #: 235 total cpu time spent up to now is 92.4 secs Computing kpt #: 236 total cpu time spent up to now is 92.7 secs Computing kpt #: 237 total cpu time spent up to now is 93.1 secs Computing kpt #: 238 total cpu time spent up to now is 93.4 secs Computing kpt #: 239 total cpu time spent up to now is 93.8 secs Computing kpt #: 240 total cpu time spent up to now is 94.2 secs Computing kpt #: 241 total cpu time spent up to now is 94.6 secs Computing kpt #: 242 total cpu time spent up to now is 95.0 secs Computing kpt #: 243 total cpu time spent up to now is 95.4 secs Computing kpt #: 244 total cpu time spent up to now is 95.8 secs Computing kpt #: 245 total cpu time spent up to now is 96.1 secs Computing kpt #: 246 total cpu time spent up to now is 96.6 secs Computing kpt #: 247 total cpu time spent up to now is 96.9 secs Computing kpt #: 248 total cpu time spent up to now is 97.4 secs Computing kpt #: 249 total cpu time spent up to now is 97.8 secs Computing kpt #: 250 total cpu time spent up to now is 98.2 secs Computing kpt #: 251 total cpu time spent up to now is 98.6 secs Computing kpt #: 252 total cpu time spent up to now is 98.9 secs Computing kpt #: 253 total cpu time spent up to now is 99.4 secs Computing kpt #: 254 total cpu time spent up to now is 99.8 secs Computing kpt #: 255 total cpu time spent up to now is 100.2 secs Computing kpt #: 256 total cpu time spent up to now is 100.6 secs Computing kpt #: 257 total cpu time spent up to now is 101.0 secs Computing kpt #: 258 total cpu time spent up to now is 101.4 secs Computing kpt #: 259 total cpu time spent up to now is 101.9 secs Computing kpt #: 260 total cpu time spent up to now is 102.3 secs Computing kpt #: 261 total cpu time spent up to now is 102.7 secs Computing kpt #: 262 total cpu time spent up to now is 103.1 secs Computing kpt #: 263 total cpu time spent up to now is 103.5 secs Computing kpt #: 264 total cpu time spent up to now is 103.9 secs Computing kpt #: 265 total cpu time spent up to now is 104.3 secs Computing kpt #: 266 total cpu time spent up to now is 104.8 secs Computing kpt #: 267 total cpu time spent up to now is 105.2 secs Computing kpt #: 268 total cpu time spent up to now is 105.5 secs Computing kpt #: 269 total cpu time spent up to now is 105.9 secs Computing kpt #: 270 total cpu time spent up to now is 106.4 secs Computing kpt #: 271 total cpu time spent up to now is 106.8 secs Computing kpt #: 272 total cpu time spent up to now is 107.1 secs Computing kpt #: 273 total cpu time spent up to now is 107.5 secs Computing kpt #: 274 total cpu time spent up to now is 107.8 secs Computing kpt #: 275 total cpu time spent up to now is 108.1 secs Computing kpt #: 276 total cpu time spent up to now is 108.5 secs Computing kpt #: 277 total cpu time spent up to now is 108.8 secs Computing kpt #: 278 total cpu time spent up to now is 109.2 secs Computing kpt #: 279 total cpu time spent up to now is 109.5 secs Computing kpt #: 280 total cpu time spent up to now is 109.9 secs Computing kpt #: 281 total cpu time spent up to now is 110.2 secs Computing kpt #: 282 total cpu time spent up to now is 110.5 secs Computing kpt #: 283 total cpu time spent up to now is 110.9 secs Computing kpt #: 284 total cpu time spent up to now is 111.2 secs Computing kpt #: 285 total cpu time spent up to now is 111.6 secs Computing kpt #: 286 total cpu time spent up to now is 111.9 secs Computing kpt #: 287 total cpu time spent up to now is 112.2 secs Computing kpt #: 288 total cpu time spent up to now is 112.5 secs Computing kpt #: 289 total cpu time spent up to now is 112.8 secs Computing kpt #: 290 total cpu time spent up to now is 113.2 secs Computing kpt #: 291 total cpu time spent up to now is 113.6 secs Computing kpt #: 292 total cpu time spent up to now is 114.0 secs Computing kpt #: 293 total cpu time spent up to now is 114.3 secs Computing kpt #: 294 total cpu time spent up to now is 114.7 secs Computing kpt #: 295 total cpu time spent up to now is 115.1 secs Computing kpt #: 296 total cpu time spent up to now is 115.4 secs Computing kpt #: 297 total cpu time spent up to now is 115.8 secs Computing kpt #: 298 total cpu time spent up to now is 116.1 secs Computing kpt #: 299 total cpu time spent up to now is 116.4 secs Computing kpt #: 300 total cpu time spent up to now is 116.8 secs Computing kpt #: 301 total cpu time spent up to now is 117.1 secs Computing kpt #: 302 total cpu time spent up to now is 117.5 secs Computing kpt #: 303 total cpu time spent up to now is 117.8 secs Computing kpt #: 304 total cpu time spent up to now is 118.2 secs Computing kpt #: 305 total cpu time spent up to now is 118.5 secs Computing kpt #: 306 total cpu time spent up to now is 118.8 secs Computing kpt #: 307 total cpu time spent up to now is 119.2 secs Computing kpt #: 308 total cpu time spent up to now is 119.5 secs Computing kpt #: 309 total cpu time spent up to now is 120.0 secs Computing kpt #: 310 total cpu time spent up to now is 120.4 secs Computing kpt #: 311 total cpu time spent up to now is 120.7 secs Computing kpt #: 312 total cpu time spent up to now is 121.1 secs Computing kpt #: 313 total cpu time spent up to now is 121.5 secs Computing kpt #: 314 total cpu time spent up to now is 121.8 secs Computing kpt #: 315 total cpu time spent up to now is 122.2 secs Computing kpt #: 316 total cpu time spent up to now is 122.5 secs Computing kpt #: 317 total cpu time spent up to now is 122.9 secs Computing kpt #: 318 total cpu time spent up to now is 123.2 secs Computing kpt #: 319 total cpu time spent up to now is 123.6 secs Computing kpt #: 320 total cpu time spent up to now is 123.9 secs Computing kpt #: 321 total cpu time spent up to now is 124.3 secs Computing kpt #: 322 total cpu time spent up to now is 124.6 secs Computing kpt #: 323 total cpu time spent up to now is 124.9 secs Computing kpt #: 324 total cpu time spent up to now is 125.3 secs Computing kpt #: 325 total cpu time spent up to now is 125.6 secs Computing kpt #: 326 total cpu time spent up to now is 126.0 secs Computing kpt #: 327 total cpu time spent up to now is 126.4 secs Computing kpt #: 328 total cpu time spent up to now is 126.7 secs Computing kpt #: 329 total cpu time spent up to now is 127.1 secs Computing kpt #: 330 total cpu time spent up to now is 127.4 secs Computing kpt #: 331 total cpu time spent up to now is 127.7 secs Computing kpt #: 332 total cpu time spent up to now is 128.1 secs Computing kpt #: 333 total cpu time spent up to now is 128.4 secs Computing kpt #: 334 total cpu time spent up to now is 128.8 secs Computing kpt #: 335 total cpu time spent up to now is 129.1 secs Computing kpt #: 336 total cpu time spent up to now is 129.5 secs Computing kpt #: 337 total cpu time spent up to now is 129.8 secs Computing kpt #: 338 total cpu time spent up to now is 130.2 secs Computing kpt #: 339 total cpu time spent up to now is 130.5 secs Computing kpt #: 340 total cpu time spent up to now is 130.8 secs Computing kpt #: 341 total cpu time spent up to now is 131.2 secs Computing kpt #: 342 total cpu time spent up to now is 131.5 secs Computing kpt #: 343 total cpu time spent up to now is 131.9 secs Computing kpt #: 344 total cpu time spent up to now is 132.2 secs Computing kpt #: 345 total cpu time spent up to now is 132.6 secs Computing kpt #: 346 total cpu time spent up to now is 132.9 secs Computing kpt #: 347 total cpu time spent up to now is 133.2 secs Computing kpt #: 348 total cpu time spent up to now is 133.6 secs Computing kpt #: 349 total cpu time spent up to now is 133.9 secs Computing kpt #: 350 total cpu time spent up to now is 134.3 secs Computing kpt #: 351 total cpu time spent up to now is 134.6 secs ethr = 2.50E-08, avg # of iterations = 16.9 total cpu time spent up to now is 134.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2559 PWs) bands (ev): 0.4884 0.4884 4.3166 4.3166 7.1391 7.1391 8.3945 8.3945 8.4370 8.4370 9.8300 9.8300 9.8471 9.8471 9.8770 9.8770 10.1579 10.1579 10.1707 10.1707 10.4877 10.4877 10.4907 10.4907 12.1139 12.1139 12.1798 12.1798 12.2596 12.2596 12.7062 12.7062 12.7334 12.7334 12.8125 12.8125 12.8667 12.8667 13.0663 13.0663 13.5401 13.5401 13.5655 13.5655 14.2860 14.2860 15.6904 15.6904 k = 0.0111 0.0064-0.0000 ( 2563 PWs) bands (ev): 0.4899 0.4899 4.3165 4.3165 7.1402 7.1402 8.3949 8.3949 8.4374 8.4374 9.8024 9.8024 9.8401 9.8401 9.9100 9.9100 10.1580 10.1580 10.1708 10.1708 10.4866 10.4866 10.4902 10.4902 12.1134 12.1134 12.1793 12.1793 12.2591 12.2591 12.7061 12.7061 12.7331 12.7331 12.8111 12.8111 12.8652 12.8652 13.0676 13.0676 13.5396 13.5396 13.5651 13.5651 14.2852 14.2852 15.6888 15.6888 k = 0.0222 0.0128-0.0000 ( 2559 PWs) bands (ev): 0.4942 0.4942 4.3162 4.3162 7.1436 7.1436 8.3962 8.3962 8.4389 8.4389 9.7528 9.7528 9.8405 9.8405 9.9546 9.9546 10.1580 10.1580 10.1713 10.1713 10.4824 10.4824 10.4899 10.4899 12.1123 12.1123 12.1781 12.1781 12.2577 12.2577 12.7058 12.7058 12.7323 12.7323 12.8071 12.8071 12.8609 12.8609 13.0712 13.0712 13.5384 13.5384 13.5638 13.5638 14.2830 14.2830 15.6831 15.6831 k = 0.0333 0.0192-0.0000 ( 2553 PWs) bands (ev): 0.5013 0.5013 4.3157 4.3157 7.1492 7.1492 8.3982 8.3982 8.4413 8.4413 9.6995 9.6995 9.8424 9.8424 9.9985 9.9985 10.1573 10.1573 10.1728 10.1728 10.4747 10.4747 10.4902 10.4902 12.1105 12.1105 12.1760 12.1760 12.2552 12.2552 12.7053 12.7053 12.7308 12.7308 12.8008 12.8008 12.8542 12.8542 13.0767 13.0767 13.5362 13.5362 13.5617 13.5617 14.2794 14.2794 15.6707 15.6707 k = 0.0444 0.0257-0.0000 ( 2547 PWs) bands (ev): 0.5113 0.5113 4.3150 4.3150 7.1570 7.1570 8.4006 8.4006 8.4450 8.4450 9.6437 9.6437 9.8452 9.8452 10.0408 10.0408 10.1557 10.1557 10.1756 10.1756 10.4642 10.4642 10.4908 10.4908 12.1078 12.1078 12.1732 12.1732 12.2518 12.2518 12.7045 12.7045 12.7288 12.7288 12.7924 12.7924 12.8453 12.8453 13.0835 13.0835 13.5330 13.5330 13.5589 13.5589 14.2744 14.2744 15.6469 15.6469 k = 0.0556 0.0321-0.0000 ( 2547 PWs) bands (ev): 0.5241 0.5241 4.3140 4.3140 7.1671 7.1671 8.4031 8.4031 8.4502 8.4502 9.5858 9.5858 9.8486 9.8486 10.0809 10.0809 10.1529 10.1529 10.1799 10.1799 10.4511 10.4511 10.4916 10.4916 12.1042 12.1042 12.1696 12.1696 12.2473 12.2473 12.7033 12.7033 12.7259 12.7259 12.7826 12.7826 12.8346 12.8346 13.0910 13.0910 13.5286 13.5286 13.5556 13.5556 14.2680 14.2680 15.6053 15.6053 k = 0.0667 0.0385-0.0000 ( 2545 PWs) bands (ev): 0.5398 0.5398 4.3128 4.3128 7.1794 7.1794 8.4054 8.4054 8.4570 8.4570 9.5257 9.5257 9.8528 9.8528 10.1179 10.1179 10.1500 10.1500 10.1857 10.1857 10.4365 10.4365 10.4925 10.4925 12.0998 12.0998 12.1655 12.1655 12.2419 12.2419 12.7016 12.7016 12.7220 12.7220 12.7721 12.7721 12.8223 12.8223 13.0985 13.0985 13.5230 13.5230 13.5520 13.5520 14.2603 14.2603 15.5405 15.5405 k = 0.0778 0.0449-0.0000 ( 2537 PWs) bands (ev): 0.5583 0.5583 4.3112 4.3112 7.1939 7.1939 8.4071 8.4071 8.4658 8.4658 9.4637 9.4637 9.8578 9.8578 10.1391 10.1391 10.1588 10.1588 10.1934 10.1934 10.4209 10.4209 10.4937 10.4937 12.0946 12.0946 12.1609 12.1609 12.2353 12.2353 12.6993 12.6993 12.7166 12.7166 12.7618 12.7618 12.8085 12.8085 13.1058 13.1058 13.5160 13.5160 13.5484 13.5484 14.2514 14.2514 15.4523 15.4523 k = 0.0889 0.0513-0.0000 ( 2549 PWs) bands (ev): 0.5796 0.5796 4.3092 4.3092 7.2106 7.2106 8.4078 8.4078 8.4764 8.4764 9.3998 9.3998 9.8634 9.8634 10.1356 10.1356 10.1851 10.1851 10.2052 10.2052 10.4056 10.4056 10.4949 10.4949 12.0882 12.0882 12.1556 12.1556 12.2276 12.2276 12.6957 12.6957 12.7094 12.7094 12.7525 12.7525 12.7933 12.7933 13.1124 13.1124 13.5077 13.5077 13.5445 13.5445 14.2412 14.2412 15.3462 15.3462 k = 0.1000 0.0577-0.0000 ( 2553 PWs) bands (ev): 0.6036 0.6036 4.3069 4.3069 7.2295 7.2295 8.4073 8.4073 8.4890 8.4890 9.3341 9.3341 9.8696 9.8696 10.1292 10.1292 10.2020 10.2020 10.2248 10.2248 10.3926 10.3926 10.4964 10.4964 12.0808 12.0808 12.1499 12.1499 12.2188 12.2188 12.6902 12.6902 12.7011 12.7011 12.7449 12.7449 12.7772 12.7772 13.1181 13.1181 13.4981 13.4981 13.5407 13.5407 14.2301 14.2301 15.2286 15.2286 k = 0.1111 0.0642-0.0000 ( 2557 PWs) bands (ev): 0.6305 0.6305 4.3040 4.3040 7.2505 7.2505 8.4053 8.4053 8.5035 8.5035 9.2673 9.2673 9.8765 9.8765 10.1215 10.1215 10.2136 10.2136 10.2440 10.2440 10.3853 10.3853 10.4980 10.4980 12.0723 12.0723 12.1439 12.1439 12.2090 12.2090 12.6804 12.6804 12.6937 12.6937 12.7389 12.7389 12.7603 12.7603 13.1227 13.1227 13.4874 13.4874 13.5369 13.5369 14.2179 14.2179 15.1048 15.1048 k = 0.1222 0.0706-0.0000 ( 2549 PWs) bands (ev): 0.6600 0.6600 4.3006 4.3006 7.2737 7.2737 8.4012 8.4012 8.5199 8.5199 9.1999 9.1999 9.8840 9.8840 10.1128 10.1128 10.2246 10.2246 10.2543 10.2543 10.3877 10.3877 10.4999 10.4999 12.0628 12.0628 12.1377 12.1377 12.1981 12.1981 12.6664 12.6664 12.6877 12.6877 12.7337 12.7337 12.7434 12.7434 13.1261 13.1261 13.4757 13.4757 13.5332 13.5332 14.2047 14.2047 14.9778 14.9778 k = 0.1333 0.0770-0.0000 ( 2553 PWs) bands (ev): 0.6923 0.6923 4.2965 4.2965 7.2990 7.2990 8.3943 8.3943 8.5379 8.5379 9.1325 9.1325 9.8920 9.8920 10.1031 10.1031 10.2347 10.2347 10.2549 10.2549 10.4008 10.4008 10.5019 10.5019 12.0522 12.0522 12.1311 12.1311 12.1860 12.1860 12.6494 12.6494 12.6815 12.6815 12.7236 12.7236 12.7319 12.7319 13.1281 13.1281 13.4631 13.4631 13.5296 13.5296 14.1907 14.1907 14.8498 14.8498 k = 0.1444 0.0834-0.0000 ( 2553 PWs) bands (ev): 0.7273 0.7273 4.2918 4.2918 7.3264 7.3264 8.3837 8.3837 8.5575 8.5575 9.0663 9.0663 9.9005 9.9005 10.0925 10.0925 10.2369 10.2369 10.2567 10.2567 10.4217 10.4217 10.5041 10.5041 12.0406 12.0406 12.1243 12.1243 12.1728 12.1728 12.6299 12.6299 12.6751 12.6751 12.7075 12.7075 12.7273 12.7273 13.1287 13.1287 13.4498 13.4498 13.5260 13.5260 14.1759 14.1759 14.7221 14.7221 k = 0.1556 0.0898-0.0000 ( 2553 PWs) bands (ev): 0.7650 0.7650 4.2862 4.2862 7.3558 7.3558 8.3680 8.3680 8.5788 8.5788 9.0028 9.0028 9.9094 9.9094 10.0807 10.0807 10.2270 10.2270 10.2678 10.2678 10.4465 10.4465 10.5066 10.5066 12.0280 12.0280 12.1174 12.1174 12.1586 12.1586 12.6081 12.6081 12.6680 12.6680 12.6917 12.6917 12.7235 12.7235 13.1278 13.1278 13.4361 13.4361 13.5225 13.5225 14.1602 14.1602 14.5955 14.5955 k = 0.1667 0.0962-0.0000 ( 2555 PWs) bands (ev): 0.8052 0.8052 4.2797 4.2797 7.3873 7.3873 8.3456 8.3456 8.6016 8.6016 8.9438 8.9438 9.9186 9.9186 10.0680 10.0680 10.2140 10.2140 10.2819 10.2819 10.4731 10.4731 10.5093 10.5093 12.0143 12.0143 12.1100 12.1100 12.1432 12.1432 12.5840 12.5840 12.6603 12.6603 12.6769 12.6769 12.7195 12.7195 13.1254 13.1254 13.4220 13.4220 13.5192 13.5192 14.1439 14.1439 14.4708 14.4708 k = 0.1778 0.1026-0.0000 ( 2546 PWs) bands (ev): 0.8481 0.8481 4.2722 4.2722 7.4207 7.4207 8.3148 8.3148 8.6259 8.6259 8.8917 8.8917 9.9281 9.9281 10.0543 10.0543 10.2008 10.2008 10.2973 10.2973 10.5001 10.5001 10.5126 10.5126 11.9998 11.9998 12.1022 12.1022 12.1268 12.1268 12.5578 12.5578 12.6519 12.6519 12.6632 12.6632 12.7155 12.7155 13.1214 13.1214 13.4078 13.4078 13.5161 13.5161 14.1269 14.1269 14.3484 14.3484 k = 0.1889 0.1091-0.0000 ( 2554 PWs) bands (ev): 0.8934 0.8934 4.2637 4.2637 7.4561 7.4561 8.2741 8.2741 8.6515 8.6515 8.8480 8.8480 9.9376 9.9376 10.0395 10.0395 10.1885 10.1885 10.3137 10.3137 10.5147 10.5147 10.5285 10.5285 11.9842 11.9842 12.0940 12.0940 12.1093 12.1093 12.5295 12.5295 12.6428 12.6428 12.6505 12.6505 12.7110 12.7110 13.1158 13.1158 13.3934 13.3934 13.5131 13.5131 14.1088 14.1088 14.2291 14.2291 k = 0.2000 0.1155-0.0000 ( 2550 PWs) bands (ev): 0.9413 0.9413 4.2539 4.2539 7.4935 7.4935 8.2229 8.2229 8.6783 8.6783 8.8141 8.8141 9.9471 9.9471 10.0239 10.0239 10.1776 10.1776 10.3311 10.3311 10.5185 10.5185 10.5554 10.5554 11.9678 11.9678 12.0852 12.0852 12.0909 12.0909 12.4998 12.4998 12.6328 12.6328 12.6388 12.6388 12.7062 12.7062 13.1085 13.1085 13.3792 13.3792 13.5104 13.5104 14.0869 14.0869 14.1162 14.1162 k = 0.2111 0.1219-0.0000 ( 2546 PWs) bands (ev): 0.9916 0.9916 4.2427 4.2427 7.5326 7.5326 8.1616 8.1616 8.7061 8.7061 8.7903 8.7903 9.9562 9.9562 10.0074 10.0074 10.1681 10.1681 10.3494 10.3494 10.5224 10.5224 10.5824 10.5824 11.9506 11.9506 12.0714 12.0714 12.0758 12.0758 12.4686 12.4686 12.6221 12.6221 12.6282 12.6282 12.7011 12.7011 13.0995 13.0995 13.3653 13.3653 13.5079 13.5079 13.9968 13.9968 14.0745 14.0745 k = 0.2222 0.1283-0.0000 ( 2544 PWs) bands (ev): 1.0443 1.0443 4.2301 4.2301 7.5736 7.5736 8.0915 8.0915 8.7337 8.7337 8.7768 8.7768 9.9634 9.9634 9.9914 9.9914 10.1602 10.1602 10.3685 10.3685 10.5267 10.5267 10.6090 10.6090 11.9326 11.9326 12.0511 12.0511 12.0655 12.0655 12.4363 12.4363 12.6109 12.6109 12.6181 12.6181 12.6955 12.6955 13.0889 13.0889 13.3518 13.3518 13.5056 13.5056 13.8886 13.8886 14.0544 14.0544 k = 0.2333 0.1347-0.0000 ( 2544 PWs) bands (ev): 1.0993 1.0993 4.2159 4.2159 7.6162 7.6162 8.0146 8.0146 8.7527 8.7527 8.7804 8.7804 9.9606 9.9606 9.9838 9.9838 10.1537 10.1537 10.3884 10.3884 10.5313 10.5313 10.6351 10.6351 11.9138 11.9138 12.0299 12.0299 12.0543 12.0543 12.4032 12.4032 12.5992 12.5992 12.6083 12.6083 12.6894 12.6894 13.0765 13.0765 13.3387 13.3387 13.5036 13.5036 13.7842 13.7842 14.0343 14.0343 k = 0.2444 0.1411-0.0000 ( 2540 PWs) bands (ev): 1.1566 1.1566 4.1999 4.1999 7.6605 7.6605 7.9326 7.9326 8.7571 8.7571 8.8062 8.8062 9.9436 9.9436 9.9887 9.9887 10.1485 10.1485 10.4091 10.4091 10.5363 10.5363 10.6608 10.6608 11.8943 11.8943 12.0079 12.0079 12.0419 12.0419 12.3694 12.3694 12.5873 12.5873 12.5990 12.5990 12.6831 12.6831 13.0624 13.0624 13.3260 13.3260 13.5017 13.5017 13.6848 13.6848 14.0138 14.0138 k = 0.2556 0.1475-0.0000 ( 2534 PWs) bands (ev): 1.2160 1.2160 4.1820 4.1820 7.7058 7.7058 7.8478 7.8478 8.7616 8.7616 8.8382 8.8382 9.9225 9.9225 9.9959 9.9959 10.1443 10.1443 10.4304 10.4304 10.5418 10.5418 10.6860 10.6860 11.8741 11.8741 11.9853 11.9853 12.0283 12.0283 12.3351 12.3351 12.5749 12.5749 12.5903 12.5903 12.6763 12.6763 13.0464 13.0464 13.3138 13.3138 13.4998 13.4998 13.5912 13.5912 13.9917 13.9917 k = 0.2667 0.1540-0.0000 ( 2536 PWs) bands (ev): 1.2775 1.2775 4.1621 4.1621 7.7408 7.7408 7.7727 7.7727 8.7695 8.7695 8.8722 8.8722 9.8993 9.8993 10.0028 10.0028 10.1406 10.1406 10.4524 10.4524 10.5476 10.5476 10.7107 10.7107 11.8531 11.8531 11.9622 11.9622 12.0133 12.0133 12.3006 12.3006 12.5617 12.5617 12.5824 12.5824 12.6693 12.6693 13.0286 13.0286 13.3015 13.3015 13.4910 13.4910 13.5108 13.5108 13.9065 13.9065 k = 0.2778 0.1604-0.0000 ( 2538 PWs) bands (ev): 1.3410 1.3410 4.1401 4.1401 7.6674 7.6674 7.8064 7.8064 8.7809 8.7809 8.9076 8.9076 9.8745 9.8745 10.0089 10.0089 10.1372 10.1372 10.4749 10.4749 10.5542 10.5542 10.7349 10.7349 11.8316 11.8316 11.9387 11.9387 11.9968 11.9968 12.2663 12.2663 12.5476 12.5476 12.5758 12.5758 12.6618 12.6618 13.0089 13.0089 13.2884 13.2884 13.4204 13.4204 13.4997 13.4997 13.8133 13.8133 k = 0.2889 0.1668-0.0000 ( 2538 PWs) bands (ev): 1.4064 1.4064 4.1158 4.1158 7.5795 7.5795 7.8562 7.8562 8.7955 8.7955 8.9441 8.9441 9.8483 9.8483 10.0140 10.0140 10.1335 10.1335 10.4980 10.4980 10.5615 10.5615 10.7587 10.7587 11.8095 11.8095 11.9152 11.9152 11.9788 11.9788 12.2321 12.2321 12.5323 12.5323 12.5707 12.5707 12.6543 12.6543 12.9875 12.9875 13.2718 13.2718 13.3510 13.3510 13.4979 13.4979 13.7230 13.7230 k = 0.3000 0.1732-0.0000 ( 2554 PWs) bands (ev): 1.4736 1.4736 4.0890 4.0890 7.4917 7.4917 7.9079 7.9079 8.8132 8.8132 8.9815 8.9815 9.8204 9.8204 10.0178 10.0178 10.1289 10.1289 10.5216 10.5216 10.5693 10.5693 10.7819 10.7819 11.7867 11.7867 11.8918 11.8918 11.9591 11.9591 12.1982 12.1982 12.5154 12.5154 12.5671 12.5671 12.6466 12.6466 12.9643 12.9643 13.2414 