Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:42:23 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: ./B2Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 20 12 4 452 213 38 Max 21 13 5 457 229 44 Sum 745 451 151 16353 7831 1473 bravais-lattice index = 14 lattice parameter (alat) = 5.7429 a.u. unit-cell volume = 164.8921 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.742877 celldm(2)= 1.000000 celldm(3)= 1.005265 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 1.005265 ) 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 0.994763 ) PseudoPot. # 1 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 1.00) B 3.00 10.81100 B( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 493 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0020284 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0020284 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0020284 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0020284 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0020284 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0020284 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0020284 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0020284 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0020284 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0020284 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0020284 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0020284 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0020284 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0020284 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0020284 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0020284 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0020284 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0020284 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0020284 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020284 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0020284 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0020284 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0020284 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0020284 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0020284 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0020284 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0020284 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0020284 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0020284 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020284 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0020284 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0020284 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0020284 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0020284 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0020284 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0020284 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0020284 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0020284 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0020284 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020284 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0020284 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0020284 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0020284 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0020284 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0020284 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0020284 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0020284 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0020284 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0020284 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0020284 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0020284 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0020284 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0020284 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0020284 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0020284 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0020284 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0020284 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0020284 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0020284 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020284 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020284 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0020284 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0020284 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0020284 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0020284 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020284 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0020284 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020284 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0020284 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0020284 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020284 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0020284 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0020284 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0020284 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020284 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020284 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0020284 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0020284 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0020284 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0020284 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020284 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020284 