13.2414 13.3020 13.3020 13.4958 13.4958 13.6366 13.6366 k = 0.3111 0.1796-0.0000 ( 2550 PWs) bands (ev): 1.5424 1.5424 4.0598 4.0598 7.4053 7.4053 7.9610 7.9610 8.8339 8.8339 9.0198 9.0198 9.7912 9.7912 10.0200 10.0200 10.1231 10.1231 10.5456 10.5456 10.5778 10.5778 10.8046 10.8046 11.7636 11.7636 11.8690 11.8690 11.9382 11.9382 12.1651 12.1651 12.4971 12.4971 12.5657 12.5657 12.6389 12.6389 12.9395 12.9395 13.1929 13.1929 13.2784 13.2784 13.4898 13.4898 13.5574 13.5574 k = 0.3222 0.1860-0.0000 ( 2550 PWs) bands (ev): 1.6127 1.6127 4.0279 4.0279 7.3211 7.3211 8.0153 8.0153 8.8574 8.8574 9.0587 9.0587 9.7604 9.7604 10.0206 10.0206 10.1153 10.1153 10.5698 10.5698 10.5870 10.5870 10.8268 10.8268 11.7400 11.7400 11.8470 11.8470 11.9161 11.9161 12.1329 12.1329 12.4773 12.4773 12.5662 12.5662 12.6314 12.6314 12.9134 12.9134 13.1417 13.1417 13.2645 13.2645 13.4528 13.4528 13.5127 13.5127 k = 0.3333 0.1925-0.0000 ( 2556 PWs) bands (ev): 1.6843 1.6843 3.9933 3.9933 7.2395 7.2395 8.0706 8.0706 8.8836 8.8836 9.0984 9.0984 9.7279 9.7279 10.0193 10.0193 10.1051 10.1051 10.5929 10.5929 10.5981 10.5981 10.8485 10.8485 11.7160 11.7160 11.8262 11.8262 11.8929 11.8929 12.1018 12.1018 12.4560 12.4560 12.5686 12.5686 12.6241 12.6241 12.8864 12.8864 13.0945 13.0945 13.2528 13.2528 13.3817 13.3817 13.5056 13.5056 k = 0.3444 0.1989-0.0000 ( 2556 PWs) bands (ev): 1.7571 1.7571 3.9560 3.9560 7.1613 7.1613 8.1269 8.1269 8.9124 8.9124 9.1385 9.1385 9.6940 9.6940 10.0161 10.0161 10.0920 10.0920 10.6057 10.6057 10.6202 10.6202 10.8696 10.8696 11.6919 11.6919 11.8071 11.8071 11.8692 11.8692 12.0721 12.0721 12.4335 12.4335 12.5727 12.5727 12.6175 12.6175 12.8586 12.8586 13.0526 13.0526 13.2415 13.2415 13.3088 13.3088 13.5042 13.5042 k = 0.3556 0.2053-0.0000 ( 2558 PWs) bands (ev): 1.8309 1.8309 3.9161 3.9161 7.0867 7.0867 8.1840 8.1840 8.9438 8.9438 9.1790 9.1790 9.6585 9.6585 10.0107 10.0107 10.0754 10.0754 10.6164 10.6164 10.6449 10.6449 10.8900 10.8900 11.6676 11.6676 11.7898 11.7898 11.8453 11.8453 12.0440 12.0440 12.4101 12.4101 12.5778 12.5778 12.6121 12.6121 12.8305 12.8305 13.0157 13.0157 13.2261 13.2261 13.2425 13.2425 13.5040 13.5040 k = 0.3667 0.2117-0.0000 ( 2562 PWs) bands (ev): 1.9053 1.9053 3.8735 3.8735 7.0163 7.0163 8.2416 8.2416 8.9778 8.9778 9.2198 9.2198 9.6214 9.6214 10.0032 10.0032 10.0551 10.0551 10.6272 10.6272 10.6696 10.6696 10.9097 10.9097 11.6433 11.6433 11.7746 11.7746 11.8215 11.8215 12.0177 12.0177 12.3864 12.3864 12.5821 12.5821 12.6096 12.6096 12.8023 12.8023 12.9835 12.9835 13.1687 13.1687 13.2215 13.2215 13.5043 13.5043 k = 0.3778 0.2181-0.0000 ( 2558 PWs) bands (ev): 1.9800 1.9800 3.8284 3.8284 6.9505 6.9505 8.2997 8.2997 9.0141 9.0141 9.2607 9.2607 9.5830 9.5830 9.9934 9.9934 10.0310 10.0310 10.6380 10.6380 10.6941 10.6941 10.9287 10.9287 11.6192 11.6192 11.7616 11.7616 11.7989 11.7989 11.9933 11.9933 12.3628 12.3628 12.5829 12.5829 12.6128 12.6128 12.7742 12.7742 12.9557 12.9557 13.1058 13.1058 13.2092 13.2092 13.5048 13.5048 k = 0.3889 0.2245-0.0000 ( 2564 PWs) bands (ev): 2.0548 2.0548 3.7810 3.7810 6.8895 6.8895 8.3580 8.3580 9.0528 9.0528 9.3014 9.3014 9.5431 9.5431 9.9812 9.9812 10.0029 10.0029 10.6487 10.6487 10.7182 10.7182 10.9466 10.9466 11.5955 11.5955 11.7496 11.7496 11.7787 11.7787 11.9711 11.9711 12.3397 12.3397 12.5800 12.5800 12.6212 12.6212 12.7462 12.7462 12.9316 12.9316 13.0469 13.0469 13.1967 13.1967 13.5053 13.5053 k = 0.4000 0.2309-0.0000 ( 2566 PWs) bands (ev): 2.1291 2.1291 3.7317 3.7317 6.8336 6.8336 8.4164 8.4164 9.0937 9.0937 9.3418 9.3418 9.5022 9.5022 9.9647 9.9647 9.9731 9.9731 10.6593 10.6593 10.7417 10.7417 10.9635 10.9635 11.5724 11.5724 11.7365 11.7365 11.7633 11.7633 11.9513 11.9513 12.3177 12.3177 12.5758 12.5758 12.6323 12.6323 12.7186 12.7186 12.9109 12.9109 12.9926 12.9926 13.1837 13.1837 13.5059 13.5060 k = 0.4111 0.2374-0.0000 ( 2566 PWs) bands (ev): 2.2024 2.2024 3.6809 3.6809 6.7831 6.7831 8.4743 8.4743 9.1367 9.1367 9.3811 9.3811 9.4609 9.4609 9.9325 9.9325 9.9529 9.9529 10.6694 10.6694 10.7642 10.7642 10.9792 10.9792 11.5501 11.5501 11.7206 11.7206 11.7548 11.7548 11.9339 11.9339 12.2970 12.2970 12.5712 12.5712 12.6442 12.6442 12.6924 12.6924 12.8928 12.8928 12.9439 12.9439 13.1702 13.1702 13.5066 13.5066 k = 0.4222 0.2438-0.0000 ( 2570 PWs) bands (ev): 2.2739 2.2739 3.6293 3.6293 6.7382 6.7382 8.5316 8.5316 9.1814 9.1814 9.4063 9.4063 9.4323 9.4323 9.8930 9.8930 9.9344 9.9344 10.6789 10.6789 10.7856 10.7856 10.9935 10.9935 11.5290 11.5290 11.7036 11.7036 11.7511 11.7511 11.9192 11.9192 12.2780 12.2780 12.5669 12.5669 12.6506 12.6506 12.6730 12.6730 12.8746 12.8746 12.9033 12.9033 13.1564 13.1564 13.5073 13.5073 k = 0.4333 0.2502-0.0000 ( 2574 PWs) bands (ev): 2.3427 2.3427 3.5778 3.5778 6.6991 6.6991 8.5877 8.5877 9.2272 9.2272 9.3714 9.3714 9.4630 9.4630 9.8501 9.8501 9.9146 9.9146 10.6876 10.6876 10.8055 10.8055 11.0063 11.0063 11.5094 11.5094 11.6875 11.6875 11.7504 11.7504 11.9071 11.9071 12.2609 12.2609 12.5629 12.5629 12.6348 12.6348 12.6774 12.6774 12.8485 12.8485 12.8786 12.8786 13.1426 13.1426 13.5079 13.5079 k = 0.4444 0.2566-0.0000 ( 2578 PWs) bands (ev): 2.4074 2.4074 3.5277 3.5277 6.6658 6.6658 8.6418 8.6418 9.2713 9.2713 9.3329 9.3329 9.4992 9.4992 9.8044 9.8044 9.8935 9.8935 10.6952 10.6952 10.8234 10.8234 11.0174 11.0174 11.4917 11.4917 11.6731 11.6731 11.7512 11.7512 11.8976 11.8976 12.2461 12.2461 12.5595 12.5595 12.6133 12.6133 12.6886 12.6886 12.8184 12.8184 12.8664 12.8664 13.1290 13.1290 13.5084 13.5084 k = 0.4556 0.2630-0.0000 ( 2578 PWs) bands (ev): 2.4664 2.4664 3.4807 3.4807 6.6384 6.6384 8.6929 8.6929 9.2762 9.2762 9.3356 9.3356 9.5338 9.5338 9.7567 9.7567 9.8718 9.8718 10.7017 10.7017 10.8389 10.8389 11.0267 11.0267 11.4764 11.4764 11.6609 11.6609 11.7529 11.7529 11.8906 11.8906 12.2335 12.2335 12.5566 12.5566 12.5937 12.5937 12.6990 12.6990 12.7926 12.7926 12.8585 12.8585 13.1165 13.1165 13.5089 13.5089 k = 0.4667 0.2694-0.0000 ( 2572 PWs) bands (ev): 2.5173 2.5173 3.4391 3.4391 6.6171 6.6171 8.7391 8.7391 9.2416 9.2416 9.3816 9.3816 9.5650 9.5650 9.7077 9.7077 9.8505 9.8505 10.7070 10.7070 10.8519 10.8519 11.0341 11.0341 11.4638 11.4638 11.6513 11.6513 11.7548 11.7548 11.8859 11.8859 12.2235 12.2235 12.5543 12.5543 12.5774 12.5774 12.7065 12.7065 12.7736 12.7736 12.8532 12.8532 13.1058 13.1058 13.5092 13.5092 k = 0.4778 0.2758-0.0000 ( 2568 PWs) bands (ev): 2.5573 2.5573 3.4058 3.4058 6.6018 6.6018 8.7776 8.7776 9.2091 9.2091 9.4309 9.4309 9.5902 9.5902 9.6593 9.6593 9.8313 9.8313 10.7108 10.7108 10.8614 10.8614 11.0395 11.0395 11.4545 11.4545 11.6442 11.6442 11.7563 11.7563 11.8831 11.8831 12.2162 12.2162 12.5527 12.5527 12.5652 12.5652 12.7099 12.7099 12.7624 12.7624 12.8497 12.8497 13.0973 13.0973 13.5095 13.5095 k = 0.4889 0.2823-0.0000 ( 2560 PWs) bands (ev): 2.5831 2.5831 3.3840 3.3840 6.5927 6.5927 8.8041 8.8041 9.1859 9.1859 9.4782 9.4782 9.5964 9.5964 9.6245 9.6245 9.8172 9.8172 10.7132 10.7132 10.8673 10.8673 11.0429 11.0429 11.4487 11.4487 11.6399 11.6399 11.7575 11.7575 11.8818 11.8818 12.2118 12.2118 12.5518 12.5518 12.5576 12.5576 12.7100 12.7100 12.7578 12.7578 12.8477 12.8477 13.0919 13.0919 13.5097 13.5097 k = 0.5000 0.2887-0.0000 ( 2554 PWs) bands (ev): 2.5920 2.5920 3.3764 3.3764 6.5896 6.5896 8.8138 8.8138 9.1774 9.1774 9.5059 9.5059 9.5764 9.5764 9.6237 9.6237 9.8118 9.8118 10.7140 10.7140 10.8693 10.8693 11.0440 11.0440 11.4467 11.4467 11.6385 11.6385 11.7578 11.7578 11.8813 11.8813 12.2104 12.2104 12.5516 12.5516 12.5550 12.5550 12.7097 12.7097 12.7569 12.7569 12.8471 12.8471 13.0900 13.0900 13.5099 13.5099 k = 0.5000 0.2887-0.0000 ( 2554 PWs) bands (ev): 2.5920 2.5920 3.3764 3.3764 6.5896 6.5896 8.8138 8.8138 9.1774 9.1774 9.5059 9.5059 9.5764 9.5764 9.6237 9.6237 9.8118 9.8118 10.7140 10.7140 10.8693 10.8693 11.0440 11.0440 11.4467 11.4467 11.6385 11.6385 11.7578 11.7578 11.8813 11.8813 12.2104 12.2104 12.5516 12.5516 12.5550 12.5550 12.7097 12.7097 12.7569 12.7569 12.8471 12.8471 13.0900 13.0900 13.5099 13.5099 k = 0.4936 0.2998-0.0000 ( 2558 PWs) bands (ev): 2.5930 2.5930 3.3767 3.3767 6.5902 6.5902 8.8151 8.8151 9.1776 9.1776 9.4864 9.4864 9.5202 9.5202 9.6834 9.6834 9.8259 9.8259 10.7148 10.7148 10.8661 10.8661 11.0445 11.0445 11.4473 11.4473 11.6396 11.6396 11.7577 11.7577 11.8800 11.8800 12.2105 12.2105 12.5506 12.5506 12.5551 12.5551 12.7096 12.7096 12.7566 12.7566 12.8465 12.8465 13.0878 13.0878 13.5132 13.5132 k = 0.4872 0.3109-0.0000 ( 2562 PWs) bands (ev): 2.5959 2.5959 3.3775 3.3775 6.5919 6.5919 8.8188 8.8188 9.1779 9.1779 9.4198 9.4198 9.4684 9.4684 9.7597 9.7597 9.8627 9.8627 10.7171 10.7171 10.8565 10.8565 11.0458 11.0458 11.4490 11.4490 11.6428 11.6428 11.7571 11.7571 11.8763 11.8763 12.2111 12.2111 12.5482 12.5482 12.5551 12.5551 12.7096 12.7096 12.7561 12.7561 12.8446 12.8446 13.0812 13.0812 13.5233 13.5233 k = 0.4808 0.3220-0.0000 ( 2566 PWs) bands (ev): 2.6008 2.6008 3.3789 3.3789 6.5948 6.5948 8.8251 8.8251 9.1781 9.1781 9.3361 9.3361 9.4193 9.4193 9.8343 9.8343 9.9124 9.9124 10.7211 10.7211 10.8408 10.8408 11.0480 11.0480 11.4517 11.4517 11.6478 11.6478 11.7561 11.7561 11.8702 11.8702 12.2120 12.2120 12.5448 12.5448 12.5544 12.5544 12.7093 12.7093 12.7553 12.7553 12.8414 12.8414 13.0710 13.0710 13.5394 13.5394 k = 0.4744 0.3331-0.0000 ( 2570 PWs) bands (ev): 2.6076 2.6076 3.3807 3.3807 6.5986 6.5986 8.8338 8.8338 9.1758 9.1758 9.2521 9.2521 9.3663 9.3663 9.9060 9.9060 9.9690 9.9690 10.7266 10.7266 10.8195 10.8195 11.0511 11.0511 11.4555 11.4555 11.6543 11.6543 11.7545 11.7545 11.8625 11.8625 12.2131 12.2131 12.5406 12.5406 12.5529 12.5529 12.7084 12.7084 12.7546 12.7546 12.8370 12.8370 13.0580 13.0580 13.5605 13.5605 k = 0.4679 0.3442-0.0000 ( 2566 PWs) bands (ev): 2.6163 2.6163 3.3830 3.3830 6.6034 6.6034 8.8451 8.8451 9.1434 9.1434 9.1970 9.1970 9.3116 9.3116 9.9742 9.9742 10.0292 10.0292 10.7336 10.7336 10.7932 10.7932 11.0550 11.0550 11.4603 11.4603 11.6620 11.6620 11.7521 11.7521 11.8537 11.8537 12.2145 12.2145 12.5356 12.5356 12.5508 12.5508 12.7065 12.7065 12.7544 12.7544 12.8314 12.8314 13.0431 13.0431 13.5859 13.5859 k = 0.4615 0.3553-0.0000 ( 2562 PWs) bands (ev): 2.6269 2.6269 3.3856 3.3856 6.6088 6.6088 8.8587 8.8587 9.0621 9.0621 9.1893 9.1893 9.2576 9.2576 10.0389 10.0389 10.0915 10.0915 10.7410 10.7410 10.7635 10.7635 11.0596 11.0596 11.4660 11.4660 11.6702 11.6702 11.7484 11.7484 11.8443 11.8443 12.2161 12.2161 12.5300 12.5300 12.5479 12.5479 12.7031 12.7031 12.7549 12.7549 12.8243 12.8243 13.0270 13.0270 13.6144 13.6144 k = 0.4551 0.3664-0.0000 ( 2562 PWs) bands (ev): 2.6395 2.6395 3.3884 3.3884 6.6149 6.6149 8.8746 8.8746 8.9750 8.9750 9.1760 9.1760 9.2161 9.2161 10.0999 10.0999 10.1548 10.1548 10.7243 10.7243 10.7551 10.7551 11.0650 11.0650 11.4726 11.4726 11.6784 11.6784 11.7432 11.7432 11.8353 11.8353 12.2177 12.2177 12.5236 12.5236 12.5441 12.5441 12.6980 12.6980 12.7562 12.7562 12.8162 12.8162 13.0104 13.0104 13.6391 13.6391 k = 0.4487 0.3775-0.0000 ( 2556 PWs) bands (ev): 2.6539 2.6539 3.3913 3.3913 6.6213 6.6213 8.8853 8.8853 8.8959 8.8959 9.1314 9.1314 9.2077 9.2077 10.1572 10.1572 10.2184 10.2184 10.6860 10.6860 10.7662 10.7662 11.0710 11.0710 11.4800 11.4800 11.6856 11.6856 11.7364 11.7364 11.8277 11.8277 12.2194 12.2194 12.5165 12.5165 12.5395 12.5395 12.6910 12.6910 12.7580 12.7580 12.8074 12.8074 12.9938 12.9938 13.6426 13.6426 k = 0.4423 0.3886-0.0000 ( 2560 PWs) bands (ev): 2.6701 2.6701 3.3941 3.3941 6.6277 6.6277 8.8025 8.8025 8.9141 8.9141 9.0776 9.0776 9.2100 9.2100 10.2104 10.2104 10.2820 10.2820 10.6436 10.6436 10.7796 10.7796 11.0774 11.0774 11.4881 11.4881 11.6902 11.6902 11.7292 11.7292 11.8221 11.8221 12.2210 12.2210 12.5087 12.5087 12.5341 12.5341 12.6821 12.6821 12.7596 12.7596 12.7984 12.7984 12.9775 12.9775 13.6419 13.6419 k = 0.4359 0.3997-0.0000 ( 2560 PWs) bands (ev): 2.6882 2.6882 3.3966 3.3966 6.6338 6.6338 8.7202 8.7202 8.9368 8.9368 9.0230 9.0230 9.2147 9.2147 10.2597 10.2597 10.3451 10.3451 10.5983 10.5983 10.7946 10.7946 11.0843 11.0843 11.4969 11.4969 11.6889 11.6889 11.7249 11.7249 11.8186 11.8186 12.2225 12.2225 12.5001 12.5001 12.5280 12.5280 12.6715 12.6715 12.7589 12.7589 12.7910 12.7910 12.9618 12.9618 13.6407 13.6407 k = 0.4295 0.4108-0.0000 ( 2558 PWs) bands (ev): 2.7080 2.7080 3.3987 3.3987 6.6394 6.6394 8.6415 8.6415 8.9577 8.9577 8.9730 8.9730 9.2206 9.2206 10.3049 10.3049 10.4071 10.4071 10.5508 10.5508 10.8112 10.8112 11.0912 11.0912 11.5064 11.5064 11.6798 11.6798 11.7258 11.7258 11.8173 11.8173 12.2238 12.2238 12.4908 12.4908 12.5212 12.5212 12.6595 12.6595 12.7531 12.7531 12.7881 12.7881 12.9471 12.9471 13.6393 13.6393 k = 0.4231 0.4219-0.0000 ( 2562 PWs) bands (ev): 2.7296 2.7296 3.4002 3.4002 6.6439 6.6439 8.5673 8.5673 8.9138 8.9138 8.9908 8.9908 9.2273 9.2273 10.3464 10.3464 10.4636 10.4636 10.5054 10.5054 10.8292 10.8292 11.0981 11.0981 11.5163 11.5163 11.6659 11.6659 11.7294 11.7294 11.8178 11.8178 12.2247 12.2247 12.4804 12.4804 12.5136 12.5136 12.6463 12.6463 12.7419 12.7419 12.7897 12.7897 12.9335 12.9335 13.6378 13.6378 k = 0.4167 0.4330-0.0000 ( 2562 PWs) bands (ev): 2.7529 2.7529 3.4007 3.4007 6.6472 6.6472 8.4986 8.4986 8.8615 8.8615 9.0199 9.0199 9.2348 9.2348 10.3840 10.3840 10.4433 10.4433 10.5332 10.5332 10.8487 10.8487 11.1047 11.1047 11.5266 11.5266 11.6501 11.6501 11.7335 11.7335 11.8201 11.8201 12.2253 12.2253 12.4688 12.4688 12.5056 12.5056 12.6322 12.6322 12.7277 12.7277 12.7934 12.7934 12.9211 12.9211 13.6363 13.6363 k = 0.4103 0.4441-0.0000 ( 2566 PWs) bands (ev): 2.7779 2.7779 3.4000 3.4000 6.6488 6.6488 8.4361 8.4361 8.8102 8.8102 9.0511 9.0511 9.2430 9.2430 10.3903 10.3903 10.4182 10.4182 10.5898 10.5898 10.8694 10.8694 11.1107 11.1107 11.5370 11.5370 11.6339 11.6339 11.7371 11.7371 11.8241 11.8241 12.2255 12.2255 12.4556 12.4556 12.4972 12.4972 12.6175 12.6175 12.7118 12.7118 12.7980 12.7980 12.9102 12.9102 13.6346 13.6346 k = 0.4038 0.4552-0.0000 ( 2570 PWs) bands (ev): 2.8045 2.8045 3.3978 3.3978 6.6484 6.6484 8.3808 8.3808 8.7600 8.7600 9.0842 9.0842 9.2519 9.2519 10.3350 10.3350 10.4486 10.4486 10.6452 10.6452 10.8912 10.8912 11.1159 11.1159 11.5477 11.5477 11.6181 11.6181 11.7398 11.7398 11.8298 11.8298 12.2250 12.2250 12.4401 12.4401 12.4886 12.4886 12.6031 12.6031 12.6949 12.6949 12.8027 12.8027 12.9007 12.9007 13.6331 13.6331 k = 0.3974 0.4663-0.0000 ( 2564 PWs) bands (ev): 2.8327 2.8327 3.3938 3.3938 6.6459 6.6459 8.3332 8.3332 8.7112 8.7112 9.1189 9.1189 9.2615 9.2615 10.2783 10.2783 10.4758 10.4758 10.6983 10.6983 10.9138 10.9138 11.1198 11.1198 11.5584 11.5584 11.6036 11.6036 11.7417 11.7417 11.8376 11.8376 12.2240 12.2240 12.4220 12.4220 12.4802 12.4802 12.5892 12.5892 12.6774 12.6774 12.8071 12.8071 12.8929 12.8929 13.6315 13.6315 k = 0.3910 0.4774-0.0000 ( 2568 PWs) bands (ev): 2.8623 2.8623 3.3877 3.3877 6.6412 6.6412 8.2939 8.2939 8.6638 8.6638 9.1549 9.1549 9.2717 9.2717 10.2207 10.2207 10.4998 10.4998 10.7484 10.7484 10.9369 10.9369 11.1222 11.1222 11.5686 11.5686 11.5910 11.5910 11.7425 11.7425 11.8476 11.8476 12.2222 12.2222 12.4008 12.4008 12.4719 12.4719 12.5763 12.5763 12.6596 12.6596 12.8106 12.8106 12.8867 12.8867 13.6300 13.6300 k = 0.3846 0.4885-0.0000 ( 2564 PWs) bands (ev): 2.8935 2.8935 3.3792 3.3792 6.6344 6.6344 8.2633 8.2633 8.6179 8.6179 9.1921 9.1921 9.2826 9.2826 10.1627 10.1627 10.5208 10.5208 10.7955 10.7955 10.9599 10.9599 11.1226 11.1226 11.5745 11.5745 11.5845 11.5845 11.7424 11.7424 11.8599 11.8599 12.2196 12.2196 12.3762 12.3762 12.4641 12.4641 12.5652 12.5652 12.6421 12.6421 12.8134 12.8134 12.8822 12.8822 13.6287 13.6287 k = 0.3782 0.4996-0.0000 ( 2560 PWs) bands (ev): 2.9260 2.9260 3.3678 3.3678 6.6259 6.6259 8.2415 8.2415 8.5735 8.5735 9.2298 9.2298 9.2941 9.2941 10.1047 10.1047 10.5389 10.5389 10.8393 10.8393 10.9823 10.9823 11.1213 11.1213 11.5683 11.5683 11.5917 11.5917 11.7415 11.7415 11.8751 11.8751 12.2161 12.2161 12.3482 12.3482 12.4570 12.4570 12.5560 12.5560 12.6249 12.6249 12.8153 12.8153 12.8793 12.8793 13.6274 13.6274 k = 0.3718 0.5107-0.0000 ( 2560 PWs) bands (ev): 2.9599 2.9599 3.3534 3.3534 6.6161 6.6161 8.2284 8.2284 8.5307 8.5307 9.2675 9.2675 9.3063 9.3063 10.0472 10.0472 10.5543 10.5543 10.8797 10.8797 11.0028 11.0028 11.1180 11.1180 11.5616 11.5616 11.6010 11.6010 11.7396 11.7396 11.8930 11.8930 12.2116 12.2116 12.3176 12.3176 12.4506 12.4506 12.5487 12.5487 12.6087 12.6087 12.8163 12.8163 12.8776 12.8776 13.6262 13.6262 k = 0.3654 0.5218-0.0000 ( 2546 PWs) bands (ev): 2.9950 2.9950 3.3355 3.3355 6.6056 6.6056 8.2238 8.2238 8.4898 8.4898 9.3042 9.3042 9.3192 9.3192 9.9916 9.9916 10.5671 10.5671 10.9171 10.9171 11.0209 11.0209 11.1127 11.1127 11.5566 11.5566 11.6099 11.6099 11.7373 11.7373 11.9138 11.9138 12.2061 12.2061 12.2850 12.2850 12.4451 12.4451 12.5434 12.5434 12.5938 12.5938 12.8169 12.8169 12.8770 12.8770 13.6253 13.6253 k = 0.3590 0.5329-0.0000 ( 2552 PWs) bands (ev): 3.0313 3.0313 3.3139 3.3139 6.5953 6.5953 8.2269 8.2269 8.4505 8.4505 9.3323 9.3323 9.3389 9.3389 9.9387 9.9387 10.5774 10.5774 10.9511 10.9511 11.0356 11.0356 11.1057 11.1057 11.5532 11.5532 11.6178 11.6178 11.7344 11.7344 11.9370 11.9370 12.1996 12.1996 12.2517 12.2517 12.4403 12.4403 12.5399 12.5399 12.5802 12.5802 12.8170 12.8170 12.8769 12.8769 13.6244 13.6244 k = 0.3526 0.5440-0.0000 ( 2556 PWs) bands (ev): 3.0686 3.0686 3.2884 3.2884 6.5859 6.5859 8.2373 8.2373 8.4131 8.4131 9.3464 9.3464 9.3685 9.3685 9.8912 9.8912 10.5852 10.5852 10.9819 10.9819 11.0464 11.0464 11.0971 11.0971 11.5512 11.5512 11.6245 11.6245 11.7316 11.7316 11.9619 11.9619 12.1918 12.1918 12.2199 12.2199 12.4366 12.4366 12.5379 12.5379 12.5686 12.5686 12.8170 12.8170 12.8769 12.8769 13.6238 13.6238 k = 0.3462 0.5551-0.0000 ( 2556 PWs) bands (ev): 3.1070 3.1070 3.2587 3.2587 6.5782 6.5782 8.2540 8.2540 8.3781 8.3781 9.3611 9.3611 9.3902 9.3902 9.8523 9.8523 10.5907 10.5907 11.0087 11.0087 11.0532 11.0532 11.0874 11.0874 11.5503 11.5503 11.6297 11.6297 11.7291 11.7291 11.9860 11.9860 12.1813 12.1813 12.1945 12.1945 12.4339 12.4339 12.5375 12.5375 12.5592 12.5592 12.8171 12.8171 12.8770 12.8770 13.6233 13.6233 k = 0.3397 0.5662-0.0000 ( 2552 PWs) bands (ev): 3.1463 3.1463 3.2248 3.2248 6.5731 6.5731 8.2752 8.2752 8.3464 8.3464 9.3762 9.3762 9.3995 9.3995 9.8264 9.8264 10.5940 10.5940 11.0297 11.0297 11.0575 11.0575 11.0769 11.0769 11.5501 11.5501 11.6330 11.6330 11.7275 11.7275 12.0049 12.0049 12.1676 12.1676 12.1813 12.1813 12.4323 12.4323 12.5381 12.5381 12.5526 12.5526 12.8173 12.8173 12.8771 12.8771 13.6231 13.6231 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): 3.1844 3.1844 3.1884 3.1884 6.5713 6.5713 8.2906 8.2906 8.3277 8.3277 9.3905 9.3905 9.3937 9.3937 9.8174 9.8174 10.5950 10.5950 11.0380 11.0380 11.0635 11.0635 11.0674 11.0674 11.5500 11.5500 11.6341 11.6341 11.7268 11.7268 12.0121 12.0121 12.1632 12.1632 12.1755 12.1755 12.4318 12.4318 12.5385 12.5385 12.5500 12.5500 12.8174 12.8174 12.8771 12.8771 13.6230 13.6230 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): 3.1844 3.1844 3.1884 3.1884 6.5713 6.5713 8.2906 8.2906 8.3277 8.3277 9.3905 9.3905 9.3937 9.3937 9.8174 9.8174 10.5950 10.5950 11.0380 11.0380 11.0635 11.0635 11.0674 11.0674 11.5500 11.5500 11.6341 11.6341 11.7268 11.7268 12.0121 12.0121 12.1632 12.1632 12.1755 12.1755 12.4318 12.4318 12.5385 12.5385 12.5500 12.5500 12.8174 12.8174 12.8771 12.8771 13.6230 13.6230 k = 0.3269 0.5662-0.0000 ( 2556 PWs) bands (ev): 3.1438 3.1438 3.2273 3.2273 6.5733 6.5733 8.2740 8.2740 8.3474 8.3474 9.3676 9.3676 9.4085 9.4085 9.8259 9.8259 10.5940 10.5940 11.0322 11.0322 11.0539 11.0539 11.0778 11.0778 11.5500 11.5500 11.6330 11.6330 11.7274 11.7274 12.0063 12.0063 12.1600 12.1600 12.1879 12.1879 12.4323 12.4323 12.5383 12.5383 12.5524 12.5524 12.8171 12.8171 12.8771 12.8771 13.6230 13.6230 k = 0.3205 0.5551-0.0000 ( 2556 PWs) bands (ev): 3.0969 3.0969 3.2687 3.2687 6.5796 6.5796 8.2484 8.2484 8.3819 8.3819 9.3290 9.3290 9.4253 9.4253 9.8489 9.8489 10.5910 10.5910 11.0186 11.0186 11.0425 11.0425 11.0872 11.0872 11.5496 11.5496 11.6300 11.6300 11.7292 11.7292 11.9941 11.9941 12.1534 12.1534 12.2172 12.2172 12.4339 12.4339 12.5388 12.5388 12.5583 12.5583 12.8164 12.8164 12.8777 12.8777 13.6232 13.6232 k = 0.3141 0.5440-0.0000 ( 2556 PWs) bands (ev): 3.0458 3.0458 3.3106 3.3106 6.5907 6.5907 8.2233 8.2233 8.4210 8.4210 9.2802 9.2802 9.4427 9.4427 9.8820 9.8820 10.5861 10.5861 10.9990 10.9990 11.0313 11.0313 11.0917 11.0917 11.5489 11.5489 11.6255 11.6255 11.7319 11.7319 11.9827 11.9827 12.1472 12.1472 12.2536 12.2536 12.4364 12.4364 12.5412 12.5412 12.5667 12.5667 12.8147 12.8147 12.8792 12.8792 13.6235 13.6235 k = 0.3077 0.5329-0.0000 ( 2560 PWs) bands (ev): 2.9909 2.9909 3.3529 3.3529 6.6066 6.6066 8.2000 8.2000 8.4628 8.4628 9.2248 9.2248 9.4605 9.4605 9.9216 9.9216 10.5797 10.5797 10.9739 10.9739 11.0204 11.0204 11.0903 11.0903 11.5477 11.5477 11.6201 11.6201 11.7352 11.7352 11.9758 11.9758 12.1420 12.1420 12.2930 12.2930 12.4397 12.4397 12.5458 12.5458 12.5776 12.5776 12.8116 12.8116 12.8819 12.8819 13.6239 13.6239 k = 0.3013 0.5218-0.0000 ( 2560 PWs) bands (ev): 2.9322 2.9322 3.3954 3.3954 6.6275 6.6275 8.1787 8.1787 8.5064 8.5064 9.1651 9.1651 9.4788 9.4788 9.9651 9.9651 10.5717 10.5717 10.9437 10.9437 11.0098 11.0098 11.0830 11.0830 11.5461 11.5461 11.6142 11.6142 11.7390 11.7390 11.9755 11.9755 12.1382 12.1382 12.3330 12.3330 12.4440 12.4440 12.5529 12.5529 12.5911 12.5911 12.8071 12.8071 12.8861 12.8861 13.6242 13.6242 k = 0.2949 0.5107-0.0000 ( 2564 PWs) bands (ev): 2.8702 2.8702 3.4381 3.4381 6.6535 6.6535 8.1595 8.1595 8.5511 8.5511 9.1027 9.1027 9.4975 9.4975 10.0107 10.0107 10.5626 10.5626 10.9084 10.9084 10.9997 10.9997 11.0704 11.0704 11.5443 11.5443 11.6083 11.6083 11.7429 11.7429 11.9824 11.9824 12.1359 12.1359 12.3722 12.3722 12.4490 12.4490 12.5625 12.5625 12.6078 12.6078 12.8011 12.8011 12.8921 12.8921 13.6244 13.6244 k = 0.2885 0.4996-0.0000 ( 2568 PWs) bands (ev): 2.8050 2.8050 3.4808 3.4808 6.6845 6.6845 8.1427 8.1427 8.5960 8.5960 9.0386 9.0386 9.5167 9.5167 10.0573 10.0573 10.5524 10.5524 10.8683 10.8683 10.9898 10.9898 11.0530 11.0530 11.5425 11.5425 11.6029 11.6029 11.7471 11.7471 11.9964 11.9964 12.1352 12.1352 12.4094 12.4094 12.4547 12.4547 12.5747 12.5747 12.6278 12.6278 12.7937 12.7937 12.8996 12.8996 13.6245 13.6245 k = 0.2821 0.4885-0.0000 ( 2568 PWs) bands (ev): 2.7372 2.7372 3.5234 3.5234 6.7204 6.7204 8.1282 8.1282 8.6406 8.6406 8.9735 8.9735 9.5362 9.5362 10.1038 10.1038 10.5416 10.5416 10.8240 10.8240 10.9804 10.9804 11.0319 11.0319 11.5409 11.5409 11.5983 11.5983 11.7513 11.7513 12.0170 12.0170 12.1362 12.1362 12.4437 12.4437 12.4611 12.4611 12.5894 12.5894 12.6518 12.6518 12.7854 12.7854 12.9086 12.9086 13.6243 13.6243 k = 0.2756 0.4774-0.0000 ( 2562 PWs) bands (ev): 2.6670 2.6670 3.5657 3.5657 6.7610 6.7610 8.1160 8.1160 8.6839 8.6839 8.9079 8.9079 9.5560 9.5560 10.1494 10.1494 10.5304 10.5304 10.7759 10.7759 10.9713 10.9713 11.0079 11.0079 11.5399 11.5399 11.5951 11.5951 11.7557 11.7557 12.0431 12.0431 12.1390 12.1390 12.4668 12.4668 12.4763 12.4763 12.6068 12.6068 12.6797 12.6797 12.7765 12.7765 12.9190 12.9190 13.6238 13.6238 k = 0.2692 0.4663-0.0000 ( 2562 PWs) bands (ev): 2.5948 2.5948 3.6076 3.6076 6.8061 6.8061 8.1062 8.1062 8.7250 8.7250 8.8426 8.8426 9.5762 9.5762 10.1935 10.1935 10.5191 10.5191 10.7248 10.7248 10.9623 10.9623 10.9816 10.9816 11.5397 11.5397 11.5934 11.5934 11.7602 11.7602 12.0736 12.0736 12.1435 12.1435 12.4744 12.4744 12.5043 12.5043 12.6269 12.6269 12.7102 12.7102 12.7677 12.7677 12.9307 12.9307 13.6228 13.6228 k = 0.2628 0.4552-0.0000 ( 2560 PWs) bands (ev): 2.5209 2.5209 3.6491 3.6491 6.8556 6.8556 8.0989 8.0989 8.7544 8.7544 8.7866 8.7866 9.5966 9.5966 10.2354 10.2354 10.5080 10.5080 10.6714 10.6714 10.9520 10.9520 10.9552 10.9552 11.5408 11.5408 11.5938 11.5938 11.7649 11.7649 12.1068 12.1068 12.1502 12.1502 12.4820 12.4820 12.5305 12.5305 12.6497 12.6497 12.7380 12.7380 12.7645 12.7645 12.9436 12.9436 13.6213 13.6213 k = 0.2564 0.4441-0.0000 ( 2556 PWs) bands (ev): 2.4457 2.4457 3.6899 3.6899 6.9091 6.9091 8.0940 8.0940 8.7053 8.7053 8.8064 8.8064 9.6172 9.6172 10.2745 10.2745 10.4975 10.4975 10.6164 10.6164 10.9244 10.9244 10.9446 10.9446 11.5437 11.5437 11.5967 11.5967 11.7699 11.7699 12.1381 12.1381 12.1628 12.1628 12.4898 12.4898 12.5557 12.5557 12.6748 12.6748 12.7405 12.7405 12.7892 12.7892 12.9575 12.9575 13.6192 13.6192 k = 0.2500 0.4330-0.0000 ( 2552 PWs) bands (ev): 2.3695 2.3695 3.7299 3.7299 6.9664 6.9664 8.0915 8.0915 8.6406 8.6406 8.8387 8.8387 9.6380 9.6380 10.3104 10.3104 10.4876 10.4876 10.5606 10.5606 10.8945 10.8945 10.9353 10.9353 11.5487 11.5487 11.6022 11.6022 11.7752 11.7752 12.1561 12.1561 12.1912 12.1912 12.4977 12.4977 12.5805 12.5805 12.6998 12.6998 12.7354 12.7354 12.8261 12.8261 12.9726 12.9726 13.6163 13.6163 k = 0.2436 0.4219-0.0000 ( 2554 PWs) bands (ev): 2.2926 2.2926 3.7690 3.7690 7.0272 7.0272 8.0913 8.0913 8.5755 8.5755 8.8679 8.8679 9.6589 9.6589 10.3424 10.3424 10.4785 10.4785 10.5047 10.5047 10.8639 10.8639 10.9256 10.9256 11.5561 11.5561 11.6106 11.6106 11.7810 11.7810 12.1673 12.1673 12.2280 12.2280 12.5059 12.5059 12.6061 12.6061 12.7097 12.7097 12.7473 12.7473 12.8655 12.8655 12.9885 12.9885 13.6128 13.6128 k = 0.2372 0.4108-0.0000 ( 2540 PWs) bands (ev): 2.2154 2.2154 3.8072 3.8072 7.0913 7.0913 8.0936 8.0936 8.5108 8.5108 8.8932 8.8932 9.6800 9.6800 10.3698 10.3698 10.4492 10.4492 10.4713 10.4713 10.8328 10.8328 10.9156 10.9156 11.5664 11.5664 11.6222 11.6222 11.7874 11.7874 12.1782 12.1782 12.2658 12.2658 12.5141 12.5141 12.6332 12.6332 12.7033 12.7033 12.7789 12.7789 12.9064 12.9064 13.0053 13.0053 13.6085 13.6085 k = 0.2308 0.3997-0.0000 ( 2536 PWs) bands (ev): 2.1380 2.1380 3.8442 3.8442 7.1584 7.1584 8.0980 8.0980 8.4468 8.4468 8.9140 8.9140 9.7010 9.7010 10.3818 10.3818 10.4062 10.4062 10.4645 10.4645 10.8015 10.8015 10.9049 10.9049 11.5797 11.5797 11.6368 11.6368 11.7942 11.7942 12.1895 12.1895 12.3023 12.3023 12.5224 12.5224 12.6623 12.6623 12.6942 12.6942 12.8169 12.8169 12.9485 12.9485 13.0231 13.0231 13.6036 13.6036 k = 0.2244 0.3886-0.0000 ( 2544 PWs) bands (ev): 2.0607 2.0607 3.8799 3.8799 7.2283 7.2283 8.1046 8.1046 8.3835 8.3835 8.9301 8.9301 9.7220 9.7220 10.3364 10.3364 10.4170 10.4170 10.4589 10.4589 10.7699 10.7699 10.8933 10.8933 11.5960 11.5960 11.6544 11.6544 11.8015 11.8015 12.2016 12.2016 12.3363 12.3363 12.5306 12.5306 12.6845 12.6845 12.6942 12.6942 12.8588 12.8588 12.9920 12.9920 13.0416 13.0416 13.5979 13.5979 k = 0.2179 0.3775-0.0000 ( 2544 PWs) bands (ev): 1.9838 1.9838 3.9144 3.9144 7.3007 7.3007 8.1131 8.1131 8.3214 8.3214 8.9415 8.9415 9.7430 9.7430 10.2850 10.2850 10.4312 10.4312 10.4547 10.4547 10.7384 10.7384 10.8809 10.8809 11.6155 11.6155 11.6747 11.6747 11.8097 11.8097 12.2145 12.2145 12.3676 12.3676 12.5388 12.5388 12.6761 12.6761 12.7277 12.7277 12.9045 12.9045 13.0372 13.0372 13.0612 13.0612 13.5918 13.5918 k = 0.2115 0.3664-0.0000 ( 2544 PWs) bands (ev): 1.9076 1.9076 3.9475 3.9475 7.3753 7.3753 8.1230 8.1230 8.2608 8.2608 8.9482 8.9482 9.7637 9.7637 10.2349 10.2349 10.4413 10.4413 10.4520 10.4520 10.7069 10.7069 10.8676 10.8676 11.6379 11.6379 11.6974 11.6974 11.8188 11.8188 12.2282 12.2282 12.3959 12.3959 12.5470 12.5470 12.6682 12.6682 12.7631 12.7631 12.9535 12.9535 13.0799 13.0799 13.0871 13.0871 13.5852 13.5852 k = 0.2051 0.3553-0.0000 ( 2544 PWs) bands (ev): 1.8321 1.8321 3.9791 3.9791 7.4518 7.4518 8.1324 8.1324 8.2036 8.2036 8.9505 8.9505 9.7844 9.7844 10.1871 10.1871 10.4452 10.4452 10.4525 10.4525 10.6756 10.6756 10.8535 10.8535 11.6632 11.6632 11.7217 11.7217 11.8289 11.8289 12.2427 12.2427 12.4210 12.4210 12.5551 12.5551 12.6614 12.6614 12.7994 12.7994 13.0051 13.0051 13.1040 13.1040 13.1368 13.1368 13.5784 13.5784 k = 0.1987 0.3442-0.0000 ( 2540 PWs) bands (ev): 1.7576 1.7576 4.0091 4.0091 7.5302 7.5302 8.1230 8.1230 8.1680 8.1680 8.9487 8.9487 9.8049 9.8049 10.1419 10.1419 10.4446 10.4446 10.4545 10.4545 10.6446 10.6446 10.8384 10.8384 11.6909 11.6909 11.7471 11.7471 11.8402 11.8402 12.2582 12.2582 12.4433 12.4433 12.5631 12.5631 12.6557 12.6557 12.8356 12.8356 13.0569 13.0569 13.1313 13.1313 13.1915 13.1915 13.5714 13.5714 k = 0.1923 0.3331-0.0000 ( 2540 PWs) bands (ev): 1.6843 1.6843 4.0376 4.0376 7.6099 7.6099 8.0743 8.0743 8.1743 8.1743 8.9429 8.9429 9.8251 9.8251 10.0996 10.0996 10.4433 10.4433 10.4545 10.4545 10.6141 10.6141 10.8225 10.8225 11.7207 11.7207 11.7725 11.7725 11.8532 11.8532 12.2744 12.2744 12.4631 12.4631 12.5710 12.5710 12.6513 12.6513 12.8706 12.8706 13.1024 13.1024 13.1698 13.1698 13.2507 13.2507 13.5646 13.5646 k = 0.1859 0.3220-0.0000 ( 2546 PWs) bands (ev): 1.6123 1.6123 4.0644 4.0644 7.6909 7.6909 8.0192 8.0192 8.1895 8.1895 8.9337 8.9337 9.8449 9.8449 10.0604 10.0604 10.4416 10.4416 10.4523 10.4523 10.5841 10.5841 10.8057 10.8057 11.7520 11.7520 11.7971 11.7971 11.8681 11.8681 12.2915 12.2915 12.4810 12.4810 12.5787 12.5787 12.6482 12.6482 12.9037 12.9037 13.1358 13.1358 13.2251 13.2251 13.3146 13.3146 13.5578 13.5578 k = 0.1795 0.3109-0.0000 ( 2546 PWs) bands (ev): 1.5417 1.5417 4.0897 4.0897 7.7727 7.7727 7.9643 7.9643 8.2068 8.2068 8.9215 8.9215 9.8644 9.8644 10.0248 10.0248 10.4386 10.4386 10.4491 10.4491 10.5548 10.5548 10.7881 10.7881 11.7845 11.7845 11.8198 11.8198 11.8854 11.8854 12.3095 12.3095 12.4972 12.4972 12.5863 12.5863 12.6466 12.6466 12.9344 12.9344 13.1617 13.1617 13.2928 13.2928 13.3829 13.3829 13.5518 13.5518 k = 0.1731 0.2998-0.0000 ( 2554 PWs) bands (ev): 1.4728 1.4728 4.1132 4.1132 7.8543 7.8543 7.9113 7.9113 8.2251 8.2251 8.9068 8.9068 9.8832 9.8832 9.9928 9.9928 10.4328 10.4328 10.4464 10.4464 10.5264 10.5264 10.7698 10.7698 11.8174 11.8174 11.8401 11.8401 11.9051 11.9051 12.3283 12.3283 12.5121 12.5121 12.5936 12.5936 12.6465 12.6465 12.9624 12.9624 13.1847 13.1847 13.3683 13.3683 13.4549 13.4549 13.5473 13.5473 k = 0.1667 0.2887-0.0000 ( 2558 PWs) bands (ev): 1.4055 1.4055 4.1352 4.1352 7.8562 7.8562 7.9397 7.9397 8.2439 8.2439 8.8900 8.8900 9.9013 9.9013 9.9650 9.9650 10.4242 10.4242 10.4446 10.4446 10.4990 10.4990 10.7507 10.7507 11.8503 11.8503 11.8585 11.8585 11.9265 11.9265 12.3480 12.3480 12.5261 12.5261 12.6008 12.6008 12.6478 12.6478 12.9878 12.9878 13.2066 13.2066 13.4496 13.4496 13.5190 13.5190 13.5558 13.5558 k = 0.1603 0.2776-0.0000 ( 2562 PWs) bands (ev): 1.3401 1.3401 4.1555 4.1555 7.8055 7.8055 8.0222 8.0222 8.2628 8.2628 8.8718 8.8718 9.9161 9.9161 9.9437 9.9437 10.4135 10.4135 10.4429 10.4429 10.4730 10.4730 10.7310 10.7310 11.8743 11.8743 11.8839 11.8839 11.9486 11.9486 12.3686 12.3686 12.5394 12.5394 12.6079 12.6079 12.6506 12.6506 13.0106 13.0106 13.2278 13.2278 13.5260 13.5260 13.5394 13.5395 13.6234 13.6234 k = 0.1538 0.2665-0.0000 ( 2568 PWs) bands (ev): 1.2766 1.2766 4.1742 4.1742 7.7559 7.7559 8.1047 8.1047 8.2814 8.2814 8.8526 8.8526 9.9130 9.9130 9.9438 9.9438 10.4014 10.4014 10.4384 10.4384 10.4511 10.4511 10.7108 10.7108 11.8901 11.8901 11.9157 11.9157 11.9704 11.9704 12.3899 12.3899 12.5521 12.5521 12.6147 12.6147 12.6546 12.6546 13.0310 13.0310 13.2486 13.2486 13.5256 13.5256 13.6291 13.6291 13.7080 13.7080 k = 0.1474 0.2554-0.0000 ( 2564 PWs) bands (ev): 1.2151 1.2151 4.1913 4.1913 7.7079 7.7079 8.1864 8.1864 8.2996 8.2996 8.8332 8.8332 9.8985 9.8985 9.9587 9.9587 10.3883 10.3883 10.4212 10.4212 10.4432 10.4432 10.6901 10.6901 11.9053 11.9053 11.9467 11.9467 11.9914 11.9914 12.4120 12.4120 12.5646 12.5646 12.6217 12.6217 12.6596 12.6596 13.0490 13.0490 13.2690 13.2690 13.5226 13.5226 13.7256 13.7256 13.7974 13.7974 k = 0.1410 0.2443-0.0000 ( 2560 PWs) bands (ev): 1.1557 1.1557 4.2070 4.2070 7.6615 7.6615 8.2661 8.2661 8.3173 8.3173 8.8144 8.8144 9.8860 9.8860 9.9749 9.9749 10.3745 10.3745 10.4002 10.4002 10.4403 10.4403 10.6692 10.6692 11.9201 11.9201 11.9764 11.9764 12.0110 12.0110 12.4347 12.4347 12.5770 12.5770 12.6285 12.6285 12.6655 12.6655 13.0650 13.0650 13.2891 13.2891 13.5200 13.5200 13.8266 13.8266 13.8904 13.8904 k = 0.1346 0.2332-0.0000 ( 2557 PWs) bands (ev): 1.0985 1.0985 4.2213 4.2213 7.6167 7.6167 8.3285 8.3285 8.3487 8.3487 8.7973 8.7973 9.8767 9.8767 9.9909 9.9909 10.3602 10.3602 10.3806 10.3806 10.4374 10.4374 10.6482 10.6482 11.9348 11.9348 12.0044 12.0044 12.0290 12.0290 12.4579 12.4579 12.5893 12.5893 12.6352 12.6352 12.6720 12.6720 13.0790 13.0790 13.3089 13.3089 13.5180 13.5180 13.9316 13.9316 13.9860 13.9860 k = 0.1282 0.2221-0.0000 ( 2561 PWs) bands (ev): 1.0435 1.0435 4.2341 4.2341 7.5738 7.5738 8.3459 8.3459 8.4189 8.4189 8.7841 8.7841 9.8703 9.8703 10.0063 10.0063 10.3456 10.3456 10.3631 10.3631 10.4336 10.4336 10.6272 10.6272 11.9491 11.9491 12.0309 12.0309 12.0455 12.0455 12.4814 12.4814 12.6017 12.6017 12.6418 12.6418 12.6788 12.6788 13.0910 13.0910 13.3282 13.3282 13.5168 13.5168 14.0401 14.0401 14.0686 14.0686 k = 0.1218 0.2110-0.0000 ( 2565 PWs) bands (ev): 0.9909 0.9909 4.2457 4.2457 7.5326 7.5326 8.3593 8.3593 8.4834 8.4834 8.7784 8.7784 9.8667 9.8667 10.0210 10.0210 10.3308 10.3308 10.3483 10.3483 10.4285 10.4285 10.6067 10.6067 11.9634 11.9634 12.0551 12.0551 12.0610 12.0610 12.5050 12.5050 12.6142 12.6142 12.6483 12.6483 12.6858 12.6858 13.1013 13.1013 13.3470 13.3470 13.5163 13.5163 14.0907 14.0907 14.1522 14.1522 k = 0.1154 0.1999-0.0000 ( 2563 PWs) bands (ev): 0.9407 0.9407 4.2560 4.2560 7.4934 7.4934 8.3709 8.3709 8.5334 8.5334 8.7867 8.7867 9.8653 9.8653 10.0353 10.0353 10.3161 10.3161 10.3363 10.3363 10.4218 10.4218 10.5870 10.5870 11.9776 11.9776 12.0725 12.0725 12.0801 12.0801 12.5285 12.5285 12.6271 12.6271 12.6550 12.6550 12.6928 12.6928 13.1098 13.1098 13.3656 13.3656 13.5165 13.5165 14.1059 14.1059 14.2657 14.2657 k = 0.1090 0.1887-0.0000 ( 2565 PWs) bands (ev): 0.8929 0.8929 4.2652 4.2652 7.4560 7.4560 8.3808 8.3808 8.5623 8.5623 8.8157 8.8157 9.8654 9.8654 10.0488 10.0488 10.3017 10.3017 10.3276 10.3276 10.4128 10.4128 10.5687 10.5687 11.9914 11.9914 12.0849 12.0849 12.1012 12.1012 12.5515 12.5515 12.6401 12.6401 12.6620 12.6620 12.6995 12.6995 13.1167 13.1167 13.3835 13.3835 13.5175 13.5175 14.1206 14.1206 14.3796 14.3796 k = 0.1026 0.1776-0.0000 ( 2563 PWs) bands (ev): 0.8475 0.8475 4.2733 4.2733 7.4205 7.4205 8.3891 8.3891 8.5709 8.5709 8.8644 8.8644 9.8666 9.8666 10.0615 10.0615 10.2875 10.2875 10.3225 10.3225 10.4011 10.4011 10.5525 10.5525 12.0049 12.0049 12.0957 12.0957 12.1210 12.1210 12.5739 12.5739 12.6527 12.6527 12.6699 12.6699 12.7059 12.7059 13.1221 13.1221 13.4007 13.4007 13.5190 13.5190 14.1353 14.1353 14.4931 14.4931 k = 0.0962 0.1665-0.0000 ( 2561 PWs) bands (ev): 0.8048 0.8048 4.2804 4.2804 7.3870 7.3870 8.3959 8.3959 8.5666 8.5666 8.9254 8.9254 9.8679 9.8679 10.0736 10.0736 10.2738 10.2738 10.3213 10.3213 10.3862 10.3862 10.5386 10.5386 12.0179 12.0179 12.1055 12.1055 12.1392 12.1392 12.5953 12.5953 12.6635 12.6635 12.6803 12.6803 12.7119 12.7119 13.1258 13.1258 13.4172 13.4172 13.5211 13.5211 14.1499 14.1499 14.6062 14.6062 k = 0.0897 0.1554-0.0000 ( 2557 PWs) bands (ev): 0.7646 0.7646 4.2867 4.2867 7.3556 7.3556 8.4012 8.4012 8.5560 8.5560 8.9922 8.9922 9.8690 9.8690 10.0849 10.0849 10.2606 10.2606 10.3239 10.3239 10.3678 10.3678 10.5272 10.5272 12.0304 12.0304 12.1144 12.1144 12.1559 12.1559 12.6155 12.6155 12.6717 12.6717 12.6940 12.6940 12.7175 12.7175 13.1281 13.1281 13.4331 13.4331 13.5237 13.5237 14.1644 14.1644 14.7197 14.7197 k = 0.0833 0.1443-0.0000 ( 2549 PWs) bands (ev): 0.7270 0.7270 4.2921 4.2921 7.3262 7.3262 8.4051 8.4051 8.5425 8.5425 9.0615 9.0615 9.8695 9.8695 10.0956 10.0956 10.2480 10.2480 10.3304 10.3304 10.3460 10.3460 10.5182 10.5182 12.0422 12.0422 12.1227 12.1227 12.1712 12.1712 12.6345 12.6345 12.6780 12.6780 12.7098 12.7098 12.7227 12.7227 13.1289 13.1289 13.4481 13.4481 13.5267 13.5267 14.1787 14.1787 14.8335 14.8335 k = 0.0769 0.1332-0.0000 ( 2553 PWs) bands (ev): 0.6920 0.6920 4.2967 4.2967 7.2988 7.2988 8.4079 8.4079 8.5280 8.5280 9.1312 9.1312 9.8690 9.8690 10.1054 10.1054 10.2361 10.2361 10.3210 10.3210 10.3404 10.3404 10.5114 10.5114 12.0532 12.0532 12.1301 12.1301 12.1849 12.1849 12.6520 12.6520 12.6835 12.6835 12.7265 12.7265 12.7278 12.7278 13.1281 13.1281 13.4621 13.4621 13.5299 13.5299 14.1926 14.1926 14.9475 14.9475 k = 0.0705 0.1221-0.0000 ( 2553 PWs) bands (ev): 0.6598 0.6598 4.3007 4.3007 7.2735 7.2735 8.4095 8.4095 8.5135 8.5135 9.2005 9.2005 9.8675 9.8675 10.1144 10.1144 10.2248 10.2248 10.2937 10.2937 10.3531 10.3531 10.5061 10.5061 12.0634 12.0634 12.1371 12.1371 12.1974 12.1974 12.6679 12.6679 12.6886 12.6886 12.7326 12.7326 12.7440 12.7440 13.1260 13.1260 13.4752 13.4752 13.5333 13.5333 14.2059 14.2059 15.0609 15.0609 k = 0.0641 0.1110-0.0000 ( 2553 PWs) bands (ev): 0.6302 0.6302 4.3041 4.3041 7.2504 7.2504 8.4103 8.4103 8.4996 8.4996 9.2688 9.2688 9.8652 9.8652 10.1226 10.1226 10.2140 10.2140 10.2642 10.2642 10.3682 10.3682 10.5020 10.5020 12.0727 12.0727 12.1437 12.1437 12.2086 12.2086 12.6816 12.6816 12.6938 12.6938 12.7380 12.7380 12.7612 12.7612 13.1226 13.1226 13.4872 13.4872 13.5369 13.5369 14.2185 14.2185 15.1727 15.1727 k = 0.0577 0.0999-0.0000 ( 2551 PWs) bands (ev): 0.6035 0.6035 4.3069 4.3069 7.2294 7.2294 8.4102 8.4102 8.4866 8.4866 9.3357 9.3357 9.8622 9.8622 10.1300 10.1300 10.2032 10.2032 10.2337 10.2337 10.3848 10.3848 10.4987 10.4987 12.0809 12.0809 12.1498 12.1498 12.2187 12.2187 12.6912 12.6912 12.7007 12.7007 12.7444 12.7444 12.7779 12.7779 13.1180 13.1180 13.4981 13.4981 13.5407 13.5407 14.2305 14.2305 15.2810 15.2810 k = 0.0513 0.0888-0.0000 ( 2551 PWs) bands (ev): 0.5794 0.5794 4.3093 4.3093 7.2105 7.2105 8.4093 8.4093 8.4751 8.4751 9.4011 9.4011 9.8587 9.8587 10.1361 10.1361 10.1881 10.1881 10.2067 10.2067 10.4021 10.4021 10.4963 10.4963 12.0882 12.0882 12.1555 12.1555 12.2275 12.2275 12.6962 12.6962 12.7092 12.7092 12.7522 12.7522 12.7938 12.7938 13.1123 13.1123 13.5077 13.5077 13.5444 13.5444 14.2414 14.2414 15.3831 15.3831 k = 0.0449 0.0777-0.0000 ( 2545 PWs) bands (ev): 0.5582 0.5582 4.3112 4.3112 7.1938 7.1938 8.4078 8.4078 8.4651 8.4651 9.4647 9.4647 9.8550 9.8550 10.1396 10.1396 10.1608 10.1608 10.1933 10.1933 10.4193 10.4193 10.4943 10.4943 12.0945 12.0945 12.1608 12.1608 12.2353 12.2353 12.6995 12.6995 12.7165 12.7165 12.7617 12.7617 12.8087 12.8087 13.1057 13.1057 13.5161 13.5161 13.5483 13.5483 14.2515 14.2515 15.4750 15.4750 k = 0.0385 0.0666-0.0000 ( 2543 PWs) bands (ev): 0.5397 0.5397 4.3128 4.3128 7.1793 7.1793 8.4057 8.4057 8.4567 8.4567 9.5265 9.5265 9.8514 9.8514 10.1188 10.1188 10.1503 10.1503 10.1855 10.1855 10.4359 10.4359 10.4928 10.4928 12.0999 12.0999 12.1656 12.1656 12.2419 12.2419 12.7017 12.7017 12.7219 12.7219 12.7721 12.7721 12.8224 12.8224 13.0985 13.0985 13.5231 13.5231 13.5521 13.5521 14.2603 14.2603 15.5518 15.5518 k = 0.0321 0.0555-0.0000 ( 2545 PWs) bands (ev): 0.5241 0.5241 4.3140 4.3140 7.1671 7.1671 8.4032 8.4032 8.4500 8.4500 9.5863 9.5863 9.8479 9.8479 10.0813 10.0813 10.1531 10.1531 10.1798 10.1798 10.4510 10.4510 10.4917 10.4917 12.1042 12.1042 12.1697 12.1697 12.2474 12.2474 12.7034 12.7034 12.7259 12.7259 12.7826 12.7826 12.8347 12.8347 13.0909 13.0909 13.5286 13.5286 13.5556 13.5556 