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0020284 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0020284 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0020284 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020284 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0020284 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0020284 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020284 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0020284 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020284 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0020284 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0020284 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0020284 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0020284 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020284 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020284 k( 99) = ( 0.3285024 0.5689829 -0.0000000), wk = 0.0020284 k( 100) = ( 0.3236715 0.5606155 -0.0000000), wk = 0.0020284 k( 101) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0020284 k( 102) = ( 0.3140097 0.5438807 -0.0000000), wk = 0.0020284 k( 103) = ( 0.3091787 0.5355133 -0.0000000), wk = 0.0020284 k( 104) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0020284 k( 105) = ( 0.2995169 0.5187785 -0.0000000), wk = 0.0020284 k( 106) = ( 0.2946860 0.5104111 -0.0000000), wk = 0.0020284 k( 107) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0020284 k( 108) = ( 0.2850241 0.4936763 -0.0000000), wk = 0.0020284 k( 109) = ( 0.2801932 0.4853089 -0.0000000), wk = 0.0020284 k( 110) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0020284 k( 111) = ( 0.2705314 0.4685741 -0.0000000), wk = 0.0020284 k( 112) = ( 0.2657005 0.4602067 -0.0000000), wk = 0.0020284 k( 113) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0020284 k( 114) = ( 0.2560386 0.4434720 -0.0000000), wk = 0.0020284 k( 115) = ( 0.2512077 0.4351046 -0.0000000), wk = 0.0020284 k( 116) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0020284 k( 117) = ( 0.2415459 0.4183698 -0.0000000), wk = 0.0020284 k( 118) = ( 0.2367150 0.4100024 -0.0000000), wk = 0.0020284 k( 119) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0020284 k( 120) = ( 0.2270531 0.3932676 -0.0000000), wk = 0.0020284 k( 121) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0020284 k( 122) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0020284 k( 123) = ( 0.2125604 0.3681654 -0.0000000), wk = 0.0020284 k( 124) = ( 0.2077295 0.3597980 -0.0000000), wk = 0.0020284 k( 125) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0020284 k( 126) = ( 0.1980676 0.3430632 -0.0000000), wk = 0.0020284 k( 127) = ( 0.1932367 0.3346958 -0.0000000), wk = 0.0020284 k( 128) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0020284 k( 129) = ( 0.1835749 0.3179610 -0.0000000), wk = 0.0020284 k( 130) = ( 0.1787440 0.3095936 -0.0000000), wk = 0.0020284 k( 131) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0020284 k( 132) = ( 0.1690821 0.2928588 -0.0000000), wk = 0.0020284 k( 133) = ( 0.1642512 0.2844914 -0.0000000), wk = 0.0020284 k( 134) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0020284 k( 135) = ( 0.1545894 0.2677566 -0.0000000), wk = 0.0020284 k( 136) = ( 0.1497584 0.2593892 -0.0000000), wk = 0.0020284 k( 137) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0020284 k( 138) = ( 0.1400966 0.2426545 -0.0000000), wk = 0.0020284 k( 139) = ( 0.1352657 0.2342871 -0.0000000), wk = 0.0020284 k( 140) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0020284 k( 141) = ( 0.1256039 0.2175523 -0.0000000), wk = 0.0020284 k( 142) = ( 0.1207730 0.2091849 -0.0000000), wk = 0.0020284 k( 143) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0020284 k( 144) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0020284 k( 145) = ( 0.1062802 0.1840827 -0.0000000), wk = 0.0020284 k( 146) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0020284 k( 147) = ( 0.0966184 0.1673479 -0.0000000), wk = 0.0020284 k( 148) = ( 0.0917874 0.1589805 -0.0000000), wk = 0.0020284 k( 149) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0020284 k( 150) = ( 0.0821256 0.1422457 -0.0000000), wk = 0.0020284 k( 151) = ( 0.0772947 0.1338783 -0.0000000), wk = 0.0020284 k( 152) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0020284 k( 153) = ( 0.0676328 0.1171435 -0.0000000), wk = 0.0020284 k( 154) = ( 0.0628019 0.1087761 -0.0000000), wk = 0.0020284 k( 155) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0020284 k( 156) = ( 0.0531401 0.0920414 -0.0000000), wk = 0.0020284 k( 157) = ( 0.0483092 0.0836740 -0.0000000), wk = 0.0020284 k( 158) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0020284 k( 159) = ( 0.0386473 0.0669392 -0.0000000), wk = 0.0020284 k( 160) = ( 0.0338164 0.0585718 -0.0000000), wk = 0.0020284 k( 161) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0020284 k( 162) = ( 0.0241546 0.0418370 -0.0000000), wk = 0.0020284 k( 163) = ( 0.0193237 0.0334696 -0.0000000), wk = 0.0020284 k( 164) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0020284 k( 165) = ( 0.0096618 0.0167348 -0.0000000), wk = 0.0020284 k( 166) = ( 0.0048309 0.0083674 -0.0000000), wk = 0.0020284 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 169) = ( 0.0000000 0.0000000 0.0095650), wk = 0.0020284 k( 170) = ( 0.0000000 0.0000000 0.0191301), wk = 0.0020284 k( 171) = ( 0.0000000 0.0000000 0.0286951), wk = 0.0020284 k( 172) = ( 0.0000000 0.0000000 0.0382601), wk = 0.0020284 k( 173) = ( 0.0000000 0.0000000 0.0478251), wk = 0.0020284 k( 174) = ( 0.0000000 0.0000000 0.0573902), wk = 0.0020284 k( 175) = ( 0.0000000 0.0000000 0.0669552), wk = 0.0020284 k( 176) = ( 0.0000000 0.0000000 0.0765202), wk = 0.0020284 k( 177) = ( 0.0000000 0.0000000 0.0860852), wk = 0.0020284 k( 178) = ( 0.0000000 0.0000000 0.0956503), wk = 0.0020284 k( 179) = ( 0.0000000 0.0000000 0.1052153), wk = 0.0020284 k( 180) = ( 0.0000000 0.0000000 0.1147803), wk = 0.0020284 k( 181) = ( 0.0000000 0.0000000 0.1243453), wk = 0.0020284 k( 182) = ( 0.0000000 0.0000000 0.1339104), wk = 0.0020284 k( 183) = ( 0.0000000 0.0000000 0.1434754), wk = 0.0020284 k( 184) = ( 0.0000000 0.0000000 0.1530404), wk = 0.0020284 k( 185) = ( 0.0000000 0.0000000 0.1626054), wk = 0.0020284 k( 186) = ( 0.0000000 0.0000000 0.1721705), wk = 0.0020284 k( 187) = ( 0.0000000 0.0000000 0.1817355), wk = 0.0020284 k( 188) = ( 0.0000000 0.0000000 0.1913005), wk = 0.0020284 k( 189) = ( 0.0000000 0.0000000 0.2008655), wk = 0.0020284 k( 190) = ( 0.0000000 0.0000000 0.2104306), wk = 0.0020284 k( 191) = ( 0.0000000 0.0000000 0.2199956), wk = 0.0020284 k( 192) = ( 0.0000000 0.0000000 0.2295606), wk = 0.0020284 k( 193) = ( 0.0000000 0.0000000 0.2391256), wk = 0.0020284 k( 194) = ( 0.0000000 0.0000000 0.2486907), wk = 0.0020284 k( 195) = ( 0.0000000 0.0000000 0.2582557), wk = 0.0020284 k( 196) = ( 0.0000000 0.0000000 0.2678207), wk = 0.0020284 k( 197) = ( 0.0000000 0.0000000 0.2773857), wk = 0.0020284 k( 198) = ( 0.0000000 0.0000000 0.2869508), wk = 0.0020284 k( 199) = ( 0.0000000 0.0000000 0.2965158), wk = 0.0020284 k( 200) = ( 0.0000000 0.0000000 0.3060808), wk = 0.0020284 k( 201) = ( 0.0000000 0.0000000 0.3156458), wk = 0.0020284 k( 202) = ( 0.0000000 0.0000000 0.3252109), wk = 0.0020284 k( 203) = ( 0.0000000 0.0000000 0.3347759), wk = 0.0020284 k( 204) = ( 0.0000000 0.0000000 0.3443409), wk = 0.0020284 k( 205) = ( 0.0000000 0.0000000 0.3539060), wk = 0.0020284 k( 206) = ( 0.0000000 0.0000000 0.3634710), wk = 0.0020284 k( 207) = ( 0.0000000 0.0000000 0.3730360), wk = 0.0020284 k( 208) = ( 0.0000000 0.0000000 0.3826010), wk = 0.0020284 k( 209) = ( 0.0000000 0.0000000 0.3921661), wk = 0.0020284 k( 210) = ( 0.0000000 0.0000000 0.4017311), wk = 0.0020284 k( 211) = ( 0.0000000 0.0000000 0.4112961), wk = 0.0020284 k( 212) = ( 0.0000000 0.0000000 0.4208611), wk = 0.0020284 k( 213) = ( 0.0000000 0.0000000 0.4304262), wk = 0.0020284 k( 214) = ( 0.0000000 0.0000000 0.4399912), wk = 0.0020284 k( 215) = ( 0.0000000 0.0000000 0.4495562), wk = 0.0020284 k( 216) = ( 0.0000000 0.0000000 0.4591212), wk = 0.0020284 k( 217) = ( 0.0000000 0.0000000 0.4686863), wk = 0.0020284 k( 218) = ( 0.0000000 0.0000000 0.4782513), wk = 0.0020284 k( 219) = ( 0.0000000 0.0000000 0.4878163), wk = 0.0020284 k( 220) = ( 0.0000000 0.0000000 0.4973813), wk = 0.0020284 k( 221) = ( 0.0000000 0.0000000 0.4973813), wk = 0.0020284 k( 222) = ( 0.0083333 0.0048113 0.4973813), wk = 0.0020284 k( 223) = ( 0.0166667 0.0096225 0.4973813), wk = 0.0020284 k( 224) = ( 0.0250000 0.0144338 0.4973813), wk = 0.0020284 k( 225) = ( 0.0333333 0.0192450 0.4973813), wk = 0.0020284 k( 226) = ( 0.0416667 0.0240563 0.4973813), wk = 0.0020284 k( 227) = ( 0.0500000 0.0288675 0.4973813), wk = 0.0020284 k( 228) = ( 0.0583333 0.0336788 0.4973813), wk = 0.0020284 k( 229) = ( 0.0666667 0.0384900 0.4973813), wk = 0.0020284 k( 230) = ( 0.0750000 0.0433013 0.4973813), wk = 0.0020284 k( 231) = ( 0.0833333 0.0481125 0.4973813), wk = 0.0020284 k( 232) = ( 0.0916667 0.0529238 0.4973813), wk = 0.0020284 k( 233) = ( 0.1000000 0.0577350 0.4973813), wk = 0.0020284 k( 234) = ( 0.1083333 0.0625463 0.4973813), wk = 0.0020284 k( 235) = ( 0.1166667 0.0673575 0.4973813), wk = 0.0020284 k( 236) = ( 0.1250000 0.0721688 0.4973813), wk = 0.0020284 k( 237) = ( 0.1333333 0.0769800 0.4973813), wk = 0.0020284 k( 238) = ( 0.1416667 0.0817913 0.4973813), wk = 0.0020284 k( 239) = ( 0.1500000 0.0866025 0.4973813), wk = 0.0020284 k( 240) = ( 0.1583333 0.0914138 0.4973813), wk = 0.0020284 k( 241) = ( 0.1666667 0.0962250 0.4973813), wk = 0.0020284 k( 242) = ( 0.1750000 0.1010363 0.4973813), wk = 0.0020284 k( 243) = ( 0.1833333 0.1058475 0.4973813), wk = 0.0020284 k( 244) = ( 0.1916667 0.1106588 0.4973813), wk = 0.0020284 k( 245) = ( 0.2000000 0.1154701 0.4973813), wk = 0.0020284 k( 246) = ( 0.2083333 0.1202813 0.4973813), wk = 0.0020284 k( 247) = ( 0.2166667 0.1250926 0.4973813), wk = 0.0020284 k( 248) = ( 0.2250000 0.1299038 0.4973813), wk = 0.0020284 k( 249) = ( 0.2333333 0.1347151 0.4973813), wk = 0.0020284 k( 250) = ( 0.2416667 0.1395263 0.4973813), wk = 0.0020284 k( 251) = ( 0.2500000 0.1443376 0.4973813), wk = 0.0020284 k( 252) = ( 0.2583333 0.1491488 0.4973813), wk = 0.0020284 k( 253) = ( 0.2666667 0.1539601 0.4973813), wk = 0.0020284 k( 254) = ( 0.2750000 0.1587713 0.4973813), wk = 0.0020284 k( 255) = ( 0.2833333 0.1635826 0.4973813), wk = 0.0020284 k( 256) = ( 0.2916667 0.1683938 0.4973813), wk = 0.0020284 k( 257) = ( 0.3000000 0.1732051 0.4973813), wk = 0.0020284 k( 258) = ( 0.3083333 0.1780163 0.4973813), wk = 0.0020284 k( 259) = ( 0.3166667 0.1828276 0.4973813), wk = 0.0020284 k( 260) = ( 0.3250000 0.1876388 0.4973813), wk = 0.0020284 k( 261) = ( 0.3333333 0.1924501 0.4973813), wk = 0.0020284 k( 262) = ( 0.3416667 0.1972613 0.4973813), wk = 0.0020284 k( 263) = ( 0.3500000 0.2020726 0.4973813), wk = 0.0020284 k( 264) = ( 0.3583333 0.2068838 0.4973813), wk = 0.0020284 k( 265) = ( 0.3666667 0.2116951 0.4973813), wk = 0.0020284 k( 266) = ( 0.3750000 0.2165064 0.4973813), wk = 0.0020284 k( 267) = ( 0.3833333 0.2213176 0.4973813), wk = 0.0020284 k( 268) = ( 0.3916667 0.2261289 0.4973813), wk = 0.0020284 k( 269) = ( 0.4000000 0.2309401 0.4973813), wk = 0.0020284 k( 270) = ( 0.4083333 0.2357514 0.4973813), wk = 0.0020284 k( 271) = ( 0.4166667 0.2405626 0.4973813), wk = 0.0020284 k( 272) = ( 0.4250000 0.2453739 0.4973813), wk = 0.0020284 k( 273) = ( 0.4333333 0.2501851 0.4973813), wk = 0.0020284 k( 274) = ( 0.4416667 0.2549964 0.4973813), wk = 0.0020284 k( 275) = ( 0.4500000 0.2598076 0.4973813), wk = 0.0020284 k( 276) = ( 0.4583333 0.2646189 0.4973813), wk = 0.0020284 k( 277) = ( 0.4666667 0.2694301 0.4973813), wk = 0.0020284 k( 278) = ( 0.4750000 0.2742414 0.4973813), wk = 0.0020284 k( 279) = ( 0.4833333 0.2790526 0.4973813), wk = 0.0020284 k( 280) = ( 0.4916667 0.2838639 0.4973813), wk = 0.0020284 k( 281) = ( 0.5000000 0.2886751 0.4973813), wk = 0.0020284 k( 282) = ( 0.5000000 0.2886751 0.4973813), wk = 0.0020284 k( 283) = ( 0.4952381 0.2969230 0.4973813), wk = 0.0020284 k( 284) = ( 0.4904762 0.3051709 0.4973813), wk = 0.0020284 k( 285) = ( 0.4857143 0.3134187 0.4973813), wk = 0.0020284 k( 286) = ( 0.4809524 0.3216666 0.4973813), wk = 0.0020284 k( 287) = ( 0.4761905 0.3299144 0.4973813), wk = 0.0020284 k( 288) = ( 0.4714286 0.3381623 0.4973813), wk = 0.0020284 k( 289) = ( 0.4666667 0.3464102 0.4973813), wk = 0.0020284 k( 290) = ( 0.4619048 0.3546580 0.4973813), wk = 0.0020284 k( 291) = ( 0.4571429 0.3629059 0.4973813), wk = 0.0020284 k( 292) = ( 0.4523810 0.3711537 0.4973813), wk = 0.0020284 k( 293) = ( 0.4476191 0.3794016 0.4973813), wk = 0.0020284 k( 294) = ( 0.4428571 0.3876495 0.4973813), wk = 0.0020284 k( 295) = ( 0.4380952 0.3958973 0.4973813), wk = 0.0020284 k( 296) = ( 0.4333333 0.4041452 0.4973813), wk = 0.0020284 k( 297) = ( 0.4285714 0.4123930 0.4973813), wk = 0.0020284 k( 298) = ( 0.4238095 0.4206409 0.4973813), wk = 0.0020284 k( 299) = ( 0.4190476 0.4288888 0.4973813), wk = 0.0020284 k( 300) = ( 0.4142857 0.4371366 0.4973813), wk = 0.0020284 k( 301) = ( 0.4095238 0.4453845 0.4973813), wk = 0.0020284 k( 302) = ( 0.4047619 0.4536324 0.4973813), wk = 0.0020284 k( 303) = ( 0.4000000 0.4618802 0.4973813), wk = 0.0020284 k( 304) = ( 0.3952381 0.4701281 0.4973813), wk = 0.0020284 k( 305) = ( 0.3904762 0.4783759 0.4973813), wk = 0.0020284 k( 306) = ( 0.3857143 0.4866238 0.4973813), wk = 0.0020284 k( 307) = ( 0.3809524 0.4948717 0.4973813), wk = 0.0020284 k( 308) = ( 0.3761905 0.5031195 0.4973813), wk = 0.0020284 k( 309) = ( 0.3714286 0.5113674 0.4973813), wk = 0.0020284 k( 310) = ( 0.3666667 0.5196152 0.4973813), wk = 0.0020284 k( 311) = ( 0.3619048 0.5278631 0.4973813), wk = 0.0020284 k( 312) = ( 0.3571429 0.5361110 0.4973813), wk = 0.0020284 k( 313) = ( 0.3523810 0.5443588 0.4973813), wk = 0.0020284 k( 314) = ( 0.3476190 0.5526067 0.4973813), wk = 0.0020284 k( 315) = ( 0.3428571 0.5608545 0.4973813), wk = 0.0020284 k( 316) = ( 0.3380952 0.5691024 0.4973813), wk = 0.0020284 k( 317) = ( 0.3333333 0.5773503 0.4973813), wk = 0.0020284 k( 318) = ( 0.3333333 0.5773503 0.4973813), wk = 0.0020284 k( 319) = ( 0.3285024 0.5689829 0.4973813), wk = 0.0020284 k( 320) = ( 0.3236715 0.5606155 0.4973813), wk = 0.0020284 k( 321) = ( 0.3188406 0.5522481 0.4973813), wk = 0.0020284 k( 322) = ( 0.3140097 0.5438807 0.4973813), wk = 0.0020284 k( 323) = ( 0.3091787 0.5355133 0.4973813), wk = 0.0020284 k( 324) = ( 0.3043478 0.5271459 0.4973813), wk = 0.0020284 k( 325) = ( 0.2995169 0.5187785 0.4973813), wk = 0.0020284 k( 326) = ( 0.2946860 0.5104111 0.4973813), wk = 0.0020284 k( 327) = ( 0.2898551 0.5020437 0.4973813), wk = 0.0020284 k( 328) = ( 0.2850241 0.4936763 0.4973813), wk = 0.0020284 k( 329) = ( 0.2801932 0.4853089 0.4973813), wk = 0.0020284 k( 330) = ( 0.2753623 0.4769415 0.4973813), wk = 0.0020284 k( 331) = ( 0.2705314 0.4685741 0.4973813), wk = 0.0020284 k( 332) = ( 0.2657005 0.4602067 0.4973813), wk = 0.0020284 k( 333) = ( 0.2608696 0.4518393 0.4973813), wk = 0.0020284 k( 334) = ( 0.2560386 0.4434720 0.4973813), wk = 0.0020284 k( 335) = ( 0.2512077 0.4351046 0.4973813), wk = 0.0020284 k( 336) = ( 0.2463768 0.4267372 0.4973813), wk = 0.0020284 k( 337) = ( 0.2415459 0.4183698 0.4973813), wk = 0.0020284 k( 338) = ( 0.2367150 0.4100024 0.4973813), wk = 0.0020284 k( 339) = ( 0.2318841 0.4016350 0.4973813), wk = 0.0020284 k( 340) = ( 0.2270531 0.3932676 0.4973813), wk = 0.0020284 k( 341) = ( 0.2222222 0.3849002 0.4973813), wk = 0.0020284 k( 342) = ( 0.2173913 0.3765328 0.4973813), wk = 0.0020284 k( 343) = ( 0.2125604 0.3681654 0.4973813), wk = 0.0020284 k( 344) = ( 0.2077295 0.3597980 0.4973813), wk = 0.0020284 k( 345) = ( 0.2028986 0.3514306 0.4973813), wk = 0.0020284 k( 346) = ( 0.1980676 0.3430632 0.4973813), wk = 0.0020284 k( 347) = ( 0.1932367 0.3346958 0.4973813), wk = 0.0020284 k( 348) = ( 0.1884058 0.3263284 0.4973813), wk = 0.0020284 k( 349) = ( 0.1835749 0.3179610 0.4973813), wk = 0.0020284 k( 350) = ( 0.1787440 0.3095936 0.4973813), wk = 0.0020284 k( 351) = ( 0.1739130 0.3012262 0.4973813), wk = 0.0020284 k( 352) = ( 0.1690821 0.2928588 0.4973813), wk = 0.0020284 k( 353) = ( 0.1642512 0.2844914 0.4973813), wk = 0.0020284 k( 354) = ( 0.1594203 0.2761240 0.4973813), wk = 0.0020284 k( 355) = ( 0.1545894 0.2677566 0.4973813), wk = 0.0020284 k( 356) = ( 0.1497584 0.2593892 0.4973813), wk = 0.0020284 k( 357) = ( 0.1449275 0.2510219 0.4973813), wk = 0.0020284 k( 358) = ( 0.1400966 0.2426545 0.4973813), wk = 0.0020284 k( 359) = ( 0.1352657 0.2342871 0.4973813), wk = 0.0020284 k( 360) = ( 0.1304348 0.2259197 0.4973813), wk = 0.0020284 k( 361) = ( 0.1256039 0.2175523 0.4973813), wk = 0.0020284 k( 362) = ( 0.1207730 0.2091849 0.4973813), wk = 0.0020284 k( 363) = ( 0.1159420 0.2008175 0.4973813), wk = 0.0020284 k( 364) = ( 0.1111111 0.1924501 0.4973813), wk = 0.0020284 k( 365) = ( 0.1062802 0.1840827 0.4973813), wk = 0.0020284 k( 366) = ( 0.1014493 0.1757153 0.4973813), wk = 0.0020284 k( 367) = ( 0.0966184 0.1673479 0.4973813), wk = 0.0020284 k( 368) = ( 0.0917874 0.1589805 0.4973813), wk = 0.0020284 k( 369) = ( 0.0869565 0.1506131 0.4973813), wk = 0.0020284 k( 370) = ( 0.0821256 0.1422457 0.4973813), wk = 0.0020284 k( 371) = ( 0.0772947 0.1338783 0.4973813), wk = 