14.2680 14.2680 15.6096 15.6096 k = 0.0256 0.0444-0.0000 ( 2555 PWs) bands (ev): 0.5113 0.5113 4.3150 4.3150 7.1570 7.1570 8.4006 8.4006 8.4449 8.4449 9.6440 9.6440 9.8448 9.8448 10.0408 10.0408 10.1556 10.1556 10.1755 10.1755 10.4640 10.4640 10.4908 10.4908 12.1077 12.1077 12.1732 12.1732 12.2518 12.2518 12.7045 12.7045 12.7287 12.7287 12.7924 12.7924 12.8453 12.8453 13.0835 13.0835 13.5330 13.5330 13.5589 13.5589 14.2743 14.2743 15.6481 15.6481 k = 0.0192 0.0333-0.0000 ( 2553 PWs) bands (ev): 0.5013 0.5013 4.3157 4.3157 7.1492 7.1492 8.3982 8.3982 8.4413 8.4413 9.6997 9.6997 9.8423 9.8423 9.9985 9.9985 10.1574 10.1574 10.1727 10.1727 10.4747 10.4747 10.4903 10.4903 12.1105 12.1105 12.1760 12.1760 12.2552 12.2552 12.7053 12.7053 12.7308 12.7308 12.8008 12.8008 12.8542 12.8542 13.0767 13.0767 13.5362 13.5362 13.5617 13.5617 14.2793 14.2793 15.6709 15.6709 k = 0.0128 0.0222-0.0000 ( 2561 PWs) bands (ev): 0.4941 0.4941 4.3162 4.3162 7.1436 7.1436 8.3962 8.3962 8.4388 8.4388 9.7529 9.7529 9.8405 9.8405 9.9546 9.9546 10.1580 10.1580 10.1713 10.1713 10.4824 10.4824 10.4899 10.4899 12.1123 12.1123 12.1780 12.1780 12.2577 12.2577 12.7058 12.7058 12.7323 12.7323 12.8071 12.8071 12.8609 12.8609 13.0712 13.0712 13.5384 13.5384 13.5638 13.5638 14.2830 14.2830 15.6831 15.6831 k = 0.0064 0.0111-0.0000 ( 2565 PWs) bands (ev): 0.4899 0.4899 4.3165 4.3165 7.1402 7.1402 8.3949 8.3949 8.4374 8.4374 9.8024 9.8024 9.8401 9.8401 9.9100 9.9100 10.1580 10.1580 10.1708 10.1708 10.4866 10.4866 10.4902 10.4902 12.1134 12.1134 12.1792 12.1792 12.2591 12.2591 12.7061 12.7061 12.7331 12.7331 12.8111 12.8111 12.8652 12.8652 13.0675 13.0675 13.5396 13.5396 13.5651 13.5651 14.2851 14.2851 15.6888 15.6888 k = 0.0000 0.0000 0.0000 ( 2559 PWs) bands (ev): 0.4884 0.4884 4.3166 4.3166 7.1391 7.1391 8.3945 8.3945 8.4370 8.4370 9.8300 9.8300 9.8471 9.8471 9.8770 9.8770 10.1579 10.1579 10.1707 10.1707 10.4877 10.4877 10.4907 10.4907 12.1139 12.1139 12.1798 12.1798 12.2596 12.2596 12.7062 12.7062 12.7334 12.7334 12.8125 12.8125 12.8667 12.8667 13.0663 13.0663 13.5401 13.5401 13.5655 13.5655 14.2860 14.2860 15.6904 15.6904 k = 0.0000 0.0000 0.0000 ( 2559 PWs) bands (ev): 0.4884 0.4884 4.3166 4.3166 7.1391 7.1391 8.3945 8.3945 8.4370 8.4370 9.8300 9.8300 9.8471 9.8471 9.8770 9.8770 10.1579 10.1579 10.1707 10.1707 10.4877 10.4877 10.4907 10.4907 12.1139 12.1139 12.1798 12.1798 12.2596 12.2596 12.7062 12.7062 12.7334 12.7334 12.8125 12.8125 12.8667 12.8667 13.0663 13.0663 13.5401 13.5401 13.5655 13.5655 14.2860 14.2860 15.6904 15.6904 k = 0.0000 0.0000 0.0126 ( 2565 PWs) bands (ev): 0.4899 0.4899 4.3113 4.3113 7.1436 7.1436 8.3949 8.3949 8.4374 8.4374 9.8252 9.8252 9.8422 9.8422 9.8776 9.8776 10.1622 10.1622 10.1748 10.1748 10.4879 10.4879 10.4909 10.4909 12.1147 12.1147 12.1805 12.1805 12.2579 12.2579 12.7062 12.7062 12.7333 12.7333 12.8125 12.8125 12.8666 12.8666 13.0662 13.0662 13.5394 13.5394 13.5647 13.5647 14.2879 14.2879 15.6909 15.6909 k = 0.0000 0.0000 0.0252 ( 2571 PWs) bands (ev): 0.4941 0.4941 4.2956 4.2956 7.1571 7.1571 8.3960 8.3960 8.4385 8.4385 9.8115 9.8115 9.8284 9.8284 9.8790 9.8790 10.1744 10.1744 10.1867 10.1867 10.4885 10.4885 10.4915 10.4915 12.1174 12.1174 12.1830 12.1830 12.2525 12.2525 12.7061 12.7061 12.7332 12.7332 12.8126 12.8126 12.8665 12.8665 13.0658 13.0658 13.5373 13.5373 13.5624 13.5624 14.2939 14.2939 15.6924 15.6924 k = 0.0000 0.0000 0.0378 ( 2559 PWs) bands (ev): 0.5013 0.5013 4.2699 4.2699 7.1792 7.1792 8.3980 8.3980 8.4404 8.4404 9.7908 9.7908 9.8075 9.8075 9.8821 9.8821 10.1926 10.1926 10.2046 10.2046 10.4896 10.4896 10.4926 10.4926 12.1221 12.1221 12.1874 12.1874 12.2438 12.2438 12.7061 12.7061 12.7329 12.7329 12.8127 12.8127 12.8664 12.8664 13.0651 13.0651 13.5339 13.5339 13.5586 13.5586 14.3040 14.3040 15.6950 15.6950 k = 0.0000 0.0000 0.0503 ( 2559 PWs) bands (ev): 0.5113 0.5113 4.2346 4.2346 7.2094 7.2094 8.4006 8.4006 8.4430 8.4430 9.7645 9.7645 9.7812 9.7812 9.8864 9.8864 10.2149 10.2149 10.2268 10.2268 10.4911 10.4911 10.4940 10.4940 12.1285 12.1285 12.1933 12.1933 12.2318 12.2318 12.7061 12.7061 12.7325 12.7325 12.8129 12.8129 12.8662 12.8662 13.0635 13.0635 13.5291 13.5291 13.5531 13.5531 14.3184 14.3184 15.6989 15.6989 k = 0.0000 0.0000 0.0629 ( 2571 PWs) bands (ev): 0.5241 0.5241 4.1904 4.1904 7.2472 7.2472 8.4040 8.4040 8.4462 8.4462 9.7343 9.7343 9.7511 9.7511 9.8917 9.8917 10.2396 10.2396 10.2514 10.2514 10.4928 10.4928 10.4956 10.4956 12.1365 12.1365 12.2007 12.2007 12.2164 12.2164 12.7061 12.7061 12.7320 12.7320 12.8130 12.8130 12.8658 12.8658 13.0608 13.0608 13.5229 13.5229 13.5461 13.5461 14.3372 14.3372 15.7042 15.7042 k = 0.0000 0.0000 0.0755 ( 2565 PWs) bands (ev): 0.5397 0.5397 4.1382 4.1382 7.2918 7.2918 8.4082 8.4082 8.4504 8.4504 9.7014 9.7014 9.7186 9.7186 9.8979 9.8979 10.2659 10.2659 10.2778 10.2778 10.4952 10.4952 10.4979 10.4979 12.1465 12.1465 12.1979 12.1979 12.2099 12.2099 12.7061 12.7061 12.7314 12.7314 12.8133 12.8133 12.8654 12.8654 13.0565 13.0565 13.5154 13.5154 13.5377 13.5377 14.3607 14.3607 15.7114 15.7114 k = 0.0000 0.0000 0.0881 ( 2577 PWs) bands (ev): 0.5582 0.5582 4.0787 4.0787 7.3424 7.3424 8.4131 8.4131 8.4553 8.4553 9.6665 9.6665 9.6842 9.6842 9.9048 9.9048 10.2926 10.2926 10.3048 10.3048 10.4979 10.4979 10.5005 10.5005 12.1581 12.1581 12.1761 12.1761 12.2206 12.2206 12.7059 12.7059 12.7304 12.7304 12.8135 12.8135 12.8649 12.8649 13.0501 13.0501 13.5065 13.5065 13.5277 13.5277 14.3888 14.3888 15.7208 15.7208 k = 0.0000 0.0000 0.1007 ( 2589 PWs) bands (ev): 0.5795 0.5795 4.0128 4.0128 7.3983 7.3983 8.4189 8.4189 8.4609 8.4609 9.6303 9.6303 9.6486 9.6486 9.9122 9.9122 10.3195 10.3195 10.3320 10.3320 10.5009 10.5009 10.5034 10.5034 12.1518 12.1518 12.1712 12.1712 12.2327 12.2327 12.7061 12.7061 12.7296 12.7296 12.8138 12.8138 12.8642 12.8642 13.0411 13.0411 13.4963 13.4963 13.5161 13.5161 14.4212 14.4212 15.7329 15.7329 k = 0.0000 0.0000 0.1133 ( 2595 PWs) bands (ev): 0.6036 0.6036 3.9412 3.9412 7.4589 7.4589 8.4254 8.4254 8.4673 8.4673 9.5932 9.5932 9.6122 9.6122 9.9198 9.9198 10.3461 10.3461 10.3590 10.3590 10.5044 10.5044 10.5068 10.5068 12.1249 12.1249 12.1860 12.1860 12.2463 12.2463 12.7063 12.7063 12.7287 12.7287 12.8143 12.8143 12.8634 12.8634 13.0291 13.0291 13.4848 13.4848 13.5032 13.5032 14.4581 14.4581 15.6758 15.6758 k = 0.0000 0.0000 0.1259 ( 2583 PWs) bands (ev): 0.6305 0.6305 3.8648 3.8648 7.5236 7.5236 8.4328 8.4328 8.4745 8.4745 9.5555 9.5555 9.5753 9.5753 9.9275 9.9275 10.3722 10.3722 10.3855 10.3855 10.5083 10.5083 10.5106 10.5106 12.0962 12.0962 12.2025 12.2025 12.2615 12.2615 12.7069 12.7069 12.7280 12.7280 12.8148 12.8148 12.8625 12.8625 13.0140 13.0140 13.4722 13.4722 13.4889 13.4889 14.4990 14.4990 15.6182 15.6182 k = 0.0000 0.0000 0.1384 ( 2571 PWs) bands (ev): 0.6602 0.6602 3.7842 3.7842 7.5917 7.5917 8.4410 8.4410 8.4825 8.4825 9.5175 9.5175 9.5381 9.5381 9.9350 9.9350 10.3973 10.3973 10.4110 10.4110 10.5126 10.5126 10.5147 10.5147 12.0658 12.0658 12.2205 12.2205 12.2780 12.2780 12.7076 12.7076 12.7272 12.7272 12.8155 12.8155 12.8613 12.8613 12.9956 12.9956 13.4584 13.4584 13.4733 13.4733 14.5432 14.5432 15.5619 15.5619 k = 0.0000 0.0000 0.1510 ( 2565 PWs) bands (ev): 0.6927 0.6927 3.7002 3.7002 7.6627 7.6627 8.4499 8.4499 8.4912 8.4912 9.4792 9.4792 9.5006 9.5006 9.9416 9.9416 10.4215 10.4215 10.4355 10.4355 10.5172 10.5172 10.5192 10.5192 12.0347 12.0347 12.2397 12.2397 12.2956 12.2956 12.7084 12.7084 12.7263 12.7263 12.8164 12.8164 12.8597 12.8597 12.9741 12.9741 13.4432 13.4432 13.4563 13.4563 14.5896 14.5896 15.5076 15.5076 k = 0.0000 0.0000 0.1636 ( 2565 PWs) bands (ev): 0.7279 0.7279 3.6132 3.6132 7.7362 7.7362 8.4597 8.4597 8.5007 8.5007 9.4409 9.4409 9.4631 9.4631 9.9469 9.9469 10.4444 10.4444 10.4589 10.4589 10.5222 10.5222 10.5239 10.5239 12.0026 12.0026 12.2603 12.2603 12.3144 12.3144 12.7093 12.7093 12.7254 12.7254 12.8173 12.8173 12.8573 12.8573 12.9494 12.9494 13.4269 13.4269 13.4379 13.4379 14.6370 14.6370 15.4557 15.4557 k = 0.0000 0.0000 0.1762 ( 2547 PWs) bands (ev): 0.7658 0.7658 3.5239 3.5239 7.8119 7.8119 8.4703 8.4703 8.5111 8.5111 9.4027 9.4027 9.4259 9.4259 9.9504 9.9504 10.4662 10.4662 10.4810 10.4810 10.5276 10.5276 10.5292 10.5292 11.9708 11.9708 12.2822 12.2822 12.3344 12.3344 12.7105 12.7105 12.7245 12.7245 12.8187 12.8187 12.8532 12.8532 12.9231 12.9231 13.4094 13.4094 13.4182 13.4182 14.6842 14.6842 15.4067 15.4067 k = 0.0000 0.0000 0.1888 ( 2547 PWs) bands (ev): 0.8064 0.8064 3.4326 3.4326 7.8892 7.8892 8.4817 8.4817 8.5222 8.5222 9.3647 9.3647 9.3887 9.3887 9.9517 9.9517 10.4866 10.4866 10.5016 10.5016 10.5332 10.5332 10.5347 10.5347 11.9396 11.9396 12.3052 12.3052 12.3552 12.3552 12.7118 12.7118 12.7236 12.7236 12.8201 12.8201 12.8440 12.8440 12.8982 12.8982 13.3909 13.3909 13.3973 13.3973 14.7297 14.7297 15.3607 15.3607 k = 0.0000 0.0000 0.2014 ( 2547 PWs) bands (ev): 0.8497 0.8497 3.3399 3.3399 7.9680 7.9680 8.4940 8.4940 8.5341 8.5341 9.3269 9.3269 9.3518 9.3518 9.9502 9.9502 10.5054 10.5054 10.5208 10.5208 10.5390 10.5390 10.5404 10.5404 11.9099 11.9099 12.3292 12.3292 12.3770 12.3770 12.7133 12.7133 12.7227 12.7227 12.8217 12.8217 12.8237 12.8237 12.8812 12.8812 13.3713 13.3713 13.3752 13.3752 14.7726 14.7726 15.3180 15.3180 k = 0.0000 0.0000 0.2140 ( 2547 PWs) bands (ev): 0.8957 0.8957 3.2460 3.2460 8.0479 8.0479 8.5071 8.5071 8.5469 8.5469 9.2895 9.2895 9.3152 9.3152 9.9452 9.9452 10.5227 10.5227 10.5385 10.5385 10.5451 10.5451 10.5465 10.5465 11.8825 11.8825 12.3541 12.3541 12.3994 12.3994 12.7149 12.7149 12.7217 12.7217 12.7915 12.7915 12.8236 12.8236 12.8730 12.8730 13.3507 13.3507 13.3521 13.3521 14.8116 14.8116 15.2785 15.2785 k = 0.0000 0.0000 0.2265 ( 2546 PWs) bands (ev): 0.9443 0.9443 3.1514 3.1514 8.1288 8.1288 8.5212 8.5212 8.5604 8.5604 9.2525 9.2525 9.2791 9.2791 9.9364 9.9364 10.5380 10.5380 10.5513 10.5513 10.5532 10.5532 10.5547 10.5547 11.8582 11.8582 12.3798 12.3798 12.4225 12.4225 12.7167 12.7167 12.7208 12.7208 12.7526 12.7526 12.8259 12.8259 12.8691 12.8691 13.3279 13.3279 13.3291 13.3291 14.8463 14.8463 15.2424 15.2424 k = 0.0000 0.0000 0.2391 ( 2546 PWs) bands (ev): 0.9955 0.9955 3.0564 3.0564 8.2104 8.2104 8.5363 8.5363 8.5748 8.5748 9.2159 9.2159 9.2434 9.2434 9.9229 9.9229 10.5508 10.5508 10.5578 10.5578 10.5612 10.5612 10.5693 10.5693 11.8377 11.8377 12.4060 12.4060 12.4460 12.4460 12.7098 12.7098 12.7186 12.7186 12.7199 12.7199 12.8287 12.8287 12.8669 12.8669 13.3027 13.3027 13.3067 13.3067 14.8763 14.8763 15.2095 15.2095 k = 0.0000 0.0000 0.2517 ( 2546 PWs) bands (ev): 1.0492 1.0492 2.9612 2.9612 8.2925 8.2925 8.5524 8.5524 8.5901 8.5901 9.1799 9.1799 9.2083 9.2083 9.9044 9.9044 10.5602 10.5602 10.5643 10.5643 10.5711 10.5711 10.5823 10.5823 11.8218 11.8218 12.4322 12.4322 12.4697 12.4697 12.6647 12.6647 12.7189 12.7189 12.7207 12.7207 12.8320 12.8320 12.8656 12.8656 13.2766 13.2766 13.2834 13.2834 14.9017 14.9017 15.1798 15.1798 k = 0.0000 0.0000 0.2643 ( 2546 PWs) bands (ev): 1.1055 1.1055 2.8661 2.8661 8.3747 8.3747 8.5698 8.5698 8.6062 8.6062 9.1445 9.1445 9.1737 9.1737 9.8805 9.8805 10.5676 10.5676 10.5709 10.5709 10.5816 10.5816 10.5938 10.5938 11.8109 11.8109 12.4576 12.4576 12.4936 12.4936 12.6187 12.6187 12.7178 12.7178 12.7227 12.7227 12.8360 12.8360 12.8649 12.8649 13.2497 13.2497 13.2594 13.2594 14.9228 14.9228 15.1531 15.1531 k = 0.0000 0.0000 0.2769 ( 2540 PWs) bands (ev): 1.1643 1.1643 2.7713 2.7713 8.4564 8.4564 8.5890 8.5890 8.6231 8.6231 9.1098 9.1098 9.1397 9.1397 9.8509 9.8509 10.5743 10.5743 10.5775 10.5775 10.5913 10.5913 10.6038 10.6038 11.8055 11.8055 12.4787 12.4787 12.5172 12.5172 12.5755 12.5755 12.7167 12.7167 12.7248 12.7248 12.8410 12.8410 12.8648 12.8648 13.2221 13.2221 13.2347 13.2347 14.9401 14.9401 15.1293 15.1293 k = 0.0000 0.0000 0.2895 ( 2540 PWs) bands (ev): 1.2255 1.2255 2.6770 2.6770 8.5348 8.5348 8.6125 8.6125 8.6409 8.6409 9.0756 9.0756 9.1064 9.1064 9.8156 9.8156 10.5807 10.5807 10.5841 10.5841 10.5998 10.5998 10.6122 10.6122 11.8059 11.8059 12.4793 12.4793 12.5404 12.5404 12.5517 12.5517 12.7154 12.7154 12.7268 12.7268 12.8469 12.8469 12.8652 12.8652 13.1939 13.1939 13.2095 13.2095 14.9540 14.9540 15.1082 15.1082 k = 0.0000 0.0000 0.3021 ( 2540 PWs) bands (ev): 1.2891 1.2891 2.5835 2.5835 8.5973 8.5973 8.6527 8.6527 8.6596 8.6596 9.0422 9.0422 9.0737 9.0737 9.7746 9.7746 10.5869 10.5869 10.5907 10.5907 10.6071 10.6071 10.6193 10.6193 11.8121 11.8121 12.4439 12.4439 12.5626 12.5626 12.5628 12.5628 12.7140 12.7140 12.7287 12.7287 12.8541 12.8541 12.8664 12.8664 13.1651 13.1651 13.1837 13.1837 14.9651 14.9651 15.0897 15.0897 k = 0.0000 0.0000 0.3146 ( 2546 PWs) bands (ev): 1.3551 1.3551 2.4908 2.4908 8.6311 8.6311 8.6791 8.6791 8.7224 8.7224 9.0094 9.0094 9.0417 9.0417 9.7280 9.7280 10.5928 10.5928 10.5970 10.5970 10.6131 10.6131 10.6249 10.6249 11.8242 11.8242 12.3956 12.3956 12.5841 12.5841 12.5853 12.5853 12.7123 12.7123 12.7302 12.7302 12.8628 12.8628 12.8685 12.8685 13.1360 13.1360 13.1575 13.1575 14.9740 14.9740 15.0736 15.0736 k = 0.0000 0.0000 0.3272 ( 2546 PWs) bands (ev): 1.4234 1.4234 2.3991 2.3991 8.6556 8.6556 8.6995 8.6995 8.8019 8.8019 8.9775 8.9775 9.0105 9.0105 9.6762 9.6762 10.5984 10.5984 10.6031 10.6031 10.6177 10.6177 10.6292 10.6292 11.8419 11.8419 12.3443 12.3443 12.6040 12.6040 12.6099 12.6099 12.7102 12.7102 12.7314 12.7314 12.8720 12.8720 12.8732 12.8732 13.1068 13.1068 13.1312 13.1312 14.9811 14.9811 15.0596 15.0596 k = 0.0000 0.0000 0.3398 ( 2546 PWs) bands (ev): 1.4940 1.4940 2.3087 2.3087 8.6789 8.6789 8.7207 8.7207 8.8832 8.8832 8.9463 8.9463 8.9801 8.9801 9.6196 9.6196 10.6036 10.6036 10.6089 10.6089 10.6212 10.6212 10.6321 10.6321 11.8650 11.8650 12.2923 12.2923 12.6222 12.6222 12.6340 12.6340 12.7077 12.7077 12.7320 12.7320 12.8772 12.8772 12.8856 12.8856 13.0778 13.0778 13.1048 13.1048 14.9870 14.9870 15.0476 15.0476 k = 0.0000 0.0000 0.3524 ( 2546 PWs) bands (ev): 1.5667 1.5667 2.2196 2.2196 8.7023 8.7023 8.7428 8.7428 8.9160 8.9160 8.9504 8.9504 8.9644 8.9644 9.5585 9.5585 10.6085 10.6085 10.6143 10.6143 10.6235 10.6235 10.6339 10.6339 11.8930 11.8930 12.2404 12.2404 12.6385 12.6385 12.6563 12.6563 12.7047 12.7047 12.7319 12.7319 12.8847 12.8847 12.9001 12.9001 13.0490 13.0490 13.0784 13.0784 14.9920 14.9920 15.0374 15.0374 k = 0.0000 0.0000 0.3650 ( 2546 PWs) bands (ev): 1.6416 1.6416 2.1319 2.1319 8.7263 8.7263 8.7658 8.7658 8.8864 8.8864 8.9216 8.9216 9.0449 9.0449 9.4934 9.4934 10.6130 10.6130 10.6194 10.6194 10.6247 10.6247 10.6346 10.6346 11.9250 11.9250 12.1893 12.1893 12.6528 12.6528 12.6762 12.6762 12.7009 12.7009 12.7306 12.7306 12.8950 12.8950 12.9168 12.9168 13.0211 13.0211 13.0525 13.0525 14.9963 14.9963 15.0287 15.0287 k = 0.0000 0.0000 0.3776 ( 2546 PWs) bands (ev): 1.7186 1.7186 2.0457 2.0457 8.7509 8.7509 8.7897 8.7897 8.8577 8.8577 8.8935 8.8935 9.1245 9.1245 9.4248 9.4248 10.6168 10.6168 10.6238 10.6238 10.6249 10.6249 10.6342 10.6342 11.9617 11.9617 12.1394 12.1394 12.6650 12.6650 12.6930 12.6930 12.6963 12.6963 12.7279 12.7279 12.9085 12.9085 12.9355 12.9355 12.9941 12.9941 13.0270 13.0270 15.0006 15.0006 15.0213 15.0213 k = 0.0000 0.0000 0.3902 ( 2540 PWs) bands (ev): 1.7976 1.7976 1.9612 1.9612 8.7763 8.7763 8.8143 8.8143 8.8297 8.8297 8.8663 8.8663 9.2026 9.2026 9.3532 9.3532 10.6200 10.6200 10.6241 10.6241 10.6275 10.6275 10.6328 10.6328 12.0019 12.0019 12.0912 12.0912 12.6755 12.6755 12.6909 12.6909 12.7065 12.7065 12.7236 12.7236 12.9255 12.9255 12.9562 12.9562 12.9689 12.9689 13.0022 13.0022 15.0049 15.0049 15.0150 15.0150 k = 0.0000 0.0000 0.4027 ( 2540 PWs) bands (ev): 1.8785 1.8785 1.8785 1.8785 8.8026 8.8026 8.8026 8.8026 8.8399 8.8399 8.8399 8.8399 9.2790 9.2790 9.2790 9.2790 10.6224 10.6224 10.6224 10.6224 10.6306 10.6306 10.6306 10.6306 12.0452 12.0452 12.0452 12.0452 12.6839 12.6839 12.6839 12.6839 12.7166 12.7166 12.7166 12.7166 12.9458 12.9458 12.9458 12.9458 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0000 0.0000 0.4027 ( 2540 PWs) bands (ev): 1.8785 1.8785 1.8785 1.8785 8.8026 8.8026 8.8026 8.8026 8.8399 8.8399 8.8399 8.8399 9.2790 9.2790 9.2790 9.2790 10.6224 10.6224 10.6224 10.6224 10.6306 10.6306 10.6306 10.6306 12.0452 12.0452 12.0452 12.0452 12.6839 12.6839 12.6839 12.6839 12.7166 12.7166 12.7166 12.7166 12.9458 12.9458 12.9458 12.9458 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0111 0.0064 0.4027 ( 2540 PWs) bands (ev): 1.8797 1.8797 1.8797 1.8797 8.8000 8.8000 8.8000 8.8000 8.8377 8.8377 8.8377 8.8377 9.2823 9.2823 9.2823 9.2823 10.6228 10.6228 10.6228 10.6228 10.6309 10.6309 10.6309 10.6309 12.0453 12.0453 12.0453 12.0453 12.6825 12.6825 12.6825 12.6825 12.7151 12.7151 12.7151 12.7151 12.9457 12.9457 12.9457 12.9457 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0222 0.0128 0.4027 ( 2544 PWs) bands (ev): 1.8835 1.8835 1.8835 1.8835 8.7897 8.7897 8.7897 8.7897 8.8341 8.8341 8.8341 8.8341 9.2917 9.2917 9.2917 9.2917 10.6239 10.6239 10.6239 10.6239 10.6320 10.6320 10.6320 10.6320 12.0456 12.0456 12.0456 12.0456 12.6781 12.6781 12.6781 12.6781 12.7108 12.7108 12.7108 12.7108 12.9454 12.9454 12.9454 12.9454 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0333 0.0192 0.4027 ( 2550 PWs) bands (ev): 1.8897 1.8897 1.8897 1.8897 8.7688 8.7688 8.7688 8.7688 8.8333 8.8333 8.8333 8.8333 9.3061 9.3061 9.3061 9.3061 10.6255 10.6255 10.6255 10.6255 10.6338 10.6338 10.6338 10.6338 12.0461 12.0461 12.0461 12.0461 12.6708 12.6708 12.6708 12.6708 12.7037 12.7037 12.7037 12.7037 12.9446 12.9446 12.9446 12.9446 12.9786 12.9786 12.9786 12.9786 15.0096 15.0096 15.0096 15.0096 k = 0.0444 0.0257 0.4027 ( 2554 PWs) bands (ev): 1.8985 1.8985 1.8985 1.8985 8.7381 8.7381 8.7381 8.7381 8.8358 8.8358 8.8358 8.8358 9.3240 9.3240 9.3240 9.3240 10.6279 10.6279 10.6279 10.6279 10.6364 10.6364 10.6364 10.6364 12.0466 12.0466 12.0466 12.0466 12.6611 12.6611 12.6611 12.6611 12.6941 12.6941 12.6941 12.6941 12.9429 12.9429 12.9429 12.9429 12.9791 12.9791 12.9791 12.9791 15.0089 15.0089 15.0089 15.0089 k = 0.0556 0.0321 0.4027 ( 2564 PWs) bands (ev): 1.9097 1.9097 1.9097 1.9097 8.7001 8.7001 8.7001 8.7001 8.8406 8.8406 8.8406 8.8406 9.3438 9.3438 9.3438 9.3438 10.6308 10.6308 10.6308 10.6308 10.6399 10.6399 10.6399 10.6399 12.0471 12.0471 12.0471 12.0471 12.6489 12.6489 12.6489 12.6489 12.6822 12.6822 12.6822 12.6822 12.9400 12.9400 12.9400 12.9400 12.9798 12.9798 12.9798 12.9798 15.0074 15.0074 15.0074 15.0074 k = 0.0667 0.0385 0.4027 ( 2562 PWs) bands (ev): 1.9233 1.9233 1.9233 1.9233 8.6565 8.6565 8.6565 8.6565 8.8473 8.8473 8.8473 8.8473 9.3647 9.3647 9.3647 9.3647 10.6341 10.6341 10.6341 10.6341 10.6442 10.6442 10.6442 10.6442 12.0474 12.0474 12.0474 12.0474 12.6347 12.6347 12.6347 12.6347 12.6682 12.6682 12.6682 12.6682 12.9361 12.9361 12.9361 12.9361 12.9808 12.9808 12.9808 12.9808 15.0044 15.0044 15.0044 15.0044 k = 0.0778 0.0449 0.4027 ( 2566 PWs) bands (ev): 1.9394 1.9394 1.9394 1.9394 8.6085 8.6085 8.6085 8.6085 8.8554 8.8554 8.8554 8.8554 9.3856 9.3856 9.3856 9.3856 10.6380 10.6380 10.6380 10.6380 10.6494 10.6494 10.6494 10.6494 12.0475 12.0475 12.0475 12.0475 12.6186 12.6186 12.6186 12.6186 12.6524 12.6524 12.6524 12.6524 12.9309 12.9309 12.9309 12.9309 12.9816 12.9816 12.9816 12.9816 14.9992 14.9992 14.9992 14.9992 k = 0.0889 0.0513 0.4027 ( 2566 PWs) bands (ev): 1.9580 1.9580 1.9580 1.9580 8.5567 8.5567 8.5567 8.5567 8.8651 8.8651 8.8651 8.8651 9.4062 9.4062 9.4062 9.4062 10.6423 10.6423 10.6423 10.6423 10.6552 10.6552 10.6552 10.6552 12.0471 12.0471 12.0471 12.0471 12.6008 12.6008 12.6008 12.6008 12.6349 12.6349 