0.0020284 k( 372) = ( 0.0724638 0.1255109 0.4973813), wk = 0.0020284 k( 373) = ( 0.0676328 0.1171435 0.4973813), wk = 0.0020284 k( 374) = ( 0.0628019 0.1087761 0.4973813), wk = 0.0020284 k( 375) = ( 0.0579710 0.1004087 0.4973813), wk = 0.0020284 k( 376) = ( 0.0531401 0.0920414 0.4973813), wk = 0.0020284 k( 377) = ( 0.0483092 0.0836740 0.4973813), wk = 0.0020284 k( 378) = ( 0.0434783 0.0753066 0.4973813), wk = 0.0020284 k( 379) = ( 0.0386473 0.0669392 0.4973813), wk = 0.0020284 k( 380) = ( 0.0338164 0.0585718 0.4973813), wk = 0.0020284 k( 381) = ( 0.0289855 0.0502044 0.4973813), wk = 0.0020284 k( 382) = ( 0.0241546 0.0418370 0.4973813), wk = 0.0020284 k( 383) = ( 0.0193237 0.0334696 0.4973813), wk = 0.0020284 k( 384) = ( 0.0144928 0.0251022 0.4973813), wk = 0.0020284 k( 385) = ( 0.0096618 0.0167348 0.4973813), wk = 0.0020284 k( 386) = ( 0.0048309 0.0083674 0.4973813), wk = 0.0020284 k( 387) = ( 0.0000000 0.0000000 0.4973813), wk = 0.0020284 k( 388) = ( 0.5000000 0.2886751 0.4973813), wk = 0.0020284 k( 389) = ( 0.5000000 0.2886751 0.4878163), wk = 0.0020284 k( 390) = ( 0.5000000 0.2886751 0.4782513), wk = 0.0020284 k( 391) = ( 0.5000000 0.2886751 0.4686863), wk = 0.0020284 k( 392) = ( 0.5000000 0.2886751 0.4591212), wk = 0.0020284 k( 393) = ( 0.5000000 0.2886751 0.4495562), wk = 0.0020284 k( 394) = ( 0.5000000 0.2886751 0.4399912), wk = 0.0020284 k( 395) = ( 0.5000000 0.2886751 0.4304262), wk = 0.0020284 k( 396) = ( 0.5000000 0.2886751 0.4208611), wk = 0.0020284 k( 397) = ( 0.5000000 0.2886751 0.4112961), wk = 0.0020284 k( 398) = ( 0.5000000 0.2886751 0.4017311), wk = 0.0020284 k( 399) = ( 0.5000000 0.2886751 0.3921661), wk = 0.0020284 k( 400) = ( 0.5000000 0.2886751 0.3826010), wk = 0.0020284 k( 401) = ( 0.5000000 0.2886751 0.3730360), wk = 0.0020284 k( 402) = ( 0.5000000 0.2886751 0.3634710), wk = 0.0020284 k( 403) = ( 0.5000000 0.2886751 0.3539060), wk = 0.0020284 k( 404) = ( 0.5000000 0.2886751 0.3443409), wk = 0.0020284 k( 405) = ( 0.5000000 0.2886751 0.3347759), wk = 0.0020284 k( 406) = ( 0.5000000 0.2886751 0.3252109), wk = 0.0020284 k( 407) = ( 0.5000000 0.2886751 0.3156458), wk = 0.0020284 k( 408) = ( 0.5000000 0.2886751 0.3060808), wk = 0.0020284 k( 409) = ( 0.5000000 0.2886751 0.2965158), wk = 0.0020284 k( 410) = ( 0.5000000 0.2886751 0.2869508), wk = 0.0020284 k( 411) = ( 0.5000000 0.2886751 0.2773857), wk = 0.0020284 k( 412) = ( 0.5000000 0.2886751 0.2678207), wk = 0.0020284 k( 413) = ( 0.5000000 0.2886751 0.2582557), wk = 0.0020284 k( 414) = ( 0.5000000 0.2886751 0.2486907), wk = 0.0020284 k( 415) = ( 0.5000000 0.2886751 0.2391256), wk = 0.0020284 k( 416) = ( 0.5000000 0.2886751 0.2295606), wk = 0.0020284 k( 417) = ( 0.5000000 0.2886751 0.2199956), wk = 0.0020284 k( 418) = ( 0.5000000 0.2886751 0.2104306), wk = 0.0020284 k( 419) = ( 0.5000000 0.2886751 0.2008655), wk = 0.0020284 k( 420) = ( 0.5000000 0.2886751 0.1913005), wk = 0.0020284 k( 421) = ( 0.5000000 0.2886751 0.1817355), wk = 0.0020284 k( 422) = ( 0.5000000 0.2886751 0.1721705), wk = 0.0020284 k( 423) = ( 0.5000000 0.2886751 0.1626054), wk = 0.0020284 k( 424) = ( 0.5000000 0.2886751 0.1530404), wk = 0.0020284 k( 425) = ( 0.5000000 0.2886751 0.1434754), wk = 0.0020284 k( 426) = ( 0.5000000 0.2886751 0.1339104), wk = 0.0020284 k( 427) = ( 0.5000000 0.2886751 0.1243453), wk = 0.0020284 k( 428) = ( 0.5000000 0.2886751 0.1147803), wk = 0.0020284 k( 429) = ( 0.5000000 0.2886751 0.1052153), wk = 0.0020284 k( 430) = ( 0.5000000 0.2886751 0.0956503), wk = 0.0020284 k( 431) = ( 0.5000000 0.2886751 0.0860852), wk = 0.0020284 k( 432) = ( 0.5000000 0.2886751 0.0765202), wk = 0.0020284 k( 433) = ( 0.5000000 0.2886751 0.0669552), wk = 0.0020284 k( 434) = ( 0.5000000 0.2886751 0.0573902), wk = 0.0020284 k( 435) = ( 0.5000000 0.2886751 0.0478251), wk = 0.0020284 k( 436) = ( 0.5000000 0.2886751 0.0382601), wk = 0.0020284 k( 437) = ( 0.5000000 0.2886751 0.0286951), wk = 0.0020284 k( 438) = ( 0.5000000 0.2886751 0.0191301), wk = 0.0020284 k( 439) = ( 0.5000000 0.2886751 0.0095650), wk = 0.0020284 k( 440) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020284 k( 441) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020284 k( 442) = ( 0.3333333 0.5773503 0.0095650), wk = 0.0020284 k( 443) = ( 0.3333333 0.5773503 0.0191301), wk = 0.0020284 k( 444) = ( 0.3333333 0.5773503 0.0286951), wk = 0.0020284 k( 445) = ( 0.3333333 0.5773503 0.0382601), wk = 0.0020284 k( 446) = ( 0.3333333 0.5773503 0.0478251), wk = 0.0020284 k( 447) = ( 0.3333333 0.5773503 0.0573902), wk = 0.0020284 k( 448) = ( 0.3333333 0.5773503 0.0669552), wk = 0.0020284 k( 449) = ( 0.3333333 0.5773503 0.0765202), wk = 0.0020284 k( 450) = ( 0.3333333 0.5773503 0.0860852), wk = 0.0020284 k( 451) = ( 0.3333333 0.5773503 0.0956503), wk = 0.0020284 k( 452) = ( 0.3333333 0.5773503 0.1052153), wk = 0.0020284 k( 453) = ( 0.3333333 0.5773503 0.1147803), wk = 0.0020284 k( 454) = ( 0.3333333 0.5773503 0.1243453), wk = 0.0020284 k( 455) = ( 0.3333333 0.5773503 0.1339104), wk = 0.0020284 k( 456) = ( 0.3333333 0.5773503 0.1434754), wk = 0.0020284 k( 457) = ( 0.3333333 0.5773503 0.1530404), wk = 0.0020284 k( 458) = ( 0.3333333 0.5773503 0.1626054), wk = 0.0020284 k( 459) = ( 0.3333333 0.5773503 0.1721705), wk = 0.0020284 k( 460) = ( 0.3333333 0.5773503 0.1817355), wk = 0.0020284 k( 461) = ( 0.3333333 0.5773503 0.1913005), wk = 0.0020284 k( 462) = ( 0.3333333 0.5773503 0.2008655), wk = 0.0020284 k( 463) = ( 0.3333333 0.5773503 0.2104306), wk = 0.0020284 k( 464) = ( 0.3333333 0.5773503 0.2199956), wk = 0.0020284 k( 465) = ( 0.3333333 0.5773503 0.2295606), wk = 0.0020284 k( 466) = ( 0.3333333 0.5773503 0.2391256), wk = 0.0020284 k( 467) = ( 0.3333333 0.5773503 0.2486907), wk = 0.0020284 k( 468) = ( 0.3333333 0.5773503 0.2582557), wk = 0.0020284 k( 469) = ( 0.3333333 0.5773503 0.2678207), wk = 0.0020284 k( 470) = ( 0.3333333 0.5773503 0.2773857), wk = 0.0020284 k( 471) = ( 0.3333333 0.5773503 0.2869508), wk = 0.0020284 k( 472) = ( 0.3333333 0.5773503 0.2965158), wk = 0.0020284 k( 473) = ( 0.3333333 0.5773503 0.3060808), wk = 0.0020284 k( 474) = ( 0.3333333 0.5773503 0.3156458), wk = 0.0020284 k( 475) = ( 0.3333333 0.5773503 0.3252109), wk = 0.0020284 k( 476) = ( 0.3333333 0.5773503 0.3347759), wk = 0.0020284 k( 477) = ( 0.3333333 0.5773503 0.3443409), wk = 0.0020284 k( 478) = ( 0.3333333 0.5773503 0.3539060), wk = 0.0020284 k( 479) = ( 0.3333333 0.5773503 0.3634710), wk = 0.0020284 k( 480) = ( 0.3333333 0.5773503 0.3730360), wk = 0.0020284 k( 481) = ( 0.3333333 0.5773503 0.3826010), wk = 0.0020284 k( 482) = ( 0.3333333 0.5773503 0.3921661), wk = 0.0020284 k( 483) = ( 0.3333333 0.5773503 0.4017311), wk = 0.0020284 k( 484) = ( 0.3333333 0.5773503 0.4112961), wk = 0.0020284 k( 485) = ( 0.3333333 0.5773503 0.4208611), wk = 0.0020284 k( 486) = ( 0.3333333 0.5773503 0.4304262), wk = 0.0020284 k( 487) = ( 0.3333333 0.5773503 0.4399912), wk = 0.0020284 k( 488) = ( 0.3333333 0.5773503 0.4495562), wk = 0.0020284 k( 489) = ( 0.3333333 0.5773503 0.4591212), wk = 0.0020284 k( 490) = ( 0.3333333 0.5773503 0.4686863), wk = 0.0020284 k( 491) = ( 0.3333333 0.5773503 0.4782513), wk = 0.0020284 k( 492) = ( 0.3333333 0.5773503 0.4878163), wk = 0.0020284 k( 493) = ( 0.3333333 0.5773503 0.4973813), wk = 0.0020284 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 2) = ( 0.0083333 -0.0000000 0.0000000), wk = 0.0020284 k( 3) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0020284 k( 4) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0020284 k( 5) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0020284 k( 6) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0020284 k( 7) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0020284 k( 8) = ( 0.0583333 -0.0000000 -0.0000000), wk = 0.0020284 k( 9) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0020284 k( 10) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0020284 k( 11) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0020284 k( 12) = ( 0.0916667 -0.0000000 -0.0000000), wk = 0.0020284 k( 13) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 14) = ( 0.1083333 -0.0000000 0.0000000), wk = 0.0020284 k( 15) = ( 0.1166667 -0.0000000 0.0000000), wk = 0.0020284 k( 16) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0020284 k( 17) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0020284 k( 18) = ( 0.1416667 -0.0000000 0.0000000), wk = 0.0020284 k( 19) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0020284 k( 20) = ( 0.1583333 -0.0000000 -0.0000000), wk = 0.0020284 k( 21) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0020284 k( 22) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0020284 k( 23) = ( 0.1833333 -0.0000000 0.0000000), wk = 0.0020284 k( 24) = ( 0.1916667 -0.0000000 -0.0000000), wk = 0.0020284 k( 25) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 26) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0020284 k( 27) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0020284 k( 28) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0020284 k( 29) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0020284 k( 30) = ( 0.2416667 -0.0000000 -0.0000000), wk = 0.0020284 k( 31) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020284 k( 32) = ( 0.2583333 -0.0000000 -0.0000000), wk = 0.0020284 k( 33) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0020284 k( 34) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0020284 k( 35) = ( 0.2833333 -0.0000000 0.0000000), wk = 0.0020284 k( 36) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0020284 k( 37) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 38) = ( 0.3083333 -0.0000000 0.0000000), wk = 0.0020284 k( 39) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0020284 k( 40) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0020284 k( 41) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0020284 k( 42) = ( 0.3416667 -0.0000000 0.0000000), wk = 0.0020284 k( 43) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0020284 k( 44) = ( 0.3583333 -0.0000000 0.0000000), wk = 0.0020284 k( 45) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0020284 k( 46) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0020284 k( 47) = ( 0.3833333 -0.0000000 0.0000000), wk = 0.0020284 k( 48) = ( 0.3916667 -0.0000000 -0.0000000), wk = 0.0020284 k( 49) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 50) = ( 0.4083333 -0.0000000 0.0000000), wk = 0.0020284 k( 51) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0020284 k( 52) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0020284 k( 53) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0020284 k( 54) = ( 0.4416667 -0.0000000 -0.0000000), wk = 0.0020284 k( 55) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0020284 k( 56) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0020284 k( 57) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0020284 k( 58) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0020284 k( 59) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0020284 k( 60) = ( 0.4916667 -0.0000000 -0.0000000), wk = 0.0020284 k( 61) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 62) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 63) = ( 0.4952381 0.0095238 -0.0000000), wk = 0.0020284 k( 64) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0020284 k( 65) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0020284 k( 66) = ( 0.4809524 0.0380952 -0.0000000), wk = 0.0020284 k( 67) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0020284 