12.6349 12.6349 12.9247 12.9247 12.9247 12.9247 12.9822 12.9822 12.9822 12.9822 14.9910 14.9910 14.9910 14.9910 k = 0.1000 0.0577 0.4027 ( 2562 PWs) bands (ev): 1.9789 1.9789 1.9789 1.9789 8.5019 8.5019 8.5019 8.5019 8.8761 8.8761 8.8761 8.8761 9.4259 9.4259 9.4259 9.4259 10.6471 10.6471 10.6471 10.6471 10.6619 10.6619 10.6619 10.6619 12.0461 12.0461 12.0461 12.0461 12.5816 12.5816 12.5816 12.5816 12.6159 12.6159 12.6159 12.6159 12.9175 12.9175 12.9175 12.9175 12.9821 12.9821 12.9821 12.9821 14.9789 14.9789 14.9789 14.9789 k = 0.1111 0.0642 0.4027 ( 2558 PWs) bands (ev): 2.0021 2.0021 2.0021 2.0021 8.4444 8.4444 8.4444 8.4444 8.8884 8.8884 8.8884 8.8884 9.4445 9.4445 9.4445 9.4445 10.6523 10.6523 10.6523 10.6523 10.6690 10.6690 10.6690 10.6690 12.0441 12.0441 12.0441 12.0441 12.5613 12.5613 12.5613 12.5613 12.5959 12.5959 12.5959 12.5959 12.9097 12.9097 12.9097 12.9097 12.9812 12.9812 12.9812 12.9812 14.9616 14.9616 14.9616 14.9616 k = 0.1222 0.0706 0.4027 ( 2554 PWs) bands (ev): 2.0277 2.0277 2.0277 2.0277 8.3845 8.3845 8.3845 8.3845 8.9020 8.9020 8.9020 8.9020 9.4617 9.4617 9.4617 9.4617 10.6580 10.6580 10.6580 10.6580 10.6766 10.6766 10.6766 10.6766 12.0411 12.0411 12.0411 12.0411 12.5400 12.5400 12.5400 12.5400 12.5748 12.5748 12.5748 12.5748 12.9013 12.9013 12.9013 12.9013 12.9792 12.9792 12.9792 12.9792 14.9382 14.9382 14.9382 14.9382 k = 0.1333 0.0770 0.4027 ( 2558 PWs) bands (ev): 2.0556 2.0556 2.0556 2.0556 8.3225 8.3225 8.3225 8.3225 8.9167 8.9167 8.9167 8.9167 9.4775 9.4775 9.4775 9.4775 10.6641 10.6641 10.6641 10.6641 10.6844 10.6844 10.6844 10.6844 12.0366 12.0366 12.0366 12.0366 12.5179 12.5179 12.5179 12.5179 12.5530 12.5530 12.5530 12.5530 12.8925 12.8925 12.8925 12.8925 12.9759 12.9759 12.9759 12.9759 14.9078 14.9078 14.9078 14.9078 k = 0.1444 0.0834 0.4027 ( 2558 PWs) bands (ev): 2.0857 2.0857 2.0857 2.0857 8.2586 8.2586 8.2586 8.2586 8.9326 8.9326 8.9326 8.9326 9.4917 9.4917 9.4917 9.4917 10.6706 10.6706 10.6706 10.6706 10.6926 10.6926 10.6926 10.6926 12.0305 12.0305 12.0305 12.0305 12.4954 12.4954 12.4954 12.4954 12.5306 12.5306 12.5306 12.5306 12.8834 12.8834 12.8834 12.8834 12.9712 12.9712 12.9712 12.9712 14.8697 14.8697 14.8697 14.8697 k = 0.1556 0.0898 0.4027 ( 2558 PWs) bands (ev): 2.1180 2.1180 2.1180 2.1180 8.1931 8.1931 8.1931 8.1931 8.9497 8.9497 8.9497 8.9497 9.5042 9.5042 9.5042 9.5042 10.6775 10.6775 10.6775 10.6775 10.7009 10.7009 10.7009 10.7009 12.0227 12.0227 12.0227 12.0227 12.4727 12.4727 12.4727 12.4727 12.5079 12.5079 12.5079 12.5079 12.8743 12.8743 12.8743 12.8743 12.9650 12.9650 12.9650 12.9650 14.8239 14.8239 14.8239 14.8239 k = 0.1667 0.0962 0.4027 ( 2556 PWs) bands (ev): 2.1524 2.1524 2.1524 2.1524 8.1260 8.1260 8.1260 8.1260 8.9678 8.9678 8.9678 8.9678 9.5152 9.5152 9.5152 9.5152 10.6849 10.6849 10.6849 10.6849 10.7093 10.7093 10.7093 10.7093 12.0129 12.0129 12.0129 12.0129 12.4498 12.4498 12.4498 12.4498 12.4852 12.4852 12.4852 12.4852 12.8653 12.8653 12.8653 12.8653 12.9573 12.9573 12.9573 12.9573 14.7706 14.7706 14.7706 14.7706 k = 0.1778 0.1026 0.4027 ( 2556 PWs) bands (ev): 2.1889 2.1889 2.1889 2.1889 8.0575 8.0575 8.0575 8.0575 8.9869 8.9869 8.9869 8.9869 9.5244 9.5244 9.5244 9.5244 10.6925 10.6925 10.6925 10.6925 10.7175 10.7175 10.7175 10.7175 12.0010 12.0010 12.0010 12.0010 12.4269 12.4269 12.4269 12.4269 12.4626 12.4626 12.4626 12.4626 12.8566 12.8566 12.8566 12.8566 12.9478 12.9478 12.9478 12.9478 14.7108 14.7108 14.7108 14.7108 k = 0.1889 0.1091 0.4027 ( 2548 PWs) bands (ev): 2.2274 2.2274 2.2274 2.2274 7.9878 7.9878 7.9878 7.9878 9.0071 9.0071 9.0071 9.0071 9.5321 9.5321 9.5321 9.5321 10.7006 10.7006 10.7006 10.7006 10.7256 10.7256 10.7256 10.7256 11.9870 11.9870 11.9870 11.9870 12.4039 12.4039 12.4039 12.4039 12.4406 12.4406 12.4406 12.4406 12.8482 12.8482 12.8482 12.8482 12.9368 12.9368 12.9368 12.9368 14.6457 14.6457 14.6457 14.6457 k = 0.2000 0.1155 0.4027 ( 2556 PWs) bands (ev): 2.2677 2.2677 2.2677 2.2677 7.9168 7.9168 7.9168 7.9168 9.0281 9.0281 9.0281 9.0281 9.5381 9.5381 9.5381 9.5381 10.7090 10.7090 10.7090 10.7090 10.7332 10.7332 10.7332 10.7332 11.9709 11.9709 11.9709 11.9709 12.3809 12.3809 12.3809 12.3809 12.4196 12.4196 12.4196 12.4196 12.8403 12.8403 12.8403 12.8403 12.9239 12.9239 12.9239 12.9239 14.5764 14.5764 14.5764 14.5764 k = 0.2111 0.1219 0.4027 ( 2552 PWs) bands (ev): 2.3099 2.3099 2.3099 2.3099 7.8449 7.8449 7.8449 7.8449 9.0500 9.0500 9.0500 9.0500 9.5425 9.5425 9.5425 9.5425 10.7176 10.7176 10.7176 10.7176 10.7406 10.7406 10.7406 10.7406 11.9526 11.9526 11.9526 11.9526 12.3576 12.3576 12.3576 12.3576 12.4000 12.4000 12.4000 12.4000 12.8330 12.8330 12.8330 12.8330 12.9094 12.9094 12.9094 12.9094 14.5045 14.5045 14.5045 14.5045 k = 0.2222 0.1283 0.4027 ( 2556 PWs) bands (ev): 2.3539 2.3539 2.3539 2.3539 7.7721 7.7721 7.7721 7.7721 9.0727 9.0727 9.0727 9.0727 9.5453 9.5453 9.5453 9.5453 10.7265 10.7265 10.7265 10.7265 10.7474 10.7474 10.7474 10.7474 11.9325 11.9325 11.9325 11.9325 12.3338 12.3338 12.3338 12.3338 12.3821 12.3821 12.3821 12.3821 12.8263 12.8263 12.8263 12.8263 12.8933 12.8933 12.8933 12.8933 14.4311 14.4311 14.4311 14.4311 k = 0.2333 0.1347 0.4027 ( 2556 PWs) bands (ev): 2.3994 2.3994 2.3994 2.3994 7.6986 7.6986 7.6986 7.6986 9.0962 9.0962 9.0962 9.0962 9.5466 9.5466 9.5466 9.5466 10.7355 10.7355 10.7355 10.7355 10.7537 10.7537 10.7537 10.7537 11.9106 11.9106 11.9106 11.9106 12.3097 12.3097 12.3097 12.3097 12.3662 12.3662 12.3662 12.3662 12.8199 12.8199 12.8199 12.8199 12.8759 12.8759 12.8759 12.8759 14.3572 14.3572 14.3572 14.3572 k = 0.2444 0.1411 0.4027 ( 2556 PWs) bands (ev): 2.4465 2.4465 2.4465 2.4465 7.6244 7.6244 7.6244 7.6244 9.1202 9.1202 9.1202 9.1202 9.5465 9.5465 9.5465 9.5465 10.7444 10.7444 10.7444 10.7444 10.7596 10.7596 10.7596 10.7596 11.8873 11.8873 11.8873 11.8873 12.2852 12.2852 12.2852 12.2852 12.3524 12.3524 12.3524 12.3524 12.8136 12.8136 12.8136 12.8136 12.8576 12.8576 12.8576 12.8576 14.2837 14.2837 14.2837 14.2837 k = 0.2556 0.1475 0.4027 ( 2556 PWs) bands (ev): 2.4949 2.4949 2.4949 2.4949 7.5498 7.5498 7.5498 7.5498 9.1449 9.1449 9.1449 9.1449 9.5449 9.5449 9.5449 9.5449 10.7530 10.7530 10.7530 10.7530 10.7652 10.7652 10.7652 10.7652 11.8629 11.8629 11.8629 11.8629 12.2605 12.2605 12.2605 12.2605 12.3408 12.3408 12.3408 12.3408 12.8060 12.8060 12.8060 12.8060 12.8398 12.8398 12.8398 12.8398 14.2111 14.2111 14.2111 14.2111 k = 0.2667 0.1540 0.4027 ( 2560 PWs) bands (ev): 2.5445 2.5445 2.5445 2.5445 7.4748 7.4748 7.4748 7.4748 9.1700 9.1700 9.1700 9.1700 9.5420 9.5420 9.5420 9.5420 10.7603 10.7603 10.7603 10.7603 10.7713 10.7713 10.7713 10.7713 11.8375 11.8375 11.8375 11.8375 12.2358 12.2358 12.2358 12.2358 12.3313 12.3313 12.3313 12.3313 12.7938 12.7938 12.7938 12.7938 12.8258 12.8258 12.8258 12.8258 14.1401 14.1401 14.1401 14.1401 k = 0.2778 0.1604 0.4027 ( 2556 PWs) bands (ev): 2.5952 2.5952 2.5952 2.5952 7.3998 7.3998 7.3998 7.3998 9.1954 9.1954 9.1954 9.1954 9.5380 9.5380 9.5380 9.5380 10.7655 10.7655 10.7655 10.7655 10.7789 10.7789 10.7789 10.7789 11.8117 11.8117 11.8117 11.8117 12.2112 12.2112 12.2112 12.2112 12.3241 12.3241 12.3241 12.3241 12.7752 12.7752 12.7752 12.7752 12.8178 12.8178 12.8178 12.8178 14.0708 14.0708 14.0708 14.0708 k = 0.2889 0.1668 0.4027 ( 2560 PWs) bands (ev): 2.6468 2.6468 2.6468 2.6468 7.3248 7.3248 7.3248 7.3248 9.2211 9.2211 9.2211 9.2211 9.5328 9.5328 9.5328 9.5328 10.7684 10.7684 10.7684 10.7684 10.7877 10.7877 10.7877 10.7877 11.7856 11.7856 11.7856 11.7856 12.1868 12.1868 12.1868 12.1868 12.3189 12.3189 12.3189 12.3189 12.7522 12.7522 12.7522 12.7522 12.8136 12.8136 12.8136 12.8136 14.0036 14.0036 14.0036 14.0036 k = 0.3000 0.1732 0.4027 ( 2556 PWs) bands (ev): 2.6991 2.6991 2.6991 2.6991 7.2500 7.2500 7.2500 7.2500 9.2470 9.2470 9.2470 9.2470 9.5267 9.5267 9.5267 9.5267 10.7701 10.7701 10.7701 10.7701 10.7970 10.7970 10.7970 10.7970 11.7596 11.7596 11.7596 11.7596 12.1627 12.1627 12.1627 12.1627 12.3160 12.3160 12.3160 12.3160 12.7270 12.7270 12.7270 12.7270 12.8114 12.8114 12.8114 12.8114 13.9387 13.9387 13.9387 13.9387 k = 0.3111 0.1796 0.4027 ( 2552 PWs) bands (ev): 2.7519 2.7519 2.7519 2.7519 7.1758 7.1758 7.1758 7.1758 9.2729 9.2729 9.2729 9.2729 9.5196 9.5196 9.5196 9.5196 10.7708 10.7708 10.7708 10.7708 10.8065 10.8065 10.8065 10.8065 11.7339 11.7339 11.7339 11.7339 12.1390 12.1390 12.1390 12.1390 12.3152 12.3152 12.3152 12.3152 12.7006 12.7006 12.7006 12.7006 12.8101 12.8101 12.8101 12.8101 13.8761 13.8761 13.8761 13.8761 k = 0.3222 0.1860 0.4027 ( 2556 PWs) bands (ev): 2.8048 2.8048 2.8048 2.8048 7.1024 7.1024 7.1024 7.1024 9.2986 9.2986 9.2986 9.2986 9.5119 9.5119 9.5119 9.5119 10.7706 10.7706 10.7706 10.7706 10.8158 10.8158 10.8158 10.8158 11.7088 11.7088 11.7088 11.7088 12.1158 12.1158 12.1158 12.1158 12.3165 12.3165 12.3165 12.3165 12.6734 12.6734 12.6734 12.6734 12.8095 12.8095 12.8095 12.8095 13.8159 13.8159 13.8159 13.8159 k = 0.3333 0.1925 0.4027 ( 2552 PWs) bands (ev): 2.8577 2.8577 2.8577 2.8577 7.0300 7.0300 7.0300 7.0300 9.3240 9.3240 9.3240 9.3240 9.5035 9.5035 9.5035 9.5035 10.7697 10.7697 10.7697 10.7697 10.8250 10.8250 10.8250 10.8250 11.6845 11.6845 11.6845 11.6845 12.0934 12.0934 12.0934 12.0934 12.3198 12.3198 12.3198 12.3198 12.6459 12.6459 12.6459 12.6459 12.8096 12.8096 12.8096 12.8096 13.7582 13.7582 13.7582 13.7582 k = 0.3444 0.1989 0.4027 ( 2556 PWs) bands (ev): 2.9103 2.9103 2.9103 2.9103 6.9591 6.9591 6.9591 6.9591 9.3488 9.3488 9.3488 9.3488 9.4948 9.4948 9.4948 9.4948 10.7682 10.7682 10.7682 10.7682 10.8340 10.8340 10.8340 10.8340 11.6611 11.6611 11.6611 11.6611 12.0718 12.0718 12.0718 12.0718 12.3250 12.3250 12.3250 12.3250 12.6183 12.6183 12.6183 12.6183 12.8099 12.8099 12.8099 12.8099 13.7030 13.7030 13.7030 13.7030 k = 0.3556 0.2053 0.4027 ( 2552 PWs) bands (ev): 2.9621 2.9621 2.9621 2.9621 6.8898 6.8898 6.8898 6.8898 9.3730 9.3730 9.3730 9.3730 9.4860 9.4860 9.4860 9.4860 10.7663 10.7663 10.7663 10.7663 10.8426 10.8426 10.8426 10.8426 11.6389 11.6389 11.6389 11.6389 12.0511 12.0511 12.0511 12.0511 12.3320 12.3320 12.3320 12.3320 12.5910 12.5910 12.5910 12.5910 12.8105 12.8105 12.8105 12.8105 13.6504 13.6504 13.6504 13.6504 k = 0.3667 0.2117 0.4027 ( 2556 PWs) bands (ev): 3.0130 3.0130 3.0130 3.0130 6.8227 6.8227 6.8227 6.8227 9.3959 9.3959 9.3959 9.3959 9.4774 9.4774 9.4774 9.4774 10.7639 10.7639 10.7639 10.7639 10.8508 10.8508 10.8508 10.8508 11.6179 11.6179 11.6179 11.6179 12.0314 12.0314 12.0314 12.0314 12.3405 12.3405 12.3405 12.3405 12.5643 12.5643 12.5643 12.5643 12.8113 12.8113 12.8113 12.8113 13.6003 13.6003 13.6003 13.6003 k = 0.3778 0.2181 0.4027 ( 2556 PWs) bands (ev): 3.0624 3.0624 3.0624 3.0624 6.7582 6.7582 6.7582 6.7582 9.4170 9.4170 9.4170 9.4170 9.4699 9.4699 9.4699 9.4699 10.7613 10.7613 10.7613 10.7613 10.8585 10.8585 10.8585 10.8585 11.5983 11.5983 11.5983 11.5983 12.0128 12.0128 12.0128 12.0128 12.3502 12.3502 12.3502 12.3502 12.5386 12.5386 12.5386 12.5386 12.8122 12.8122 12.8122 12.8122 13.5529 13.5529 13.5529 13.5529 k = 0.3889 0.2245 0.4027 ( 2560 PWs) bands (ev): 3.1099 3.1099 3.1099 3.1099 6.6967 6.6967 6.6967 6.6967 9.4332 9.4332 9.4332 9.4332 9.4662 9.4662 9.4662 9.4662 10.7586 10.7586 10.7586 10.7586 10.8657 10.8657 10.8657 10.8657 11.5802 11.5802 11.5802 11.5802 11.9955 11.9955 11.9955 11.9955 12.3608 12.3608 12.3608 12.3608 12.5141 12.5141 12.5141 12.5141 12.8132 12.8132 12.8132 12.8132 13.5084 13.5084 13.5084 13.5084 k = 0.4000 0.2309 0.4027 ( 2556 PWs) bands (ev): 3.1551 3.1551 3.1551 3.1551 6.6388 6.6388 6.6388 6.6388 9.4378 9.4378 9.4378 9.4378 9.4732 9.4732 9.4732 9.4732 10.7559 10.7559 10.7559 10.7559 10.8723 10.8723 10.8723 10.8723 11.5636 11.5636 11.5636 11.5636 11.9796 11.9796 11.9796 11.9796 12.3719 12.3719 12.3719 12.3719 12.4915 12.4915 12.4915 12.4915 12.8142 12.8142 12.8142 12.8142 13.4667 13.4667 13.4667 13.4667 k = 0.4111 0.2374 0.4027 ( 2556 PWs) bands (ev): 3.1975 3.1975 3.1975 3.1975 6.5848 6.5848 6.5848 6.5848 9.4334 9.4334 9.4334 9.4334 9.4880 9.4880 9.4880 9.4880 10.7532 10.7532 10.7532 10.7532 10.8782 10.8782 10.8782 10.8782 11.5487 11.5487 11.5487 11.5487 11.9651 11.9651 11.9651 11.9651 12.3827 12.3827 12.3827 12.3827 12.4712 12.4712 12.4712 12.4712 12.8152 12.8152 12.8152 12.8152 13.4282 13.4282 13.4282 13.4282 k = 0.4222 0.2438 0.4027 ( 2564 PWs) bands (ev): 3.2366 3.2366 3.2366 3.2366 6.5355 6.5355 6.5355 6.5355 9.4271 9.4271 9.4271 9.4271 9.5038 9.5038 9.5038 9.5038 10.7505 10.7505 10.7505 10.7505 10.8835 10.8835 10.8835 10.8835 11.5354 11.5354 11.5354 11.5354 11.9522 11.9522 11.9522 11.9522 12.3917 12.3917 12.3917 12.3917 12.4545 12.4545 12.4545 12.4545 12.8161 12.8161 12.8161 12.8161 13.3930 13.3930 13.3930 13.3930 k = 0.4333 0.2502 0.4027 ( 2564 PWs) bands (ev): 3.2718 3.2718 3.2718 3.2718 6.4913 6.4913 6.4913 6.4913 9.4208 9.4208 9.4208 9.4208 9.5186 9.5186 9.5186 9.5186 10.7481 10.7481 10.7481 10.7481 10.8881 10.8881 10.8881 10.8881 11.5239 11.5239 11.5239 11.5239 11.9409 11.9409 11.9409 11.9409 12.3965 12.3965 12.3965 12.3965 12.4439 12.4439 12.4439 12.4439 12.8169 12.8169 12.8169 12.8169 13.3614 13.3614 13.3614 13.3614 k = 0.4444 0.2566 0.4027 ( 2556 PWs) bands (ev): 3.3027 3.3027 3.3027 3.3027 6.4527 6.4527 6.4527 6.4527 9.4150 9.4150 9.4150 9.4150 9.5316 9.5316 9.5316 9.5316 10.7461 10.7461 10.7461 10.7461 10.8922 10.8922 10.8922 10.8922 11.5141 11.5141 11.5141 11.5141 11.9312 11.9312 11.9312 11.9312 12.3941 12.3941 12.3941 12.3941 12.4422 12.4422 12.4422 12.4422 12.8178 12.8178 12.8178 12.8178 13.3339 13.3339 13.3339 13.3339 k = 0.4556 0.2630 0.4027 ( 2552 PWs) bands (ev): 3.3288 3.3288 3.3288 3.3288 6.4204 6.4204 6.4204 6.4204 9.4101 9.4101 9.4101 9.4101 9.5426 9.5426 9.5426 9.5426 10.7443 10.7443 10.7443 10.7443 10.8954 10.8954 10.8954 10.8954 11.5060 11.5060 11.5060 11.5060 11.9233 11.9233 11.9233 11.9233 12.3869 12.3869 12.3869 12.3869 12.4466 12.4466 12.4466 12.4466 12.8184 12.8184 12.8184 12.8184 13.3106 13.3106 13.3106 13.3106 k = 0.4667 0.2694 0.4027 ( 2556 PWs) bands (ev): 3.3496 3.3496 3.3496 3.3496 6.3946 6.3946 6.3946 6.3946 9.4061 9.4061 9.4061 9.4061 9.5514 9.5514 9.5514 9.5514 10.7427 10.7427 10.7427 10.7427 10.8978 10.8978 10.8978 10.8978 11.4997 11.4997 11.4997 11.4997 11.9171 11.9171 11.9171 11.9171 12.3792 12.3792 12.3792 12.3792 12.4525 12.4525 12.4525 12.4525 12.8189 12.8189 12.8189 12.8189 13.2920 13.2920 13.2920 13.2920 k = 0.4778 0.2758 0.4027 ( 2552 PWs) bands (ev): 3.3647 3.3647 3.3647 3.3647 6.3760 6.3760 6.3760 6.3760 9.4032 9.4032 9.4032 9.4032 9.5577 9.5577 9.5577 9.5577 10.7417 10.7417 10.7417 10.7417 10.8997 10.8997 10.8997 10.8997 11.4952 11.4952 11.4952 11.4952 11.9127 11.9127 11.9127 11.9127 12.3729 12.3729 12.3729 12.3729 12.4577 12.4577 12.4577 12.4577 12.8193 12.8193 12.8193 12.8193 13.2785 13.2785 13.2785 13.2785 k = 0.4889 0.2823 0.4027 ( 2560 PWs) bands (ev): 3.3739 3.3739 3.3739 3.3739 6.3646 6.3646 6.3646 6.3646 9.4014 9.4014 9.4014 9.4014 9.5615 9.5615 9.5615 9.5615 10.7410 10.7410 10.7410 10.7410 10.9007 10.9007 10.9007 10.9007 11.4924 11.4924 11.4924 11.4924 11.9100 11.9100 11.9100 11.9100 12.3689 12.3689 12.3689 12.3689 12.4611 12.4611 12.4611 12.4611 12.8193 12.8193 12.8193 12.8193 13.2702 13.2702 13.2702 13.2702 k = 0.5000 0.2887 0.4027 ( 2556 PWs) bands (ev): 3.3770 3.3770 3.3770 3.3770 6.3608 6.3608 6.3608 6.3608 9.4009 9.4009 9.4009 9.4009 9.5628 9.5628 9.5628 9.5628 10.7408 10.7408 10.7408 10.7408 10.9011 10.9011 10.9011 10.9011 11.4916 11.4916 11.4916 11.4916 11.9091 11.9091 11.9091 11.9091 12.3676 12.3676 12.3676 12.3676 12.4623 12.4623 12.4623 12.4623 12.8195 12.8195 12.8195 12.8195 13.2675 13.2675 13.2675 13.2675 k = 0.5000 0.2887 0.4027 ( 2556 PWs) bands (ev): 3.3770 3.3770 3.3770 3.3770 6.3608 6.3608 6.3608 6.3608 9.4009 9.4009 9.4009 9.4009 9.5628 9.5628 9.5628 9.5628 10.7408 10.7408 10.7408 10.7408 10.9011 10.9011 10.9011 10.9011 11.4916 11.4916 11.4916 11.4916 11.9091 11.9091 11.9091 11.9091 12.3676 12.3676 12.3676 12.3676 12.4623 12.4623 12.4623 12.4623 12.8195 12.8195 12.8195 12.8195 13.2675 13.2675 13.2675 13.2675 k = 0.4936 0.2998 0.4027 ( 2550 PWs) bands (ev): 3.3775 3.3775 3.3777 3.3777 6.3620 6.3620 6.3624 6.3624 9.3849 9.3849 9.3942 9.3942 9.5647 9.5647 9.5740 9.5740 10.7412 10.7412 10.7434 10.7434 10.9004 10.9004 10.9032 10.9032 11.4895 11.4895 11.4907 11.4907 11.9094 11.9094 11.9112 11.9112 12.3615 12.3615 12.3687 12.3687 12.4623 12.4623 12.4681 12.4681 12.8181 12.8181 12.8203 12.8203 13.2672 13.2672 13.2683 13.2683 k = 0.4872 0.3109 0.4027 ( 2550 PWs) bands (ev): 3.3792 3.3792 3.3796 3.3796 6.3657 6.3657 6.3665 6.3665 9.3519 9.3519 9.3667 9.3667 9.5776 9.5776 9.5923 9.5923 10.7444 10.7444 10.7489 10.7489 10.9013 10.9013 10.9069 10.9069 11.4845 11.4845 11.4869 11.4869 11.9121 11.9121 11.9156 11.9156 12.3519 12.3519 12.3646 12.3646 12.4679 12.4679 12.4779 12.4779 12.8158 12.8158 12.8201 12.8201 13.2674 13.2674 13.2697 13.2697 k = 0.4808 0.3220 0.4027 ( 2554 PWs) bands (ev): 3.3821 3.3821 3.3826 3.3826 6.3720 6.3720 6.3732 6.3732 9.3078 9.3078 9.3252 9.3252 9.5951 9.5951 9.6124 9.6124 10.7501 10.7501 10.7570 10.7570 10.9037 10.9037 10.9121 10.9121 11.4769 11.4769 11.4806 11.4806 11.9166 11.9166 11.9220 11.9220 12.3406 12.3406 12.3569 12.3569 12.4778 12.4778 12.4901 12.4901 12.8127 12.8127 12.8191 12.8191 13.2681 13.2681 13.2715 13.2715 k = 0.4744 0.3331 0.4027 ( 2558 PWs) bands (ev): 3.3861 3.3861 3.3868 3.3868 6.3809 6.3809 6.3825 6.3825 9.2556 9.2556 9.2743 9.2743 9.6134 9.6134 9.6317 9.6317 10.7577 10.7577 10.7672 10.7672 10.9075 10.9075 10.9189 10.9189 11.4672 11.4672 11.4722 11.4722 11.9224 11.9224 11.9299 11.9299 12.3292 12.3292 12.3476 12.3476 12.4900 12.4900 12.5037 12.5037 12.8088 12.8088 12.8173 12.8173 13.2692 13.2692 13.2737 13.2737 k = 0.4679 0.3442 0.4027 ( 2562 PWs) bands (ev): 3.3913 3.3913 3.3922 3.3922 6.3923 6.3923 6.3943 6.3943 9.1970 9.1970 9.2162 9.2162 9.6307 9.6307 9.6494 9.6494 10.7668 10.7668 10.7789 10.7789 10.9130 10.9130 10.9274 10.9274 11.4560 11.4560 11.4623 11.4623 11.9289 11.9289 11.9386 11.9386 12.3184 12.3184 12.3380 12.3380 12.5034 12.5034 12.5178 12.5178 12.8041 12.8041 12.8148 12.8148 13.2705 13.2705 13.2760 13.2760 k = 0.4615 0.3553 0.4027 ( 2558 PWs) bands (ev): 3.3975 3.3975 3.3986 3.3986 6.4062 6.4062 6.4087 6.4087 9.1330 9.1330 9.1525 9.1525 9.6465 9.6465 9.6652 9.6652 10.7766 10.7766 10.7913 10.7913 10.9199 10.9199 10.9373 10.9373 11.4436 11.4436 11.4514 11.4514 11.9354 11.9354 11.9477 11.9477 12.3089 12.3089 12.3292 12.3292 12.5173 12.5173 12.5323 12.5323 12.7988 12.7988 12.8117 12.8117 13.2721 13.2721 13.2786 13.2786 k = 0.4551 0.3664 0.4027 ( 2554 PWs) bands (ev): 3.4048 3.4048 3.4060 3.4060 6.4225 6.4225 6.4255 6.4255 9.0643 9.0643 9.0838 9.0838 9.6608 9.6608 9.6794 9.6794 10.7867 10.7867 10.8039 10.8039 10.9284 10.9284 10.9483 10.9483 11.4308 11.4308 11.4403 11.4403 11.9410 11.9410 11.9563 11.9563 12.3015 12.3015 12.3217 12.3217 12.5313 12.5313 12.5467 12.5467 12.7930 12.7930 12.8081 12.8081 13.2738 13.2738 13.2812 13.2812 k = 0.4487 0.3775 0.4027 ( 2554 PWs) bands (ev): 3.4131 3.4131 3.4145 3.4145 6.4412 6.4412 6.4448 6.4448 8.9915 8.9915 9.0111 9.0111 9.6737 9.6737 9.6920 9.6920 10.7966 10.7966 10.8162 10.8162 10.9380 10.9380 10.9602 10.9602 11.4180 11.4180 11.4295 11.4295 11.9451 11.9451 11.9639 11.9639 12.2967 12.2967 12.3163 12.3163 12.5450 12.5450 12.5609 12.5609 12.7868 12.7868 12.8041 12.8041 13.2753 13.2753 13.2834 13.2834 k = 0.4423 0.3886 0.4027 ( 2554 PWs) bands (ev): 3.4222 3.4222 3.4238 3.4238 6.4623 6.4623 6.4663 6.4663 8.9152 8.9152 8.9349 8.9349 9.6852 9.6852 9.7033 9.7033 