k( 68) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0020284 k( 69) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0020284 k( 70) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0020284 k( 71) = ( 0.4571429 0.0857143 0.0000000), wk = 0.0020284 k( 72) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0020284 k( 73) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0020284 k( 74) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0020284 k( 75) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0020284 k( 76) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0020284 k( 77) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0020284 k( 78) = ( 0.4238095 0.1523809 -0.0000000), wk = 0.0020284 k( 79) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0020284 k( 80) = ( 0.4142857 0.1714286 -0.0000000), wk = 0.0020284 k( 81) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0020284 k( 82) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0020284 k( 83) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0020284 k( 84) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0020284 k( 85) = ( 0.3904762 0.2190476 -0.0000000), wk = 0.0020284 k( 86) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0020284 k( 87) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0020284 k( 88) = ( 0.3761905 0.2476190 -0.0000000), wk = 0.0020284 k( 89) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0020284 k( 90) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0020284 k( 91) = ( 0.3619048 0.2761905 -0.0000000), wk = 0.0020284 k( 92) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0020284 k( 93) = ( 0.3523810 0.2952381 -0.0000000), wk = 0.0020284 k( 94) = ( 0.3476190 0.3047619 -0.0000000), wk = 0.0020284 k( 95) = ( 0.3428571 0.3142857 -0.0000000), wk = 0.0020284 k( 96) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0020284 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020284 k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020284 k( 99) = ( 0.3285024 0.3285024 0.0000000), wk = 0.0020284 k( 100) = ( 0.3236715 0.3236715 0.0000000), wk = 0.0020284 k( 101) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0020284 k( 102) = ( 0.3140097 0.3140097 -0.0000000), wk = 0.0020284 k( 103) = ( 0.3091787 0.3091787 -0.0000000), wk = 0.0020284 k( 104) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0020284 k( 105) = ( 0.2995169 0.2995169 0.0000000), wk = 0.0020284 k( 106) = ( 0.2946860 0.2946860 -0.0000000), wk = 0.0020284 k( 107) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0020284 k( 108) = ( 0.2850241 0.2850241 -0.0000000), wk = 0.0020284 k( 109) = ( 0.2801932 0.2801932 0.0000000), wk = 0.0020284 k( 110) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0020284 k( 111) = ( 0.2705314 0.2705314 -0.0000000), wk = 0.0020284 k( 112) = ( 0.2657005 0.2657005 -0.0000000), wk = 0.0020284 k( 113) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0020284 k( 114) = ( 0.2560386 0.2560386 -0.0000000), wk = 0.0020284 k( 115) = ( 0.2512077 0.2512077 -0.0000000), wk = 0.0020284 k( 116) = ( 0.2463768 0.2463768 -0.0000000), wk = 0.0020284 k( 117) = ( 0.2415459 0.2415459 -0.0000000), wk = 0.0020284 k( 118) = ( 0.2367150 0.2367150 -0.0000000), wk = 0.0020284 k( 119) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0020284 k( 120) = ( 0.2270531 0.2270531 -0.0000000), wk = 0.0020284 k( 121) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0020284 k( 122) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0020284 k( 123) = ( 0.2125604 0.2125604 -0.0000000), wk = 0.0020284 k( 124) = ( 0.2077295 0.2077295 -0.0000000), wk = 0.0020284 k( 125) = ( 0.2028986 0.2028985 -0.0000000), wk = 0.0020284 k( 126) = ( 0.1980676 0.1980676 0.0000000), wk = 0.0020284 k( 127) = ( 0.1932367 0.1932367 0.0000000), wk = 0.0020284 k( 128) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0020284 k( 129) = ( 0.1835749 0.1835749 0.0000000), wk = 0.0020284 k( 130) = ( 0.1787440 0.1787440 0.0000000), wk = 0.0020284 k( 131) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0020284 k( 132) = ( 0.1690821 0.1690821 0.0000000), wk = 0.0020284 k( 133) = ( 0.1642512 0.1642512 0.0000000), wk = 0.0020284 k( 134) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0020284 k( 135) = ( 0.1545894 0.1545894 -0.0000000), wk = 0.0020284 k( 136) = ( 0.1497584 0.1497584 -0.0000000), wk = 0.0020284 k( 137) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0020284 k( 138) = ( 0.1400966 0.1400966 0.0000000), wk = 0.0020284 k( 139) = ( 0.1352657 0.1352657 -0.0000000), wk = 0.0020284 k( 140) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0020284 k( 141) = ( 0.1256039 0.1256039 -0.0000000), wk = 0.0020284 k( 142) = ( 0.1207730 0.1207729 0.0000000), wk = 0.0020284 k( 143) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0020284 k( 144) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0020284 k( 145) = ( 0.1062802 0.1062802 0.0000000), wk = 0.0020284 k( 146) = ( 0.1014493 0.1014493 -0.0000000), wk = 0.0020284 k( 147) = ( 0.0966184 0.0966184 -0.0000000), wk = 0.0020284 k( 148) = ( 0.0917874 0.0917874 0.0000000), wk = 0.0020284 k( 149) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0020284 k( 150) = ( 0.0821256 0.0821256 -0.0000000), wk = 0.0020284 k( 151) = ( 0.0772947 0.0772947 -0.0000000), wk = 0.0020284 k( 152) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0020284 k( 153) = ( 0.0676328 0.0676328 -0.0000000), wk = 0.0020284 k( 154) = ( 0.0628019 0.0628019 -0.0000000), wk = 0.0020284 k( 155) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0020284 k( 156) = ( 0.0531401 0.0531401 0.0000000), wk = 0.0020284 k( 157) = ( 0.0483092 0.0483092 -0.0000000), wk = 0.0020284 k( 158) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0020284 