10.8062 10.8062 10.8277 10.8277 10.9485 10.9485 10.9725 10.9725 11.4056 11.4056 11.4194 11.4194 11.9471 11.9471 11.9698 11.9698 12.2947 12.2947 12.3133 12.3133 12.5581 12.5581 12.5746 12.5746 12.7804 12.7804 12.7999 12.7999 13.2764 13.2764 13.2852 13.2852 k = 0.4359 0.3997 0.4027 ( 2554 PWs) bands (ev): 3.4322 3.4322 3.4339 3.4339 6.4855 6.4855 6.4901 6.4901 8.8361 8.8361 8.8558 8.8558 9.6957 9.6957 9.7135 9.7135 10.8152 10.8152 10.8385 10.8385 10.9594 10.9594 10.9846 10.9846 11.3942 11.3942 11.4106 11.4106 11.9467 11.9467 11.9737 11.9737 12.2959 12.2959 12.3131 12.3131 12.5705 12.5705 12.5875 12.5875 12.7741 12.7741 12.7957 12.7957 13.2768 13.2768 13.2863 13.2863 k = 0.4295 0.4108 0.4027 ( 2554 PWs) bands (ev): 3.4429 3.4429 3.4448 3.4448 6.5107 6.5107 6.5160 6.5160 8.7548 8.7548 8.7747 8.7747 9.7053 9.7053 9.7228 9.7228 10.8236 10.8236 10.8484 10.8484 10.9702 10.9702 10.9961 10.9961 11.3840 11.3840 11.4035 11.4035 11.9438 11.9438 11.9754 11.9754 12.3002 12.3002 12.3157 12.3157 12.5820 12.5820 12.5993 12.5993 12.7685 12.7685 12.7919 12.7919 13.2763 13.2763 13.2864 13.2864 k = 0.4231 0.4219 0.4027 ( 2558 PWs) bands (ev): 3.4543 3.4543 3.4563 3.4563 6.5379 6.5379 6.5439 6.5439 8.6720 8.6720 8.6921 8.6921 9.7141 9.7141 9.7313 9.7313 10.8313 10.8313 10.8575 10.8575 10.9803 10.9803 11.0066 11.0066 11.3752 11.3752 11.3983 11.3983 11.9385 11.9385 11.9749 11.9749 12.3074 12.3074 12.3210 12.3210 12.5923 12.5923 12.6094 12.6094 12.7642 12.7642 12.7888 12.7888 13.2745 13.2745 13.2851 13.2851 k = 0.4167 0.4330 0.4027 ( 2556 PWs) bands (ev): 3.4662 3.4662 3.4683 3.4683 6.5668 6.5668 6.5736 6.5736 8.5883 8.5883 8.6087 8.6087 9.7221 9.7221 9.7391 9.7391 10.8384 10.8384 10.8660 10.8660 10.9895 10.9895 11.0157 11.0157 11.3683 11.3683 11.3952 11.3952 11.9311 11.9311 11.9722 11.9722 12.3172 12.3172 12.3290 12.3290 12.6011 12.6011 12.6173 12.6173 12.7619 12.7619 12.7870 12.7870 13.2712 13.2712 13.2822 13.2822 k = 0.4103 0.4441 0.4027 ( 2548 PWs) bands (ev): 3.4784 3.4784 3.4807 3.4807 6.5973 6.5973 6.6049 6.6049 8.5044 8.5044 8.5253 8.5253 9.7296 9.7296 9.7464 9.7464 10.8451 10.8451 10.8738 10.8738 10.9975 10.9975 11.0233 11.0233 11.3631 11.3631 11.3942 11.3942 11.9221 11.9221 11.9679 11.9679 12.3290 12.3290 12.3390 12.3390 12.6082 12.6082 12.6222 12.6222 12.7627 12.7627 12.7870 12.7870 13.2659 13.2659 13.2774 13.2774 k = 0.4038 0.4552 0.4027 ( 2548 PWs) bands (ev): 3.4909 3.4909 3.4934 3.4934 6.6290 6.6290 6.6375 6.6375 8.4210 8.4210 8.4424 8.4424 9.7365 9.7365 9.7531 9.7531 10.8509 10.8509 10.8809 10.8809 11.0039 11.0039 11.0293 11.0293 11.3596 11.3596 11.3952 11.3952 11.9117 11.9117 11.9621 11.9621 12.3423 12.3423 12.3504 12.3504 12.6133 12.6133 12.6236 12.6236 12.7672 12.7672 12.7893 12.7893 13.2583 13.2583 13.2703 13.2703 k = 0.3974 0.4663 0.4027 ( 2548 PWs) bands (ev): 3.5035 3.5035 3.5061 3.5061 6.6616 6.6616 6.6711 6.6711 8.3389 8.3389 8.3610 8.3610 9.7429 9.7429 9.7593 9.7593 10.8561 10.8561 10.8874 10.8874 11.0091 11.0091 11.0340 11.0340 11.3576 11.3576 11.3979 11.3979 11.9005 11.9005 11.9554 11.9554 12.3565 12.3565 12.3627 12.3627 12.6163 12.6163 12.6217 12.6217 12.7756 12.7756 12.7944 12.7944 13.2482 13.2482 13.2606 13.2606 k = 0.3910 0.4774 0.4027 ( 2556 PWs) bands (ev): 3.5159 3.5159 3.5186 3.5186 6.6946 6.6946 6.7054 6.7054 8.2589 8.2589 8.2819 8.2819 9.7487 9.7487 9.7650 9.7650 10.8606 10.8606 10.8932 10.8932 11.0129 11.0129 11.0375 11.0375 11.3569 11.3569 11.4019 11.4019 11.8888 11.8888 11.9481 11.9481 12.3711 12.3711 12.3753 12.3753 12.6169 12.6169 12.6174 12.6174 12.7876 12.7876 12.8023 12.8023 13.2353 13.2353 13.2480 13.2480 k = 0.3846 0.4885 0.4027 ( 2552 PWs) bands (ev): 3.5281 3.5281 3.5309 3.5309 6.7277 6.7277 6.7397 6.7397 8.1820 8.1820 8.2060 8.2060 9.7541 9.7541 9.7702 9.7702 10.8645 10.8645 10.8984 10.8984 11.0160 11.0160 11.0402 11.0402 11.3573 11.3573 11.4069 11.4069 11.8772 11.8772 11.9406 11.9406 12.3858 12.3858 12.3878 12.3878 12.6101 12.6101 12.6170 12.6170 12.8028 12.8028 12.8133 12.8133 13.2194 13.2194 13.2326 13.2326 k = 0.3782 0.4996 0.4027 ( 2552 PWs) bands (ev): 3.5398 3.5398 3.5427 3.5427 6.7601 6.7601 6.7736 6.7736 8.1093 8.1093 8.1344 8.1344 9.7589 9.7589 9.7749 9.7749 10.8676 10.8676 10.9027 10.9027 11.0182 11.0182 11.0423 11.0423 11.3584 11.3584 11.4124 11.4124 11.8657 11.8657 11.9331 11.9331 12.3995 12.3995 12.4000 12.4000 12.6022 12.6022 12.6155 12.6155 12.8208 12.8208 12.8273 12.8273 13.2005 13.2005 13.2142 13.2142 k = 0.3718 0.5107 0.4027 ( 2548 PWs) bands (ev): 3.5507 3.5507 3.5538 3.5538 6.7911 6.7911 6.8061 6.8061 8.0418 8.0418 8.0682 8.0682 9.7632 9.7632 9.7791 9.7791 10.8701 10.8701 10.9063 10.9063 11.0200 11.0200 11.0440 11.0440 11.3598 11.3598 11.4180 11.4180 11.8550 11.8550 11.9260 11.9260 12.4101 12.4101 12.4134 12.4134 12.5938 12.5938 12.6135 12.6135 12.8412 12.8412 12.8442 12.8442 13.1788 13.1788 13.1929 13.1929 k = 0.3654 0.5218 0.4027 ( 2548 PWs) bands (ev): 3.5607 3.5607 3.5639 3.5639 6.8197 6.8197 6.8363 6.8363 7.9810 7.9810 8.0088 8.0088 9.7669 9.7669 9.7828 9.7828 10.8719 10.8719 10.9091 10.9091 11.0215 11.0215 11.0454 11.0454 11.3614 11.3614 11.4234 11.4234 11.8451 11.8451 11.9196 11.9196 12.4191 12.4191 12.4256 12.4256 12.5854 12.5854 12.6113 12.6113 12.8635 12.8635 12.8636 12.8636 13.1545 13.1545 13.1690 13.1690 k = 0.3590 0.5329 0.4027 ( 2548 PWs) bands (ev): 3.5695 3.5695 3.5727 3.5727 6.8449 6.8449 6.8632 6.8632 7.9283 7.9283 7.9576 7.9576 9.7700 9.7700 9.7859 9.7859 10.8733 10.8733 10.9113 10.9113 11.0228 11.0228 11.0467 11.0467 11.3629 11.3629 11.4282 11.4282 11.8365 11.8365 11.9139 11.9139 12.4264 12.4264 12.4361 12.4361 12.5777 12.5777 12.6093 12.6093 12.8852 12.8852 12.8877 12.8877 13.1280 13.1280 13.1429 13.1429 k = 0.3526 0.5440 0.4027 ( 2556 PWs) bands (ev): 3.5768 3.5768 3.5801 3.5801 6.8657 6.8657 6.8855 6.8855 7.8854 7.8854 7.9160 7.9160 9.7724 9.7724 9.7883 9.7883 10.8742 10.8742 10.9128 10.9128 11.0239 11.0239 11.0478 11.0478 11.3642 11.3642 11.4322 11.4322 11.8292 11.8292 11.9091 11.9091 12.4317 12.4317 12.4444 12.4444 12.5713 12.5713 12.6079 12.6079 12.9089 12.9089 12.9132 12.9132 13.0998 13.0998 13.1152 13.1152 k = 0.3462 0.5551 0.4027 ( 2556 PWs) bands (ev): 3.5824 3.5824 3.5857 3.5857 6.8811 6.8811 6.9021 6.9021 7.8536 7.8536 7.8854 7.8854 9.7742 9.7742 9.7901 9.7901 10.8748 10.8748 10.9139 10.9139 11.0248 11.0248 11.0486 11.0486 11.3651 11.3651 11.4351 11.4351 11.8238 11.8238 11.9055 11.9055 12.4352 12.4352 12.4504 12.4504 12.5666 12.5666 12.6071 12.6071 12.9340 12.9340 12.9392 12.9392 13.0711 13.0711 13.0871 13.0871 k = 0.3397 0.5662 0.4027 ( 2548 PWs) bands (ev): 3.5860 3.5860 3.5893 3.5893 6.8904 6.8904 6.9122 6.9122 7.8342 7.8342 7.8668 7.8668 9.7754 9.7754 9.7912 9.7912 10.8752 10.8752 10.9145 10.9145 11.0255 11.0255 11.0493 11.0493 11.3657 11.3657 11.4370 11.4370 11.8205 11.8205 11.9033 11.9033 12.4371 12.4371 12.4540 12.4540 12.5638 12.5638 12.6068 12.6068 12.9583 12.9583 12.9633 12.9633 13.0444 13.0444 13.0617 13.0617 k = 0.3333 0.5774 0.4027 ( 2544 PWs) bands (ev): 3.5872 3.5872 3.5905 3.5905 6.8934 6.8934 6.9155 6.9155 7.8278 7.8278 7.8606 7.8606 9.7758 9.7758 9.7916 9.7916 10.8753 10.8753 10.9147 10.9147 11.0257 11.0257 11.0496 11.0496 11.3659 11.3659 11.4376 11.4376 11.8193 11.8193 11.9026 11.9026 12.4377 12.4377 12.4551 12.4551 12.5630 12.5630 12.6067 12.6067 12.9718 12.9718 12.9754 12.9754 13.0300 13.0300 13.0489 13.0489 k = 0.3333 0.5774 0.4027 ( 2544 PWs) bands (ev): 3.5872 3.5872 3.5905 3.5905 6.8934 6.8934 6.9155 6.9155 7.8278 7.8278 7.8606 7.8606 9.7758 9.7758 9.7916 9.7916 10.8753 10.8753 10.9147 10.9147 11.0257 11.0257 11.0496 11.0496 11.3659 11.3659 11.4376 11.4376 11.8193 11.8193 11.9026 11.9026 12.4377 12.4377 12.4551 12.4551 12.5630 12.5630 12.6067 12.6067 12.9718 12.9718 12.9754 12.9754 13.0300 13.0300 13.0489 13.0489 k = 0.3269 0.5662 0.4027 ( 2548 PWs) bands (ev): 3.5859 3.5859 3.5892 3.5892 6.8907 6.8907 6.9125 6.9125 7.8340 7.8340 7.8666 7.8666 9.7754 9.7754 9.7912 9.7912 10.8752 10.8752 10.9145 10.9145 11.0254 11.0254 11.0493 11.0493 11.3657 11.3657 11.4370 11.4370 11.8205 11.8205 11.9034 11.9034 12.4372 12.4372 12.4541 12.4541 12.5637 12.5637 12.6067 12.6067 12.9577 12.9577 12.9627 12.9627 13.0451 13.0451 13.0624 13.0624 k = 0.3205 0.5551 0.4027 ( 2550 PWs) bands (ev): 3.5817 3.5817 3.5850 3.5850 6.8832 6.8832 6.9043 6.9043 7.8521 7.8521 7.8840 7.8840 9.7742 9.7742 9.7900 9.7900 10.8748 10.8748 10.9139 10.9139 11.0246 11.0246 11.0485 11.0485 11.3653 11.3653 11.4354 11.4354 11.8242 11.8242 11.9059 11.9059 12.4360 12.4360 12.4518 12.4518 12.5654 12.5654 12.6063 12.6063 12.9312 12.9313 12.9363 12.9363 13.0750 13.0750 13.0910 13.0910 k = 0.3141 0.5440 0.4027 ( 2550 PWs) bands (ev): 3.5745 3.5745 3.5777 3.5777 6.8725 6.8725 6.8925 6.8925 7.8806 7.8806 7.9115 7.9115 9.7722 9.7722 9.7880 9.7880 10.8742 10.8742 10.9128 10.9128 11.0232 11.0232 11.0470 11.0470 11.3649 11.3649 11.4329 11.4329 11.8305 11.8305 11.9103 11.9103 12.4343 12.4343 12.4484 12.4484 12.5677 12.5677 12.6054 12.6054 12.9029 12.9029 12.9066 12.9066 13.1095 13.1095 13.1251 13.1251 k = 0.3077 0.5329 0.4027 ( 2550 PWs) bands (ev): 3.5640 3.5640 3.5672 3.5672 6.8602 6.8602 6.8790 6.8790 7.9178 7.9178 7.9476 7.9476 9.7694 9.7694 9.7852 9.7852 10.8733 10.8733 10.9112 10.9112 11.0212 11.0212 11.0449 11.0449 11.3647 11.3647 11.4299 11.4299 11.8393 11.8393 11.9167 11.9167 12.4322 12.4322 12.4446 12.4446 12.5700 12.5700 12.6034 12.6034 12.8754 12.8754 12.8765 12.8765 13.1465 13.1465 13.1619 13.1619 k = 0.3013 0.5218 0.4027 ( 2542 PWs) bands (ev): 3.5501 3.5501 3.5532 3.5532 6.8479 6.8479 6.8653 6.8653 7.9622 7.9622 7.9908 7.9908 9.7657 9.7657 9.7816 9.7816 10.8719 10.8719 10.9089 10.9089 11.0185 11.0185 11.0421 11.0421 11.3649 11.3649 11.4268 11.4268 11.8505 11.8505 11.9249 11.9249 12.4297 12.4297 12.4405 12.4405 12.5720 12.5720 12.6003 12.6003 12.8475 12.8475 12.8500 12.8500 13.1853 13.1853 13.2007 13.2007 k = 0.2949 0.5107 0.4027 ( 2546 PWs) bands (ev): 3.5327 3.5327 3.5357 3.5357 6.8368 6.8368 6.8529 6.8529 8.0123 8.0123 8.0398 8.0398 9.7612 9.7612 9.7771 9.7771 10.8700 10.8700 10.9058 10.9058 11.0150 11.0150 11.0383 11.0383 11.3658 11.3658 11.4239 11.4239 11.8640 11.8640 11.9351 11.9351 12.4268 12.4268 12.4362 12.4362 12.5731 12.5731 12.5957 12.5957 12.8202 12.8202 12.8273 12.8273 13.2257 13.2257 13.2409 13.2409 k = 0.2885 0.4996 0.4027 ( 2550 PWs) bands (ev): 3.5116 3.5116 3.5145 3.5145 6.8281 6.8281 6.8429 6.8429 8.0669 8.0669 8.0933 8.0933 9.7559 9.7559 9.7717 9.7717 10.8674 10.8674 10.9018 10.9018 11.0107 11.0107 11.0336 11.0336 11.3678 11.3678 11.4218 11.4218 11.8797 11.8797 11.9473 11.9473 12.4233 12.4233 12.4316 12.4316 12.5732 12.5732 12.5897 12.5897 12.7955 12.7955 12.8080 12.8080 13.2674 13.2674 13.2825 13.2825 k = 0.2821 0.4885 0.4027 ( 2546 PWs) bands (ev): 3.4870 3.4870 3.4897 3.4897 6.8226 6.8226 6.8362 6.8362 8.1248 8.1248 8.1502 8.1502 9.7498 9.7498 9.7655 9.7655 10.8641 10.8641 10.8969 10.8969 11.0055 11.0055 11.0279 11.0279 11.3713 11.3713 11.4211 11.4211 11.8974 11.8974 11.9613 11.9613 12.4188 12.4188 12.4266 12.4266 12.5720 12.5720 12.5824 12.5824 12.7741 12.7741 12.7925 12.7925 13.3105 13.3105 13.3255 13.3255 k = 0.2756 0.4774 0.4027 ( 2548 PWs) bands (ev): 3.4587 3.4587 3.4613 3.4613 6.8211 6.8211 6.8336 6.8336 8.1852 8.1852 8.2098 8.2098 9.7428 9.7428 9.7585 9.7585 10.8601 10.8601 10.8911 10.8911 10.9995 10.9995 11.0213 11.0213 11.3765 11.3765 11.4219 11.4219 11.9169 11.9169 11.9769 11.9769 12.4130 12.4130 12.4208 12.4208 12.5697 12.5697 12.5746 12.5746 12.7565 12.7565 12.7807 12.7807 13.3548 13.3548 13.3697 13.3697 k = 0.2692 0.4663 0.4027 ( 2548 PWs) bands (ev): 3.4270 3.4270 3.4295 3.4295 6.8238 6.8238 6.8353 6.8353 8.2473 8.2473 8.2712 8.2712 9.7350 9.7350 9.7507 9.7507 10.8553 10.8553 10.8843 10.8843 10.9924 10.9924 11.0135 11.0135 11.3837 11.3837 11.4249 11.4249 11.9379 11.9379 11.9942 11.9942 12.4055 12.4055 12.4139 12.4139 12.5664 12.5664 12.5672 12.5672 12.7430 12.7430 12.7724 12.7724 13.4004 13.4004 13.4152 13.4152 k = 0.2628 0.4552 0.4027 ( 2548 PWs) bands (ev): 3.3919 3.3919 3.3943 3.3943 6.8311 6.8311 6.8417 6.8417 8.3104 8.3104 8.3336 8.3336 9.7265 9.7265 9.7421 9.7421 10.8497 10.8497 10.8768 10.8768 10.9843 10.9843 11.0047 11.0047 11.3931 11.3931 11.4302 11.4302 11.9603 11.9603 12.0128 12.0128 12.3959 12.3959 12.4056 12.4056 12.5611 12.5611 12.5628 12.5628 12.7335 12.7335 12.7671 12.7671 13.4473 13.4473 13.4619 13.4619 k = 0.2564 0.4441 0.4027 ( 2548 PWs) bands (ev): 3.3538 3.3538 3.3560 3.3560 6.8432 6.8432 6.8529 6.8529 8.3739 8.3739 8.3965 8.3965 9.7173 9.7173 9.7328 9.7328 10.8435 10.8435 10.8687 10.8687 10.9752 10.9752 10.9948 10.9948 11.4049 11.4049 11.4381 11.4381 11.9839 11.9839 12.0326 12.0326 12.3842 12.3842 12.3957 12.3957 12.5569 12.5569 12.5596 12.5596 12.7277 12.7277 12.7645 12.7645 13.4955 13.4955 13.5099 13.5099 k = 0.2500 0.4330 0.4027 ( 2552 PWs) bands (ev): 3.3127 3.3127 3.3148 3.3148 6.8599 6.8599 6.8689 6.8689 8.4371 8.4371 8.4592 8.4592 9.7074 9.7074 9.7228 9.7228 10.8367 10.8367 10.8600 10.8600 10.9653 10.9653 10.9839 10.9839 11.4190 11.4190 11.4486 11.4486 12.0084 12.0084 12.0533 12.0533 12.3708 12.3708 12.3841 12.3841 12.5552 12.5552 12.5575 12.5575 12.7250 12.7250 12.7640 12.7640 13.5450 13.5450 13.5593 13.5593 k = 0.2436 0.4219 0.4027 ( 2552 PWs) bands (ev): 3.2691 3.2691 3.2709 3.2709 6.8814 6.8814 6.8896 6.8896 8.4995 8.4995 8.5211 8.5211 9.6970 9.6970 9.7123 9.7123 10.8296 10.8296 10.8509 10.8509 10.9545 10.9545 10.9722 10.9722 11.4356 11.4356 11.4618 11.4618 12.0336 12.0336 12.0746 12.0746 12.3561 12.3561 12.3711 12.3711 12.5558 12.5558 12.5571 12.5571 12.7250 12.7250 12.7653 12.7653 13.5960 13.5960 13.6102 13.6102 k = 0.2372 0.4108 0.4027 ( 2556 PWs) bands (ev): 3.2230 3.2230 3.2248 3.2248 6.9073 6.9073 6.9150 6.9150 8.5605 8.5605 8.5817 8.5817 9.6862 9.6862 9.7013 9.7013 10.8221 10.8221 10.8417 10.8417 10.9430 10.9430 10.9597 10.9597 11.4544 11.4544 11.4776 11.4776 12.0593 12.0593 12.0964 12.0964 12.3409 12.3409 12.3571 12.3571 12.5586 12.5586 12.5586 12.5586 12.7270 12.7270 12.7681 12.7681 13.6485 13.6485 13.6626 13.6626 k = 0.2308 0.3997 0.4027 ( 2560 PWs) bands (ev): 3.1750 3.1750 3.1766 3.1766 6.9376 6.9376 6.9447 6.9447 8.6196 8.6196 8.6404 8.6404 9.6749 9.6749 9.6899 9.6899 10.8147 10.8147 10.8325 10.8325 10.9310 10.9310 10.9467 10.9467 11.4753 11.4753 11.4958 11.4958 12.0852 12.0852 12.1181 12.1181 12.3259 12.3259 12.3426 12.3426 12.5621 12.5621 12.5634 12.5634 12.7306 12.7306 12.7721 12.7721 13.7027 13.7027 13.7166 13.7166 k = 0.2244 0.3886 0.4027 ( 2552 PWs) bands (ev): 3.1253 3.1253 3.1267 3.1267 6.9721 6.9721 6.9786 6.9786 8.6762 8.6762 8.6967 8.6967 9.6636 9.6636 9.6783 9.6783 10.8073 10.8073 10.8236 10.8236 10.9187 10.9187 10.9333 10.9333 11.4982 11.4982 11.5163 11.5163 12.1112 12.1112 12.1396 12.1396 12.3120 12.3120 12.3284 12.3284 12.5674 12.5674 12.5701 12.5701 12.7358 12.7358 12.7774 12.7774 13.7587 13.7587 13.7726 13.7726 k = 0.2179 0.3775 0.4027 ( 2556 PWs) bands (ev): 3.0741 3.0741 3.0754 3.0754 7.0104 7.0104 7.0164 7.0164 8.7299 8.7299 8.7499 8.7499 9.6522 9.6522 9.6665 9.6665 10.8000 10.8000 10.8148 10.8148 10.9061 10.9061 10.9195 10.9195 11.5229 11.5229 11.5388 11.5388 12.1369 12.1369 12.1600 12.1600 12.2997 12.2997 12.3149 12.3149 12.5744 12.5744 12.5783 12.5783 12.7421 12.7421 12.7837 12.7837 13.8165 13.8165 13.8304 13.8304 k = 0.2115 0.3664 0.4027 ( 2556 PWs) bands (ev): 3.0218 3.0218 3.0230 3.0230 7.0523 7.0523 7.0579 7.0579 8.7801 8.7801 8.7996 8.7996 9.6409 9.6409 9.6548 9.6548 10.7932 10.7932 10.8065 10.8065 10.8934 10.8934 10.9057 10.9057 11.5492 11.5492 11.5631 11.5631 12.1621 12.1621 12.1789 12.1789 12.2902 12.2902 12.3027 12.3027 12.5829 12.5829 12.5879 12.5879 12.7496 12.7496 12.7909 12.7909 13.8764 13.8764 13.8904 13.8904 k = 0.2051 0.3553 0.4027 ( 2558 PWs) bands (ev): 2.9686 2.9686 2.9697 2.9697 7.0976 7.0976 7.1028 7.1028 8.8263 8.8263 8.8453 8.8453 9.6299 9.6299 9.6434 9.6434 10.7867 10.7867 10.7987 10.7987 10.8806 10.8806 10.8918 10.8918 11.5769 11.5769 11.5890 11.5890 12.1864 12.1864 12.1949 12.1949 12.2846 12.2846 12.2922 12.2922 12.5927 12.5927 12.5987 12.5987 12.7580 12.7580 12.7990 12.7990 13.9385 13.9385 13.9527 13.9527 k = 0.1987 0.3442 0.4027 ( 2558 PWs) bands (ev): 2.9150 2.9150 2.9160 2.9160 7.1460 7.1460 7.1509 7.1509 8.8681 8.8681 8.8864 8.8864 9.6195 9.6195 9.6324 9.6324 10.7807 10.7807 10.7914 10.7914 10.8680 10.8680 10.8779 10.8779 11.6057 11.6057 11.6163 11.6163 12.2069 12.2069 12.2094 12.2094 12.2842 12.2842 12.2845 12.2845 12.6039 12.6039 12.6107 12.6107 12.7674 12.7674 12.8080 12.8080 14.0029 14.0029 14.0175 14.0175 k = 0.1923 0.3331 0.4027 ( 2562 PWs) bands (ev): 2.8610 2.8610 2.8619 2.8619 7.1972 7.1972 7.2017 7.2017 8.9052 8.9052 8.9227 8.9227 9.6098 9.6098 9.6220 9.6220 10.7752 10.7752 10.7846 10.7846 10.8555 10.8555 10.8642 10.8642 11.6355 11.6355 11.6446 11.6446 12.2142 12.2142 12.2300 12.2300 12.2797 12.2797 12.2904 12.2904 12.6160 12.6160 12.6236 12.6236 12.7775 12.7775 12.8176 12.8176 14.0697 14.0697 14.0851 14.0851 k = 0.1859 0.3220 0.4027 ( 2558 PWs) bands (ev): 2.8071 2.8071 2.8078 2.8078 7.2510 7.2510 7.2552 7.2552 8.9372 8.9372 8.9538 8.9538 9.6011 9.6011 9.6125 9.6125 10.7701 10.7701 10.7782 10.7782 10.8434 10.8434 10.8508 10.8508 11.6660 11.6660 11.6739 11.6739 12.2184 12.2184 12.2457 12.2457 12.2815 12.2815 12.3011 12.3011 12.6292 12.6292 12.6375 12.6375 12.7885 12.7885 12.8280 12.8280 14.1391 14.1391 14.1556 14.1556 k = 0.1795 0.3109 0.4027 ( 2558 PWs) bands (ev): 2.7533 2.7533 2.7540 2.7540 7.3070 7.3070 7.3109 7.3109 8.9639 8.9639 8.9795 8.9795 9.5934 9.5934 9.6039 9.6039 10.7655 10.7655 10.7722 10.7722 10.8316 10.8316 10.8376 10.8376 11.6969 11.6969 11.7037 11.7037 12.2216 12.2216 12.2539 12.2539 12.2922 12.2922 12.3143 12.3143 12.6433 12.6433 12.6521 12.6521 12.8003 12.8003 12.8389 12.8389 14.2106 14.2106 14.2293 14.2293 k = 0.1731 0.2998 0.4027 ( 2554 PWs) bands (ev): 2.6999 2.6999 2.7006 2.7006 7.3651 7.3651 7.3688 7.3688 8.9852 8.9852 8.9997 8.9997 9.5867 9.5867 9.5962 9.5962 10.7611 10.7611 10.7664 10.7664 10.8202 10.8202 10.8248 10.8248 11.7280 11.7280 11.7337 11.7337 12.2256 12.2256 12.2581 12.2581 12.3083 12.3083 12.3287 12.3287 12.6581 12.6581 12.6674 12.6674 12.8127 12.8127 12.8504 12.8504 14.2834 14.2834 14.3061 14.3061 k = 0.1667 0.2887 0.4027 ( 2552 PWs) bands (ev): 2.6472 2.6472 2.6478 2.6478 7.4250 7.4250 7.4284 7.4284 9.0013 9.0013 9.0146 9.0146 9.5811 9.5811 9.5895 9.5895 10.7568 10.7568 10.7606 10.7606 10.8093 10.8093 10.8123 10.8123 11.7590 11.7590 11.7638 11.7638 12.2313 12.2313 12.2628 12.2628 12.3257 12.3257 12.3432 12.3432 12.6735 12.6735 12.6831 12.6831 12.8256 12.8256 12.8622 12.8622 14.3547 14.3547 14.3860 14.3860 k = 0.1603 0.2776 0.4027 ( 2552 PWs) bands (ev): 2.5953 2.5953 2.5958 2.5958 7.4865 7.4865 7.4896 7.4896 9.0124 9.0124 9.0244 9.0244 9.5764 9.5764 9.5837 9.5837 10.7524 10.7524 10.7547 10.7547 10.7989 10.7989 10.8003 10.8003 11.7895 11.7895 11.7935 11.7935 12.2390 12.2390 12.2691 12.2691 12.3430 12.3430 12.3576 12.3576 12.6893 12.6893 12.6993 12.6993 12.8390 12.8390 12.8742 12.8742 14.4177 14.4177 14.4641 14.4641 k = 0.1538 0.2665 0.4027 ( 2548 PWs) bands (ev): 2.5444 2.5444 2.5448 2.5448 7.5492 7.5492 7.5522 7.5522 9.0188 9.0188 9.0295 9.0295 9.5723 9.5723 9.5785 9.5785 10.7479 10.7479 10.7484 10.7484 10.7888 10.7888 10.7891 10.7891 11.8195 11.8195 11.8227 11.8227 12.2492 12.2492 12.2779 12.2779 12.3598 12.3598 12.3718 12.3718 12.7055 12.7055 12.7155 12.7155 12.8525 12.8525 12.8864 12.8864 14.4692 14.4692 14.5116 14.5116 k = 0.1474 0.2554 0.4027 ( 2548 PWs) bands (ev): 2.4946 2.4946 2.4949 2.4949 7.6131 7.6131 7.6159 7.6159 9.0210 9.0210 9.0304 9.0304 9.5686 9.5686 9.5737 9.5737 10.7418 10.7418 10.7429 10.7429 10.7778 10.7778 10.7798 10.7798 11.8483 11.8483 11.8509 11.8509 12.2618 12.2618 12.2889 12.2889 12.3761 12.3761 12.3857 12.3857 12.7218 12.7218 12.7319 12.7319 12.8662 12.8662 12.8984 12.8984 14.5145 14.5145 14.5501 14.5501 k = 0.1410 0.2443 0.4027 ( 2552 PWs) bands (ev): 2.4460 2.4460 2.4464 2.4464 7.6778 7.6778 7.6804 7.6804 9.0194 9.0194 9.0277 9.0277 9.5648 9.5648 9.5691 9.5691 10.7347 10.7347 10.7374 10.7374 10.7673 10.7673 10.7710 10.7710 11.8758 11.8758 11.8778 11.8778 12.2767 12.2767 12.3023 12.3023 12.3920 12.3920 12.3996 12.3996 12.7382 12.7382 12.7482 12.7482 12.8798 12.8798 12.9101 12.9101 14.5577 14.5577 14.5887 14.5887 k = 0.1346 0.2332 0.4027 ( 2560 PWs) bands (ev): 2.3989 2.3989 2.3992 2.3992 7.7432 7.7432 7.7456 7.7456 9.0147 9.0147 9.0219 9.0219 9.5609 9.5609 9.5642 9.5642 10.7272 10.7272 10.7313 10.7313 10.7574 10.7574 10.7624 10.7624 11.9017 11.9017 11.9031 11.9031 12.2938 12.2938 12.3179 12.3179 12.4076 12.4076 12.4136 12.4136 12.7545 12.7545 12.7643 12.7643 12.8930 12.8930 12.9215 12.9215 14.6004 14.6004 14.6278 14.6278 k = 0.1282 0.2221 0.4027 ( 2562 PWs) bands (ev): 2.3533 2.3533 2.3536 2.3536 7.8090 7.8090 7.8112 7.8112 9.0075 9.0075 9.0137 9.0137 9.5563 9.5563 9.5590 9.5590 10.7195 10.7195 10.7246 10.7246 10.7481 10.7481 10.7541 10.7541 11.9257 11.9257 11.9266 11.9266 12.3130 12.3130 12.3356 12.3356 12.4233 12.4233 12.4278 12.4278 12.7707 12.7707 12.7802 12.7802 12.9058 12.9058 12.9322 12.9322 14.6429 14.6429 14.6672 14.6672 k = 0.1218 0.2110 0.4027 ( 2562 PWs) bands (ev): 2.3094 2.3094 2.3096 2.3096 7.8751 7.8751 7.8772 7.8772 8.9982 8.9982 9.0035 9.0035 9.5510 9.5510 9.5531 9.5531 10.7117 10.7117 10.7174 10.7174 10.7393 10.7393 10.7458 10.7458 11.9476 11.9476 11.9481 11.9481 12.3340 12.3340 12.3551 12.3551 12.4392 12.4392 12.4426 12.4426 12.7866 12.7866 12.7957 12.7957 12.9179 12.9179 12.9422 12.9422 14.6850 14.6850 14.7065 14.7065 k = 0.1154 0.1999 0.4027 ( 2566 PWs) bands (ev): 2.2672 2.2672 2.2674 2.2674 7.9413 7.9413 7.9432 7.9432 8.9872 8.9872 8.9918 8.9918 9.5447 9.5447 9.5462 9.5462 10.7038 10.7038 10.7098 10.7098 10.7308 10.7308 10.7375 10.7375 11.9673 11.9673 11.9675 11.9675 12.3565 12.3565 12.3761 12.3761 12.4553 12.4553 12.4578 12.4578 12.8022 12.8022 12.8108 12.8108 12.9292 12.9292 12.9514 12.9514 14.7264 14.7264 14.7452 14.7452 k = 0.1090 0.1887 0.4027 ( 2566 PWs) bands (ev): 2.2269 2.2269 2.2270 2.2270 8.0072 8.0072 8.0090 8.0090 8.9751 8.9751 8.9790 8.9790 9.5371 9.5371 9.5382 9.5382 10.6961 10.6961 10.7020 10.7020 10.7225 10.7225 10.7291 10.7291 11.9845 11.9845 11.9846 11.9846 12.3803 12.3803 12.3984 12.3984 12.4719 12.4719 12.4737 12.4737 12.8174 12.8174 12.8255 12.8255 12.9395 12.9395 12.9596 12.9596 14.7666 14.7666 14.7829 14.7829 k = 0.1026 0.1776 0.4027 ( 2568 PWs) bands (ev): 2.1884 2.1884 2.1886 2.1886 8.0728 8.0728 8.0744 8.0744 8.9622 8.9622 8.9655 8.9655 9.5283 9.5283 9.5291 9.5291 10.6886 10.6886 10.6943 10.6943 10.7142 10.7142 10.7205 10.7205 11.9992 11.9992 11.9994 11.9994 12.4051 12.4051 12.4217 12.4217 12.4889 12.4889 12.4904 12.4904 12.8321 12.8321 12.8395 12.8395 12.9488 12.9488 12.9666 12.9666 14.8050 14.8050 14.8189 14.8189 k = 0.0962 0.1665 0.4027 ( 2564 PWs) bands (ev): 2.1520 2.1520 2.1521 2.1521 8.1379 8.1379 8.1394 8.1394 8.9490 8.9490 8.9518 8.9518 9.5180 9.5180 9.5186 9.5186 10.6814 10.6814 10.6867 10.6867 10.7061 10.7061 10.7120 10.7120 12.0116 12.0116 12.0119 12.0119 12.4304 12.4304 12.4455 12.4455 12.5066 12.5066 12.5077 12.5077 12.8462 12.8462 12.8529 12.8529 12.9568 12.9568 12.9726 12.9726 14.8410 14.8410 14.8528 14.8528 k = 0.0897 0.1554 0.4027 ( 2570 PWs) bands (ev): 2.1176 2.1176 2.1177 2.1177 8.2021 8.2021 8.2035 8.2035 8.9354 8.9354 8.9378 8.9378 9.5063 9.5063 9.5067 9.5067 10.6745 10.6745 10.6794 10.6794 10.6979 10.6979 10.7033 10.7033 12.0217 12.0217 12.0221 12.0221 12.4561 12.4561 12.4696 12.4696 12.5247 12.5247 12.5256 12.5256 12.8597 12.8597 12.8656 12.8656 12.9637 12.9637 12.9774 12.9774 14.8740 14.8740 14.8838 14.8838 k = 0.0833 0.1443 0.4027 ( 2574 PWs) bands (ev): 2.0854 2.0854 2.0855 2.0855 8.2654 8.2654 8.2666 8.2666 8.9220 8.9220 8.9241 8.9241 9.4931 9.4931 9.4934 9.4934 10.6679 10.6679 10.6724 10.6724 10.6898 10.6898 10.6947 10.6947 12.0298 12.0298 12.0302 12.0302 12.4817 12.4817 12.4936 12.4936 12.5432 12.5432 12.5439 12.5439 12.8724 12.8724 12.8776 12.8776 12.9692 12.9692 12.9811 12.9811 14.9036 14.9036 14.9115 14.9115 k = 0.0769 0.1332 0.4027 ( 2570 PWs) bands (ev): 2.0553 2.0553 2.0554 2.0554 8.3274 8.3274 8.3286 8.3286 8.9090 8.9090 8.9107 8.9107 9.4785 9.4785 9.4786 9.4786 10.6617 10.6617 10.6658 10.6658 10.6819 10.6819 10.6863 10.6863 12.0360 12.0360 12.0364 12.0364 12.5070 12.5070 12.5173 12.5173 12.5621 12.5621 12.5626 12.5626 12.8844 12.8844 12.8888 12.8888 12.9737 12.9737 12.9837 12.9837 14.9293 14.9293 14.9356 14.9356 k = 0.0705 0.1221 0.4027 ( 2566 PWs) bands (ev): 2.0275 2.0275 2.0275 2.0275 8.3880 8.3880 8.3890 8.3890 8.8965 8.8965 8.8979 8.8979 9.4623 9.4623 9.4624 9.4624 10.6560 10.6560 10.6596 10.6596 10.6743 10.6743 10.6782 10.6782 12.0406 12.0406 12.0410 12.0410 12.5316 12.5316 12.5402 12.5402 12.5811 12.5811 12.5815 12.5815 12.8955 12.8955 12.8992 12.8992 12.9769 12.9769 12.9852 12.9852 14.9509 14.9509 14.9558 14.9558 k = 0.0641 0.1110 0.4027 ( 2558 PWs) bands (ev): 2.0020 2.0020 2.0020 2.0020 8.4468 8.4468 8.4477 8.4477 8.8846 8.8846 8.8858 8.8858 9.4449 9.4449 9.4449 9.4449 10.6506 10.6506 10.6538 10.6538 10.6671 10.6671 10.6704 10.6704 12.0439 12.0439 12.0442 12.0442 12.5552 12.5552 12.5622 12.5622 12.6001 12.6001 12.6002 12.6002 12.9057 12.9057 12.9087 12.9087 12.9791 12.9791 12.9858 12.9858 14.9685 14.9685 14.9722 14.9722 k = 0.0577 0.0999 0.4027 ( 2558 PWs) bands (ev): 1.9787 1.9787 1.9787 1.9787 8.5035 8.5035 8.5043 8.5043 8.8735 8.8735 8.8746 8.8746 9.4261 9.4261 9.4261 9.4261 10.6457 10.6457 10.6484 10.6484 10.6602 10.6602 10.6631 10.6631 12.0459 12.0459 12.0461 12.0461 12.5775 12.5775 12.5829 12.5829 12.6186 12.6186 12.6187 12.6187 12.9149 12.9149 12.9172 12.9172 12.9803 12.9803 12.9856 12.9856 14.9822 14.9822 14.9849 14.9849 k = 0.0513 0.0888 0.4027 ( 2566 PWs) bands (ev): 1.9578 1.9578 1.9578 1.9578 8.5577 8.5577 8.5584 8.5584 8.8634 8.8634 8.8642 8.8642 9.4062 9.4062 9.4063 9.4063 10.6412 10.6412 10.6434 10.6434 10.6539 10.6539 10.6562 10.6562 12.0469 12.0469 12.0471 12.0471 12.5981 12.5981 12.6020 12.6020 12.6362 12.6362 12.6365 12.6365 12.9230 12.9230 12.9247 12.9247 12.9806 12.9806 12.9847 12.9847 14.9924 14.9924 14.9943 14.9943 k = 0.0449 0.0777 0.4027 ( 2566 PWs) bands (ev): 1.9393 1.9393 1.9394 1.9394 8.6090 8.6090 8.6096 8.6096 8.8544 8.8544 8.8551 8.8551 9.3856 9.3856 9.3856 9.3856 10.6371 10.6371 10.6388 10.6388 10.6483 10.6483 10.6501 10.6501 12.0474 12.0474 12.0475 12.0475 12.6169 12.6169 12.6196 12.6196 12.6530 12.6530 12.6533 12.6533 12.9299 12.9299 12.9311 12.9311 12.9805 12.9805 12.9834 12.9834 14.9996 14.9996 15.0009 15.0009 k = 0.0385 0.0666 0.4027 ( 2558 PWs) bands (ev): 1.9233 1.9233 1.9233 1.9233 8.6569 8.6569 8.6574 8.6574 8.8465 8.8465 8.8471 8.8471 9.3646 9.3646 9.3646 9.3646 10.6335 10.6335 10.6347 10.6347 10.6435 10.6435 10.6448 10.6448 12.0474 12.0474 12.0475 12.0475 12.6337 12.6337 12.6355 12.6355 12.6685 12.6685 12.6688 12.6688 12.9355 12.9355 12.9363 12.9363 12.9799 12.9799 12.9819 12.9819 15.0044 15.0044 15.0052 15.0052 k = 0.0321 0.0555 0.4027 ( 2558 PWs) bands (ev): 1.9096 1.9096 1.9096 1.9096 8.7002 8.7002 8.7007 8.7007 8.8401 8.8401 8.8406 8.8406 9.3438 9.3438 9.3438 9.3438 10.6304 10.6304 10.6312 10.6312 10.6395 10.6395 10.6403 10.6403 12.0471 12.0471 12.0471 12.0471 12.6484 12.6484 12.6494 12.6494 12.6823 12.6823 12.6826 12.6826 12.9398 12.9398 12.9403 12.9403 12.9793 12.9793 12.9805 12.9805 15.0073 15.0073 15.0078 15.0078 k = 0.0256 0.0444 0.4027 ( 2546 PWs) bands (ev): 1.8984 1.8984 1.8984 1.8984 8.7381 8.7381 8.7384 8.7384 8.8355 8.8355 8.8358 8.8358 9.3239 9.3239 9.3239 9.3239 10.6277 10.6277 10.6282 10.6282 10.6363 10.6363 10.6367 10.6367 12.0466 12.0466 12.0466 12.0466 12.6610 12.6610 12.6614 12.6614 12.6942 12.6942 12.6944 12.6944 12.9428 12.9428 12.9430 12.9430 12.9788 12.9788 12.9795 12.9795 15.0088 15.0088 15.0091 15.0091 k = 0.0192 0.0333 0.4027 ( 2550 PWs) bands (ev): 1.8897 1.8897 1.8897 1.8897 8.7687 8.7687 8.7689 8.7689 8.8331 8.8331 8.8333 8.8333 9.3061 9.3061 9.3061 9.3061 10.6255 10.6255 10.6257 10.6257 10.6337 10.6337 10.6339 10.6339 12.0461 12.0461 12.0461 12.0461 12.6708 12.6708 12.6709 12.6709 12.7037 12.7037 12.7038 12.7038 12.9445 12.9445 12.9446 12.9446 12.9785 12.9785 12.9788 12.9788 15.0095 15.0095 15.0096 15.0096 k = 0.0128 0.0222 0.4027 ( 2548 PWs) bands (ev): 1.8835 1.8835 1.8835 1.8835 8.7897 8.7897 8.7898 8.7898 8.8340 8.8340 8.8341 8.8341 9.2917 9.2917 9.2917 9.2917 10.6238 10.6238 10.6239 10.6239 10.6320 10.6320 10.6320 10.6320 12.0456 12.0456 12.0456 12.0456 12.6780 12.6780 12.6780 12.6780 12.7107 12.7107 12.7108 12.7108 12.9454 12.9454 12.9454 12.9454 12.9784 12.9784 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0064 0.0111 0.4027 ( 2540 PWs) bands (ev): 1.8797 1.8797 1.8797 1.8797 8.8000 8.8000 8.8000 8.8000 8.8377 8.8377 8.8377 8.8377 9.2823 9.2823 9.2823 9.2823 10.6228 10.6228 10.6228 10.6228 10.6309 10.6309 10.6309 10.6309 12.0453 12.0453 12.0453 12.0453 12.6825 12.6825 12.6825 12.6825 12.7151 12.7151 12.7151 12.7151 12.9457 12.9457 12.9457 12.9457 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.0000 0.0000 0.4027 ( 2540 PWs) bands (ev): 1.8785 1.8785 1.8785 1.8785 8.8026 8.8026 8.8026 8.8026 8.8399 8.8399 8.8399 8.8399 9.2790 9.2790 9.2790 9.2790 10.6224 10.6224 10.6224 10.6224 10.6306 10.6306 10.6306 10.6306 12.0452 12.0452 12.0452 12.0452 12.6839 12.6839 12.6839 12.6839 12.7166 12.7166 12.7166 12.7166 12.9458 12.9458 12.9458 12.9458 12.9785 12.9785 12.9785 12.9785 15.0097 15.0097 15.0097 15.0097 k = 0.5000 0.2887 0.4027 ( 2556 PWs) bands (ev): 3.3770 3.3770 3.3770 3.3770 6.3608 6.3608 6.3608 6.3608 9.4009 9.4009 9.4009 9.4009 9.5628 9.5628 9.5628 9.5628 10.7408 10.7408 10.7408 10.7408 10.9011 10.9011 10.9011 10.9011 11.4916 11.4916 11.4916 11.4916 11.9091 11.9091 11.9091 11.9091 12.3676 12.3676 12.3676 12.3676 12.4623 12.4623 12.4623 12.4623 12.8195 12.8195 12.8195 12.8195 13.2675 13.2675 13.2675 13.2675 k = 0.5000 0.2887 0.3902 ( 2562 PWs) bands (ev): 3.3484 3.3484 3.4036 3.4036 6.3215 6.3215 6.4054 6.4054 9.3564 9.3564 9.4457 9.4457 9.5580 9.5580 9.5685 9.5685 10.7062 10.7062 10.7747 10.7747 10.8752 10.8752 10.9275 10.9275 11.4765 11.4765 11.5063 11.5063 11.8813 11.8813 11.9345 11.9345 12.3526 12.3526 12.3835 12.3835 12.4418 12.4418 12.4830 12.4830 12.8141 12.8141 12.8243 12.8243 13.2651 13.2651 13.2702 13.2702 k = 0.5000 0.2887 0.3776 ( 2562 PWs) bands (ev): 3.3180 3.3180 3.4278 3.4278 6.2876 6.2876 6.4549 6.4549 9.3127 9.3127 9.4902 9.4902 9.5545 9.5545 9.5752 9.5752 10.6712 10.6712 10.8079 10.8079 10.8504 10.8504 10.9544 10.9544 11.4611 11.4611 11.5208 11.5208 11.8517 11.8517 11.9570 11.9570 12.3392 12.3392 12.3983 12.3983 12.4233 12.4233 12.5033 12.5033 12.8087 12.8087 12.8288 12.8288 13.2636 13.2636 13.2734 13.2734 k = 0.5000 0.2887 0.3650 ( 2562 PWs) bands (ev): 3.2861 3.2861 3.4496 3.4496 6.2591 6.2591 6.5093 6.5093 9.2701 9.2701 9.5309 9.5309 9.5549 9.5549 9.5834 9.5834 10.6359 10.6359 10.8238 10.8238 10.8428 10.8428 10.9817 10.9817 11.4454 11.4454 11.5351 11.5351 11.8206 11.8206 11.9761 11.9761 12.3281 12.3281 12.3954 12.3954 12.4233 12.4233 12.5230 12.5230 12.8028 12.8028 12.8328 12.8328 13.2631 13.2631 13.2767 13.2767 k = 0.5000 0.2887 0.3524 ( 2554 PWs) bands (ev): 3.2529 3.2529 3.4687 3.4687 6.2362 6.2362 6.5682 6.5682 9.2289 9.2289 9.5435 9.5435 9.5781 9.5781 9.5979 9.5979 10.6003 10.6003 10.8013 10.8013 10.8738 10.8738 11.0095 11.0095 11.4294 11.4294 11.5492 11.5492 11.7885 11.7885 11.9908 11.9908 12.3198 12.3198 12.3779 12.3779 12.4393 12.4393 12.5417 12.5417 12.7970 12.7970 12.8360 12.8360 13.2641 13.2641 13.2799 13.2799 k = 0.5000 0.2887 0.3398 ( 2556 PWs) bands (ev): 3.2187 3.2187 3.4850 3.4850 6.2188 6.2188 6.6315 6.6315 9.1892 9.1892 9.5430 9.5430 9.5940 9.5940 9.6337 9.6337 10.5643 10.5643 10.7788 10.7788 10.9049 10.9049 11.0375 11.0375 11.4131 11.4131 11.5630 11.5630 11.7555 11.7555 12.0008 12.0008 12.3143 12.3143 12.3603 12.3603 12.4567 12.4567 12.5589 12.5589 12.7911 12.7911 12.8384 12.8384 13.2667 13.2667 13.2828 13.2828 k = 0.5000 0.2887 0.3272 ( 2554 PWs) bands (ev): 3.1838 3.1838 3.4984 3.4984 6.2068 6.2068 6.6989 6.6989 9.1514 9.1514 9.5420 9.5420 9.6041 9.6041 9.6760 9.6760 10.5282 10.5282 10.7572 10.7572 10.9350 10.9350 11.0656 11.0656 11.3964 11.3964 11.5763 11.5763 11.7223 11.7223 12.0056 12.0056 12.3104 12.3104 12.3459 12.3459 12.4743 12.4743 12.5744 12.5744 12.7853 12.7853 12.8402 12.8402 13.2712 13.2712 13.2855 13.2855 k = 0.5000 0.2887 0.3146 ( 2554 PWs) bands (ev): 3.1485 3.1485 3.5090 3.5090 6.2002 6.2002 6.7701 6.7701 9.1156 9.1156 9.5416 9.5416 9.6139 9.6139 9.7180 9.7180 10.4917 10.4917 10.7366 10.7366 10.9642 10.9642 11.0937 11.0937 11.3794 11.3794 11.5884 11.5884 11.6899 11.6899 12.0051 12.0051 12.3039 12.3039 12.3389 12.3389 12.4917 12.4917 12.5880 12.5880 12.7797 12.7797 12.8414 12.8414 13.2776 13.2776 13.2880 13.2880 k = 0.5000 0.2887 0.3021 ( 2550 PWs) bands (ev): 3.1129 3.1129 3.5167 3.5167 6.1987 6.1987 6.8449 6.8449 9.0822 9.0822 9.5417 9.5417 9.6240 9.6240 9.7586 9.7586 10.4551 10.4551 10.7171 10.7171 10.9923 10.9923 11.1217 11.1217 11.3622 11.3622 11.5960 11.5960 11.6619 11.6619 12.0002 12.0002 12.2925 12.2925 12.3418 12.3418 12.5087 12.5087 12.5992 12.5992 12.7744 12.7744 12.8420 12.8420 13.2846 13.2846 13.2913 13.2913 k = 0.5000 0.2887 0.2895 ( 2548 PWs) bands (ev): 3.0774 3.0774 3.5215 3.5215 6.2019 6.2019 6.9229 6.9229 9.0513 9.0513 9.5424 9.5424 9.6344 9.6344 9.7973 9.7973 10.4182 10.4182 10.6989 10.6989 11.0192 11.0192 11.1495 11.1495 11.3449 11.3449 11.5880 11.5880 11.6494 11.6494 11.9915 11.9915 12.2789 12.2789 12.3509 12.3509 12.5252 12.5252 12.6077 12.6077 12.7694 12.7694 12.8422 12.8422 13.2880 13.2880 13.2999 13.2999 k = 0.5000 0.2887 0.2769 ( 2552 PWs) bands (ev): 3.0420 3.0420 3.5238 3.5238 6.2097 6.2097 7.0041 7.0041 9.0231 9.0231 9.5437 9.5437 9.6452 9.6452 9.8335 9.8335 10.3810 10.3810 10.6820 10.6820 11.0451 11.0451 11.1767 11.1767 11.3275 11.3275 11.5615 11.5615 11.6557 11.6557 11.9799 11.9799 12.2652 12.2652 12.3632 12.3632 12.5410 12.5410 12.6135 12.6135 12.7647 12.7647 12.8422 12.8422 13.2886 13.2886 13.3127 13.3127 k = 0.5000 0.2887 0.2643 ( 2558 PWs) bands (ev): 3.0071 3.0071 3.5236 3.5236 6.2214 6.2214 7.0880 7.0880 8.9979 8.9979 9.5456 9.5456 9.6561 9.6561 9.8665 9.8665 10.3436 10.3436 10.6664 10.6664 11.0699 11.0699 11.2029 11.2029 11.3103 11.3103 11.5280 11.5280 11.6691 11.6691 11.9663 11.9663 12.2524 12.2524 12.3774 12.3774 12.5559 12.5559 12.6166 12.6166 12.7604 12.7604 12.8421 12.8421 13.2879 13.2879 13.3278 13.3278 k = 0.5000 0.2887 0.2517 ( 2546 PWs) bands (ev): 2.9728 2.9728 3.5212 3.5212 6.2367 6.2367 7.1745 7.1745 8.9759 8.9759 9.5480 9.5480 9.6674 9.6674 9.8960 9.8960 10.3059 10.3059 10.6524 10.6524 11.0940 11.0940 11.2275 11.2275 11.2946 11.2946 11.4926 11.4926 11.6853 11.6853 11.9515 11.9515 12.2408 12.2408 12.3927 12.3927 12.5696 12.5696 12.6177 12.6177 12.7568 12.7568 12.8421 12.8421 13.2865 13.2865 13.3449 13.3449 k = 0.5000 0.2887 0.2391 ( 2550 PWs) bands (ev): 2.9393 2.9393 3.5169 3.5169 6.2551 6.2551 7.2633 7.2633 8.9573 8.9573 9.5508 9.5508 9.6787 9.6787 9.9212 9.9212 10.2678 10.2678 10.6399 10.6399 11.1176 11.1176 11.2453 11.2453 11.2843 11.2843 11.4565 11.4565 11.7026 11.7026 11.9361 11.9361 12.2303 12.2303 12.4080 12.4080 12.5811 12.5811 12.6177 12.6177 12.7536 12.7536 12.8422 12.8422 13.2840 13.2840 13.3634 13.3634 k = 0.5000 0.2887 0.2265 ( 2554 PWs) bands (ev): 2.9068 2.9068 3.5108 3.5108 6.2760 6.2760 7.3541 7.3541 8.9422 8.9422 9.5541 9.5541 9.6899 9.6899 9.9417 9.9417 10.2293 10.2293 10.6290 10.6290 11.1407 11.1407 11.2438 11.2438 11.2920 11.2920 11.4204 11.4204 11.7207 11.7207 11.9206 11.9206 12.2213 12.2213 12.4231 12.4231 12.5878 12.5878 12.6194 12.6194 12.7511 12.7511 12.8422 12.8422 13.2805 13.2805 13.3833 13.3833 k = 0.5000 0.2887 0.2140 ( 2558 PWs) bands (ev): 2.8753 2.8753 3.5033 3.5033 6.2989 6.2989 7.4466 7.4466 8.9308 8.9308 9.5578 9.5578 9.7012 9.7012 9.9569 9.9569 10.1904 10.1904 10.6199 10.6199 11.1639 11.1639 11.2301 11.2301 11.3093 11.3093 11.3858 11.3858 11.7391 11.7391 11.9056 11.9056 12.2137 12.2137 12.4375 12.4375 12.5877 12.5877 12.6256 12.6256 12.7493 12.7493 12.8420 12.8420 13.2760 13.2760 13.4041 13.4041 k = 0.5000 0.2887 0.2014 ( 2560 PWs) bands (ev): 2.8450 2.8450 3.4946 3.4946 6.3232 6.3232 7.5406 7.5406 8.9233 8.9233 9.5617 9.5617 9.7124 9.7124 9.9664 9.9664 10.1511 10.1511 10.6127 10.6127 11.1871 11.1871 11.2142 11.2142 11.3184 11.3184 11.3611 11.3611 11.7574 11.7574 11.8916 11.8916 12.2075 12.2075 12.4509 12.4509 12.5826 12.5826 12.6349 12.6349 12.7482 12.7482 12.8413 12.8413 13.2703 13.2703 13.4254 13.4254 k = 0.5000 0.2887 0.1888 ( 2560 PWs) bands (ev): 2.8160 2.8160 3.4851 3.4851 6.3485 6.3485 7.6359 7.6359 8.9198 8.9198 9.5659 9.5659 9.7233 9.7233 9.9698 9.9698 10.1113 10.1113 10.6072 10.6072 11.1953 11.1953 11.2134 11.2134 11.2978 11.2978 11.3655 11.3655 11.7752 11.7752 11.8790 11.8790 12.2026 12.2026 12.4631 12.4631 12.5754 12.5754 12.6451 12.6451 12.7481 12.7481 12.8403 12.8403 13.2637 13.2637 13.4471 13.4471 k = 0.5000 0.2887 0.1762 ( 2560 PWs) bands (ev): 2.7885 2.7885 3.4750 3.4750 6.3742 6.3742 7.7321 7.7321 8.9203 8.9203 9.5703 9.5703 9.7338 9.7338 9.9668 9.9668 10.0710 10.0710 10.6037 10.6037 11.1795 11.1795 11.2363 11.2363 11.2658 11.2658 11.3814 11.3814 11.7916 11.7916 11.8686 11.8686 12.1990 12.1990 12.4737 12.4737 12.5678 12.5678 12.6552 12.6552 12.7491 12.7491 12.8385 12.8385 13.2559 13.2559 13.4688 13.4688 k = 0.5000 0.2887 0.1636 ( 2560 PWs) bands (ev): 2.7625 2.7625 3.4645 3.4645 6.3998 6.3998 7.8289 7.8289 8.9250 8.9250 9.5748 9.5748 9.7439 9.7439 9.9572 9.9572 10.0303 10.0303 10.6022 10.6022 11.1634 11.1634 11.2261 11.2261 11.2668 11.2668 11.3978 11.3978 11.8056 11.8056 11.8611 11.8611 12.1966 12.1966 12.4824 12.4824 12.5610 12.5610 12.6647 12.6647 12.7511 12.7511 12.8358 12.8358 13.2469 13.2469 13.4901 13.4901 k = 0.5000 0.2887 0.1510 ( 2564 PWs) bands (ev): 2.7381 2.7381 3.4539 3.4539 6.4249 6.4249 7.9259 7.9259 8.9336 8.9336 9.5794 9.5794 9.7535 9.7535 9.9410 9.9410 9.9891 9.9891 10.6027 10.6027 11.1476 11.1476 11.1913 11.1913 11.2935 11.2935 11.4127 11.4127 11.8154 11.8154 11.8582 11.8582 12.1952 12.1952 12.4889 12.4889 12.5558 12.5558 12.6738 12.6738 12.7541 12.7541 12.8323 12.8323 13.2367 13.2367 13.5109 13.5109 k = 0.5000 0.2887 0.1384 ( 2564 PWs) bands (ev): 2.7154 2.7154 3.4433 3.4433 6.4491 6.4491 8.0228 8.0228 8.9461 8.9461 9.5838 9.5838 9.7625 9.7625 9.9181 9.9181 9.9478 9.9478 10.6053 10.6053 11.1325 11.1325 11.1560 11.1560 11.3221 11.3221 11.4258 11.4258 11.8198 11.8198 11.8604 11.8604 12.1949 12.1949 12.4932 12.4932 12.5529 12.5529 12.6822 12.6822 12.7582 12.7582 12.8278 12.8278 13.2253 13.2253 13.5307 13.5308 k = 0.5000 0.2887 0.1259 ( 2560 PWs) bands (ev): 2.6944 2.6944 3.4331 3.4331 6.4720 6.4720 8.1192 8.1192 8.9623 8.9623 9.5881 9.5881 9.7708 9.7708 9.8886 9.8886 9.9067 9.9067 10.6099 10.6099 11.1184 11.1184 11.1210 11.1210 11.3514 11.3514 11.4373 11.4373 11.8204 11.8204 11.8659 11.8659 12.1954 12.1954 12.4958 12.4958 12.5522 12.5522 12.6898 12.6898 12.7633 12.7633 12.8225 12.8225 13.2127 13.2127 13.5495 13.5495 k = 0.5000 0.2887 0.1133 ( 2556 PWs) bands (ev): 2.6753 2.6753 3.4233 3.4233 6.4934 6.4934 8.2145 8.2145 8.9819 8.9819 9.5922 9.5922 9.7783 9.7783 9.8531 9.8531 9.8659 9.8659 10.6165 10.6165 11.0866 11.0866 11.1052 11.1052 11.3806 11.3806 11.4478 11.4478 11.8197 11.8197 11.8714 11.8714 12.1966 12.1966 12.4979 12.4979 12.5530 12.5530 12.6968 12.6968 12.7692 12.7692 12.8167 12.8167 13.1991 13.1991 13.5668 13.5668 k = 0.5000 0.2887 0.1007 ( 2560 PWs) bands (ev): 2.6581 2.6581 3.4142 3.4142 6.5130 6.5130 8.3081 8.3081 9.0046 9.0046 9.5958 9.5958 9.7845 9.7845 9.8137 9.8137 9.8247 9.8247 10.6251 10.6251 11.0531 11.0531 11.0930 11.0930 11.4073 11.4073 11.4593 11.4593 11.8185 11.8185 11.8754 11.8754 12.1983 12.1983 12.5006 12.5006 12.5546 12.5546 12.7028 12.7028 12.7750 12.7750 12.8110 12.8110 13.1846 13.1846 13.5816 13.5817 k = 0.5000 0.2887 0.0881 ( 2560 PWs) bands (ev): 2.6427 2.6427 3.4058 3.4058 6.5305 6.5305 8.3993 8.3993 9.0297 9.0297 9.5988 9.5988 9.7690 9.7690 9.7821 9.7821 9.7931 9.7931 10.6354 10.6354 11.0206 11.0206 11.0820 11.0820 11.4273 11.4273 11.4763 11.4763 11.8167 11.8167 11.8777 11.8777 12.2002 12.2002 12.5044 12.5044 12.5563 12.5563 12.7079 12.7079 12.7791 12.7791 12.8074 12.8074 13.1693 13.1693 13.5841 13.5843 k = 0.5000 0.2887 0.0755 ( 2572 PWs) bands (ev): 2.6294 2.6294 3.3983 3.3983 6.5460 6.5460 8.4870 8.4870 9.0567 9.0567 9.6007 9.6007 9.7263 9.7263 9.7395 9.7395 9.7974 9.7974 10.6473 10.6473 10.9893 10.9893 11.0720 11.0720 11.4380 11.4380 11.5010 11.5010 11.8133 11.8133 11.8785 11.8785 12.2023 12.2023 12.5098 12.5098 12.5578 12.5578 12.7117 12.7117 12.7783 12.7783 12.8090 12.8090 13.1535 13.1535 13.5668 13.5668 k = 0.5000 0.2887 0.0629 ( 2568 PWs) bands (ev): 2.6180 2.6180 3.3918 3.3918 6.5592 6.5592 8.5699 8.5699 9.0846 9.0846 9.6001 9.6001 9.6832 9.6832 9.6986 9.6986 9.8018 9.8018 10.6605 10.6605 10.9598 10.9598 11.0636 11.0636 11.4431 11.4431 11.5298 11.5298 11.8075 11.8075 11.8788 11.8788 12.2045 12.2045 12.5168 12.5168 12.5590 12.5590 12.7142 12.7142 12.7734 12.7734 12.8156 12.8156 13.1379 13.1379 13.5497 13.5498 k = 0.5000 0.2887 0.0503 ( 2572 PWs) bands (ev): 2.6087 2.6087 3.3863 3.3863 6.5701 6.5701 8.6461 8.6461 9.1120 9.1120 9.5922 9.5922 9.6465 9.6465 9.6612 9.6612 9.8053 9.8053 10.6744 10.6744 10.9323 10.9323 11.0565 11.0565 11.4453 11.4453 11.5595 11.5595 11.7986 11.7986 11.8791 11.8791 12.2064 12.2064 12.5247 12.5247 12.5595 12.5595 12.7151 12.7151 12.7675 12.7675 12.8242 12.8242 13.1231 13.1231 13.5354 13.5354 k = 0.5000 0.2887 0.0378 ( 2570 PWs) bands (ev): 2.6014 2.6014 3.3820 3.3820 6.5786 6.5786 8.7128 8.7128 9.1374 9.1374 9.5681 9.5681 9.6246 9.6246 9.6321 9.6321 9.8081 9.8081 10.6884 10.6884 10.9080 10.9080 11.0512 11.0512 11.4463 11.4463 11.5878 11.5878 11.7869 11.7869 11.8796 11.8796 12.2080 12.2080 12.5332 12.5332 12.5595 12.5595 12.7143 12.7143 12.7625 12.7625 12.8329 12.8329 13.1099 13.1099 13.5242 13.5243 k = 0.5000 0.2887 0.0252 ( 2564 PWs) bands (ev): 2.5962 2.5962 3.3789 3.3789 6.5847 6.5847 8.7662 8.7662 9.1583 9.1583 9.5374 9.5374 9.6000 9.6000 9.6253 9.6253 9.8101 9.8101 10.7012 10.7012 10.8878 10.8878 11.0472 11.0472 11.4466 11.4466 11.6129 11.6129 11.7739 11.7739 11.8805 11.8805 12.2093 12.2093 12.5412 12.5412 12.5587 12.5587 12.7124 12.7124 12.7592 12.7592 12.8403 12.8403 13.0993 13.0993 13.5162 13.5162 k = 0.5000 0.2887 0.0126 ( 2560 PWs) bands (ev): 2.5931 2.5931 3.3770 3.3770 6.5884 6.5884 8.8014 8.8014 9.1724 9.1724 9.5143 9.5143 9.5826 9.5826 9.6239 9.6239 9.8114 9.8114 10.7105 10.7105 10.8742 10.8742 11.0448 11.0448 11.4467 11.4467 11.6313 11.6313 11.7626 11.7626 11.8811 11.8811 12.2101 12.2101 12.5478 12.5478 12.5570 12.5570 12.7104 12.7104 12.7574 12.7574 12.8453 12.8453 13.0925 13.0925 13.5114 13.5114 k = 0.5000 0.2887-0.0000 ( 2554 PWs) bands (ev): 2.5920 2.5920 3.3764 3.3764 6.5896 6.5896 8.8138 8.8138 9.1774 9.1774 9.5059 9.5059 9.5764 9.5764 9.6237 9.6237 9.8118 9.8118 10.7140 10.7140 10.8693 10.8693 11.0440 11.0440 11.4467 11.4467 11.6385 11.6385 11.7578 11.7578 11.8813 11.8813 12.2104 12.2104 12.5516 12.5516 12.5550 12.5550 12.7097 12.7097 12.7569 12.7569 12.8471 12.8471 13.0900 13.0900 13.5099 13.5099 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): 3.1844 3.1844 3.1884 3.1884 6.5713 6.5713 8.2906 8.2906 8.3277 8.3277 9.3905 9.3905 9.3937 9.3937 9.8174 9.8174 10.5950 10.5950 11.0380 11.0380 11.0635 11.0635 11.0674 11.0674 11.5500 11.5500 11.6341 11.6341 11.7268 11.7268 12.0121 12.0121 12.1632 12.1632 12.1755 12.1755 12.4318 12.4318 12.5385 12.5385 12.5500 12.5500 12.8174 12.8174 12.8771 12.8771 13.6230 13.6230 k = 0.3333 0.5774 0.0126 ( 2562 PWs) bands (ev): 3.1852 3.1852 3.1892 3.1892 6.5727 6.5727 8.2858 8.2858 8.3228 8.3228 9.3928 9.3928 9.3960 9.3960 9.8135 9.8135 10.5953 10.5953 11.0388 11.0388 11.0635 11.0635 11.0674 11.0674 11.5503 11.5503 11.6332 11.6332 11.7257 11.7257 12.0121 12.0121 12.1636 12.1636 12.1756 12.1756 12.4325 12.4325 12.5396 12.5396 12.5512 12.5512 12.8175 12.8175 12.8771 12.8771 13.6221 13.6221 k = 0.3333 0.5774 0.0252 ( 2562 PWs) bands (ev): 3.1877 3.1877 3.1916 3.1916 6.5767 6.5767 8.2716 8.2716 8.3083 8.3083 9.3994 9.3994 9.4030 9.4030 9.8019 9.8019 10.5963 10.5963 11.0410 11.0410 11.0636 11.0636 11.0675 11.0675 11.5512 11.5512 11.6304 11.6304 11.7226 11.7226 12.0123 12.0123 12.1648 12.1648 12.1762 12.1762 12.4346 12.4346 12.5429 12.5429 12.5547 12.5547 12.8180 12.8180 12.8777 12.8777 13.6196 13.6196 k = 0.3333 0.5774 0.0378 ( 2562 PWs) bands (ev): 3.1916 3.1916 3.1956 3.1956 6.5835 6.5835 8.2485 8.2485 8.2846 8.2846 9.4100 9.4100 9.4140 9.4140 9.7827 9.7827 10.5982 10.5982 11.0446 11.0446 11.0638 11.0638 11.0677 11.0677 11.5529 11.5529 11.6259 11.6259 11.7175 11.7175 12.0124 12.0124 12.1670 12.1670 12.1773 12.1773 12.4381 12.4381 12.5483 12.5483 12.5604 12.5604 12.8190 12.8190 12.8787 12.8787 13.6154 13.6154 k = 0.3333 0.5774 0.0503 ( 2556 PWs) bands (ev): 3.1972 3.1972 3.2012 3.2012 6.5930 6.5930 8.2173 8.2173 8.2527 8.2527 9.4241 9.4241 9.4284 9.4284 9.7567 9.7567 10.6006 10.6006 11.0492 11.0492 11.0641 11.0641 11.0680 11.0680 11.5552 11.5552 11.6199 11.6199 11.7107 11.7107 12.0127 12.0127 12.1697 12.1697 12.1787 12.1787 12.4430 12.4430 12.5557 12.5557 12.5682 12.5682 12.8203 12.8203 12.8801 12.8801 13.6096 13.6096 k = 0.3333 0.5774 0.0629 ( 2556 PWs) bands (ev): 3.2043 3.2043 3.2083 3.2083 6.6052 6.6052 8.1789 8.1789 8.2134 8.2134 9.4408 9.4408 9.4457 9.4457 9.7239 9.7239 10.6036 10.6036 11.0545 11.0545 11.0642 11.0642 11.0681 11.0681 11.5580 11.5580 11.6125 11.6125 11.7025 11.7025 12.0130 12.0130 12.1730 12.1730 12.1805 12.1805 12.4492 12.4492 12.5646 12.5646 12.5778 12.5778 12.8219 12.8219 12.8818 12.8818 13.6022 13.6022 k = 0.3333 0.5774 0.0755 ( 2559 PWs) bands (ev): 3.2130 3.2130 3.2169 3.2169 6.6201 6.6201 8.1341 8.1341 8.1678 8.1678 9.4595 9.4595 9.4648 9.4648 9.6851 9.6851 10.6073 10.6073 11.0602 11.0602 11.0641 11.0641 11.0680 11.0680 11.5612 11.5612 11.6041 11.6041 11.6933 11.6933 12.0132 12.0132 12.1770 12.1770 12.1826 12.1826 12.4567 12.4567 12.5750 12.5750 12.5890 12.5890 12.8236 12.8236 12.8839 12.8839 13.5932 13.5932 k = 0.3333 0.5774 0.0881 ( 2559 PWs) bands (ev): 3.2230 3.2230 3.2270 3.2270 6.6376 6.6376 8.0840 8.0840 8.1168 8.1168 9.4796 9.4796 9.4852 9.4852 9.6409 9.6409 10.6117 10.6117 11.0640 11.0640 11.0654 11.0654 11.0683 11.0683 11.5649 11.5649 11.5946 11.5946 11.6833 11.6833 12.0133 12.0133 12.1815 12.1815 12.1852 12.1852 12.4655 12.4655 12.5864 12.5864 12.6015 12.6015 12.8257 12.8257 12.8864 12.8864 13.5826 13.5826 k = 0.3333 0.5774 0.1007 ( 2559 PWs) bands (ev): 3.2345 3.2345 3.2384 3.2384 6.6578 6.6578 8.0294 8.0294 8.0613 8.0613 9.5005 9.5005 9.5059 9.5059 9.5920 9.5920 10.6167 10.6167 11.0637 11.0637 11.0668 11.0668 11.0718 11.0718 11.5688 11.5688 11.5845 11.5845 11.6731 11.6731 12.0134 12.0134 12.1866 12.1866 12.1883 12.1883 12.4756 12.4756 12.5985 12.5985 12.6150 12.6150 12.8281 12.8281 12.8893 12.8893 13.5706 13.5706 k = 0.3333 0.5774 0.1133 ( 2562 PWs) bands (ev): 3.2473 3.2473 3.2512 3.2512 6.6806 6.6806 7.9711 7.9711 8.0021 8.0021 9.5206 9.5206 9.5216 9.5216 9.5449 9.5449 10.6223 10.6223 11.0632 11.0632 11.0661 11.0661 11.0764 11.0764 11.5727 11.5727 11.5739 11.5739 11.6631 11.6631 12.0133 12.0133 12.1919 12.1919 12.1922 12.1922 12.4868 12.4868 12.6109 12.6109 12.6290 12.6290 12.8306 12.8306 12.8926 12.8926 13.5571 13.5571 k = 0.3333 0.5774 0.1259 ( 2559 PWs) bands (ev): 3.2613 3.2613 3.2653 3.2653 6.7060 6.7060 7.9100 7.9100 7.9402 7.9402 9.4764 9.4764 9.5427 9.5427 9.5526 9.5526 10.6287 10.6287 11.0624 11.0624 11.0650 11.0650 11.0803 11.0803 11.5629 11.5629 11.5763 11.5763 11.6539 11.6539 12.0130 12.0130 12.1963 12.1963 12.1986 12.1986 12.4993 12.4993 12.6231 12.6231 12.6432 12.6432 12.8334 12.8334 12.8964 12.8964 13.5422 13.5422 k = 0.3333 0.5774 0.1384 ( 2565 PWs) bands (ev): 3.2765 3.2765 3.2804 3.2804 6.7340 6.7340 7.8467 7.8467 7.8761 7.8761 9.4157 9.4157 9.5633 9.5633 9.5727 9.5727 10.6354 10.6354 11.0613 11.0613 11.0635 11.0635 11.0832 11.0832 11.5517 11.5517 11.5786 11.5786 11.6463 11.6463 12.0125 12.0125 12.2012 12.2012 12.2056 12.2056 12.5130 12.5130 12.6348 12.6348 12.6570 12.6570 12.8366 12.8366 12.9009 12.9009 13.5260 13.5260 k = 0.3333 0.5774 0.1510 ( 2553 PWs) bands (ev): 3.2928 3.2928 3.2967 3.2967 6.7646 6.7646 7.7819 7.7819 7.8106 7.8106 9.3513 9.3513 9.5834 9.5834 9.5929 9.5929 10.6429 10.6429 11.0601 11.0601 11.0617 11.0617 11.0850 11.0850 11.5404 11.5404 11.5788 11.5788 11.6415 11.6415 12.0116 12.0116 12.2071 12.2071 12.2135 12.2135 12.5278 12.5278 12.6456 12.6456 12.6702 12.6702 12.8404 12.8404 12.9060 12.9060 13.5088 13.5088 k = 0.3333 0.5774 0.1636 ( 2565 PWs) bands (ev): 3.3100 3.3100 3.3139 3.3139 6.7977 6.7977 7.7161 7.7161 7.7441 7.7441 9.2840 9.2840 9.6027 9.6027 9.6125 9.6125 10.6510 10.6510 11.0585 11.0585 11.0594 11.0594 11.0854 11.0854 11.5288 11.5288 11.5759 11.5759 11.6403 11.6403 12.0103 12.0103 12.2138 12.2138 12.2220 12.2220 12.5436 12.5436 12.6549 12.6549 12.6819 12.6819 12.8448 12.8448 12.9118 12.9118 13.4901 13.4901 k = 0.3333 0.5774 0.1762 ( 2565 PWs) bands (ev): 3.3281 3.3281 3.3319 3.3319 6.8332 6.8332 7.6500 7.6500 7.6773 7.6773 9.2142 9.2142 9.6210 9.6210 9.6312 9.6312 10.6598 10.6598 11.0569 11.0569 11.0569 11.0569 11.0845 11.0845 11.5173 11.5173 11.5700 11.5700 11.6429 11.6429 12.0086 12.0086 12.2214 12.2214 12.2315 12.2315 12.5605 12.5605 12.6627 12.6627 12.6921 12.6921 12.8501 12.8501 12.9186 12.9186 13.4704 13.4704 k = 0.3333 0.5774 0.1888 ( 2562 PWs) bands (ev): 3.3468 3.3468 3.3506 3.3506 6.8712 6.8712 7.5840 7.5840 7.6108 7.6108 9.1425 9.1425 9.6384 9.6384 9.6490 9.6490 10.6691 10.6691 11.0541 11.0541 11.0552 11.0552 11.0824 11.0824 11.5058 11.5058 11.5620 11.5620 11.6483 11.6483 12.0064 12.0064 12.2299 12.2299 12.2417 12.2417 12.5785 12.5785 12.6688 12.6688 12.7003 12.7003 12.8565 12.8565 12.9261 12.9261 13.4495 13.4495 k = 0.3333 0.5774 0.2014 ( 2559 PWs) bands (ev): 3.3660 3.3660 3.3698 3.3698 6.9117 6.9117 7.5186 7.5186 7.5449 7.5449 9.0690 9.0690 9.6548 9.6548 9.6657 9.6657 10.6791 10.6791 11.0512 11.0512 11.0534 11.0534 11.0789 11.0789 11.4942 11.4942 11.5527 11.5527 11.6558 11.6558 12.0036 12.0036 12.2395 12.2395 12.2529 12.2529 12.5973 12.5973 12.6727 12.6727 12.7060 12.7060 12.8641 12.8641 12.9345 12.9345 13.4277 13.4277 k = 0.3333 0.5774 0.2140 ( 2553 PWs) bands (ev): 3.3856 3.3856 3.3894 3.3894 6.9544 6.9544 7.4543 7.4543 7.4802 7.4802 8.9941 8.9941 9.6701 9.6701 9.6814 9.6814 10.6895 10.6895 11.0482 11.0482 11.0518 11.0518 11.0741 11.0741 11.4827 11.4827 11.5427 11.5427 11.6646 11.6646 12.0003 12.0003 12.2500 12.2500 12.2648 12.2648 12.6172 12.6172 12.6746 12.6746 12.7093 12.7093 12.8728 12.8728 12.9438 12.9438 13.4050 13.4050 k = 0.3333 0.5774 0.2265 ( 2568 PWs) bands (ev): 3.4054 3.4054 3.4091 3.4091 6.9995 6.9995 7.3916 7.3916 7.4171 7.4171 8.9180 8.9180 9.6841 9.6841 9.6958 9.6958 10.7003 10.7003 11.0452 11.0452 11.0502 11.0502 11.0680 11.0680 11.4711 11.4711 11.5322 11.5322 11.6744 11.6744 11.9963 11.9963 12.2613 12.2613 12.2775 12.2775 12.6376 12.6376 12.6743 12.6743 12.7101 12.7101 12.8823 12.8823 12.9534 12.9534 13.3813 13.3813 k = 0.3333 0.5774 0.2391 ( 2562 PWs) bands (ev): 3.4252 3.4252 3.4289 3.4289 7.0468 7.0468 7.3310 7.3310 7.3561 7.3561 8.8411 8.8411 9.6973 9.6973 9.7094 9.7094 10.7118 10.7118 11.0421 11.0421 11.0489 11.0489 11.0610 11.0610 11.4598 11.4598 11.5218 11.5218 11.6850 11.6850 11.9918 11.9918 12.2736 12.2736 12.2909 12.2909 12.6588 12.6588 12.6721 12.6721 12.7090 12.7090 12.8924 12.8924 12.9635 12.9635 13.3571 13.3571 k = 0.3333 0.5774 0.2517 ( 2562 PWs) bands (ev): 3.4449 3.4449 3.4485 3.4485 7.0962 7.0962 7.2727 7.2727 7.2977 7.2977 8.7635 8.7635 9.7093 9.7093 9.7218 9.7218 10.7237 10.7237 11.0391 11.0391 11.0478 11.0478 11.0529 11.0529 11.4486 11.4486 11.5115 11.5115 11.6962 11.6962 11.9865 11.9865 12.2866 12.2866 12.3050 12.3050 12.6680 12.6680 12.6797 12.6797 12.7069 12.7069 12.9028 12.9028 12.9737 12.9737 13.3320 13.3320 k = 0.3333 0.5774 0.2643 ( 2550 PWs) bands (ev): 3.4641 3.4641 3.4677 3.4677 7.1472 7.1472 7.2173 7.2173 7.2428 7.2428 8.6854 8.6854 9.7203 9.7203 9.7332 9.7332 10.7361 10.7361 11.0358 11.0358 11.0445 11.0445 11.0470 11.0470 11.4378 11.4378 11.5014 11.5014 11.7078 11.7078 11.9806 11.9806 12.3005 12.3005 12.3198 12.3198 12.6622 12.6622 12.6928 12.6928 12.7117 12.7117 12.9134 12.9134 12.9840 12.9840 13.3065 13.3065 k = 0.3333 0.5774 0.2769 ( 2550 PWs) bands (ev): 3.4826 3.4826 3.4862 3.4862 7.1651 7.1651 7.1819 7.1819 7.2095 7.2095 8.6071 8.6071 9.7302 9.7302 9.7435 9.7435 10.7489 10.7489 11.0300 11.0300 11.0376 11.0376 11.0465 11.0465 11.4272 11.4272 11.4917 11.4917 11.7198 11.7198 11.9740 11.9740 12.3149 12.3149 12.3349 12.3349 12.6549 12.6549 12.6896 12.6896 12.7317 12.7317 12.9235 12.9235 12.9939 12.9939 13.2803 13.2803 k = 0.3333 0.5774 0.2895 ( 2550 PWs) bands (ev): 3.5004 3.5004 3.5039 3.5039 7.1165 7.1165 7.1387 7.1387 7.2599 7.2599 8.5287 8.5287 9.7390 9.7390 9.7528 9.7528 10.7621 10.7621 11.0204 11.0204 11.0341 11.0341 11.0462 11.0462 11.4170 11.4170 11.4825 11.4825 11.7321 11.7321 11.9668 11.9668 12.3297 12.3297 12.3503 12.3503 12.6462 12.6462 12.6821 12.6821 12.7553 12.7553 12.9332 12.9332 13.0034 13.0034 13.2537 13.2537 k = 0.3333 0.5774 0.3021 ( 2538 PWs) bands (ev): 3.5170 3.5170 3.5205 3.5205 7.0719 7.0719 7.0944 7.0944 7.3173 7.3173 8.4504 8.4504 9.7469 9.7469 9.7611 9.7611 10.7756 10.7756 11.0091 11.0091 11.0320 11.0320 11.0463 11.0463 11.4075 11.4075 11.4740 11.4740 11.7445 11.7445 11.9591 11.9591 12.3450 12.3450 12.3659 12.3659 12.6365 12.6365 12.6731 12.6731 12.7801 12.7801 12.9424 12.9424 13.0124 13.0124 13.2267 13.2267 k = 0.3333 0.5774 0.3146 ( 2544 PWs) bands (ev): 3.5324 3.5324 3.5358 3.5358 7.0316 7.0316 7.0541 7.0541 7.3770 7.3770 8.3723 8.3723 9.7538 9.7538 9.7683 9.7683 10.7893 10.7893 10.9969 10.9969 11.0302 11.0302 11.0466 11.0466 11.3986 11.3986 11.4660 11.4660 11.7569 11.7569 11.9509 11.9509 12.3603 12.3603 12.3814 12.3814 12.6258 12.6258 12.6631 12.6631 12.8053 12.8053 12.9506 12.9506 13.0205 13.0205 13.1993 13.1993 k = 0.3333 0.5774 0.3272 ( 2544 PWs) bands (ev): 3.5462 3.5462 3.5496 3.5496 6.9959 6.9959 7.0183 7.0183 7.4387 7.4387 8.2947 8.2947 9.7597 9.7597 9.7745 9.7745 10.8033 10.8033 10.9840 10.9840 11.0289 11.0289 11.0470 11.0470 11.3905 11.3905 11.4588 11.4588 11.7691 11.7691 11.9423 11.9423 12.3756 12.3756 12.3966 12.3966 12.6144 12.6144 12.6525 12.6525 12.8311 12.8311 12.9579 12.9579 13.0278 13.0278 13.1718 13.1718 k = 0.3333 0.5774 0.3398 ( 2553 PWs) bands (ev): 3.5583 3.5583 3.5617 3.5617 6.9652 6.9652 6.9875 6.9875 7.5021 7.5021 8.2176 8.2176 9.7645 9.7645 9.7797 9.7797 10.8175 10.8175 10.9707 10.9707 11.0278 11.0278 11.0475 11.0475 11.3832 11.3832 11.4525 11.4525 11.7810 11.7810 11.9335 11.9335 12.3905 12.3905 12.4112 12.4112 12.6028 12.6028 12.6418 12.6418 12.8572 12.8572 12.9642 12.9642 13.0341 13.0341 13.1443 13.1443 k = 0.3333 0.5774 0.3524 ( 2559 PWs) bands (ev): 3.5684 3.5684 3.5718 3.5718 6.9397 6.9397 6.9619 6.9619 7.5672 7.5672 8.1412 8.1412 9.7686 9.7686 9.7839 9.7839 10.8316 10.8316 10.9572 10.9572 11.0269 11.0269 11.0481 11.0481 11.3772 11.3772 11.4472 11.4472 11.7923 11.7923 11.9247 11.9247 12.4046 12.4046 12.4248 12.4248 12.5913 12.5913 12.6313 12.6313 12.8835 12.8835 12.9694 12.9694 13.0393 13.0393 13.1167 13.1167 k = 0.3333 0.5774 0.3650 ( 2559 PWs) bands (ev): 3.5765 3.5765 3.5799 3.5799 6.9196 6.9196 6.9417 6.9417 7.6340 7.6340 8.0657 8.0657 9.7717 9.7717 9.7873 9.7873 10.8456 10.8456 10.9437 10.9437 11.0263 11.0263 11.0486 11.0486 11.3723 11.3723 11.4430 11.4430 11.8026 11.8026 11.9165 11.9165 12.4174 12.4174 12.4368 12.4368 12.5805 12.5805 12.6217 12.6217 12.9097 12.9097 12.9735 12.9735 13.0435 13.0435 13.0897 13.0897 k = 0.3333 0.5774 0.3776 ( 2559 PWs) bands (ev): 3.5824 3.5824 3.5858 3.5858 6.9051 6.9051 6.9272 6.9272 7.7021 7.7021 7.9913 7.9913 9.7739 9.7739 9.7897 9.7897 10.8589 10.8589 10.9308 10.9308 11.0259 11.0259 11.0491 11.0491 11.3687 11.3687 11.4400 11.4400 11.8112 11.8112 11.9093 11.9093 12.4279 12.4279 12.4464 12.4464 12.5714 12.5714 12.6138 12.6138 12.9353 12.9353 12.9763 12.9763 13.0465 13.0465 13.0636 13.0636 k = 0.3333 0.5774 0.3902 ( 2553 PWs) bands (ev): 3.5860 3.5860 3.5893 3.5893 6.8963 6.8963 6.9184 6.9184 7.7711 7.7711 7.9185 7.9185 9.7753 9.7753 9.7911 9.7911 10.8701 10.8701 10.9198 10.9198 11.0258 11.0258 11.0495 11.0495 11.3666 11.3666 11.4382 11.4382 11.8171 11.8171 11.9044 11.9044 12.4351 12.4351 12.4528 12.4528 12.5652 12.5652 12.6086 12.6086 12.9583 12.9583 12.9774 12.9774 13.0410 13.0410 13.0483 13.0483 k = 0.3333 0.5774 0.4027 ( 2544 PWs) bands (ev): 3.5872 3.5872 3.5905 3.5905 6.8934 6.8934 6.9155 6.9155 7.8278 7.8278 7.8606 7.8606 9.7758 9.7758 9.7916 9.7916 10.8753 10.8753 10.9147 10.9147 11.0257 11.0257 11.0496 11.0496 11.3659 11.3659 11.4376 11.4376 11.8193 11.8193 11.9026 11.9026 12.4377 12.4377 12.4551 12.4551 12.5630 12.5630 12.6067 12.6067 12.9718 12.9718 12.9754 12.9754 13.0300 13.0300 13.0489 13.0489 Writing output data file Fe2Ge.save init_run : 0.20s CPU 0.45s WALL ( 1 calls) electrons : 130.40s CPU 132.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.10s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 130.40s CPU 132.73s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 351 calls) cegterg : 116.13s CPU 117.81s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 68.12s CPU 69.38s WALL ( 6717 calls) s_psi : 5.37s CPU 5.34s WALL ( 6717 calls) g_psi : 0.16s CPU 0.15s WALL ( 5934 calls) cdiaghg : 43.88s CPU 44.52s WALL ( 6285 calls) cegterg:over : 4.13s CPU 4.12s WALL ( 5934 calls) cegterg:upda : 2.66s CPU 2.78s WALL ( 5934 calls) cegterg:last : 1.89s CPU 1.85s WALL ( 1302 calls) cdiaghg:chol : 2.43s CPU 2.45s WALL ( 6285 calls) cdiaghg:inve : 1.54s CPU 1.65s WALL ( 6285 calls) cdiaghg:para : 2.68s CPU 2.65s WALL ( 12570 calls) Called by h_psi: h_psi:vloc : 56.74s CPU 57.76s WALL ( 6717 calls) h_psi:vnl : 11.24s CPU 11.49s WALL ( 6717 calls) add_vuspsi : 6.24s CPU 6.32s WALL ( 6717 calls) General routines calbec : 4.98s CPU 5.16s WALL ( 6717 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 53.49s CPU 54.52s WALL ( 837752 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.15s WALL ( 702 calls) Parallel routines fft_scatter : 20.84s CPU 20.81s WALL ( 837775 calls) PWSCF : 2m22.95s CPU 2m45.92s WALL This run was terminated on: 18: 8: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=