k( 159) = ( 0.0386473 0.0386473 0.0000000), wk = 0.0020284 k( 160) = ( 0.0338164 0.0338164 -0.0000000), wk = 0.0020284 k( 161) = ( 0.0289855 0.0289855 -0.0000000), wk = 0.0020284 k( 162) = ( 0.0241546 0.0241546 -0.0000000), wk = 0.0020284 k( 163) = ( 0.0193237 0.0193237 0.0000000), wk = 0.0020284 k( 164) = ( 0.0144928 0.0144927 -0.0000000), wk = 0.0020284 k( 165) = ( 0.0096618 0.0096618 -0.0000000), wk = 0.0020284 k( 166) = ( 0.0048309 0.0048309 -0.0000000), wk = 0.0020284 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020284 k( 169) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0020284 k( 170) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0020284 k( 171) = ( 0.0000000 0.0000000 0.0288461), wk = 0.0020284 k( 172) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0020284 k( 173) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0020284 k( 174) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0020284 k( 175) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0020284 k( 176) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0020284 k( 177) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0020284 k( 178) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0020284 k( 179) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0020284 k( 180) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0020284 k( 181) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020284 k( 182) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0020284 k( 183) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0020284 k( 184) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0020284 k( 185) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0020284 k( 186) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0020284 k( 187) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0020284 k( 188) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0020284 k( 189) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0020284 k( 190) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0020284 k( 191) = ( 0.0000000 0.0000000 0.2211538), wk = 0.0020284 k( 192) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0020284 k( 193) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0020284 k( 194) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020284 k( 195) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0020284 k( 196) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0020284 k( 197) = ( 0.0000000 0.0000000 0.2788461), wk = 0.0020284 k( 198) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0020284 k( 199) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0020284 k( 200) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0020284 k( 201) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0020284 k( 202) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0020284 k( 203) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0020284 k( 204) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0020284 k( 205) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0020284 k( 206) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0020284 k( 207) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020284 k( 208) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0020284 k( 209) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0020284 k( 210) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0020284 k( 211) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0020284 k( 212) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0020284 k( 213) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0020284 k( 214) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0020284 k( 215) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0020284 k( 216) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0020284 k( 217) = ( 0.0000000 0.0000000 0.4711538), wk = 0.0020284 k( 218) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0020284 k( 219) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0020284 k( 220) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020284 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020284 k( 222) = ( 0.0083333 -0.0000000 0.5000000), wk = 0.0020284 k( 223) = ( 0.0166667 -0.0000000 0.5000000), wk = 0.0020284 k( 224) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0020284 k( 225) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0020284 k( 226) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0020284 k( 227) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0020284 k( 228) = ( 0.0583333 -0.0000000 0.5000000), wk = 0.0020284 k( 229) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0020284 k( 230) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0020284 k( 231) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0020284 k( 232) = ( 0.0916667 -0.0000000 0.5000000), wk = 0.0020284 k( 233) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0020284 k( 234) = ( 0.1083333 -0.0000000 0.5000000), wk = 0.0020284 k( 235) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0020284 k( 236) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0020284 k( 237) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0020284 k( 238) = ( 0.1416667 -0.0000000 0.5000000), wk = 0.0020284 k( 239) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0020284 k( 240) = ( 0.1583333 -0.0000000 0.5000000), wk = 0.0020284 k( 241) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0020284 k( 242) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0020284 k( 243) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0020284 k( 244) = ( 0.1916667 -0.0000000 0.5000000), wk = 0.0020284 k( 245) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0020284 k( 246) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0020284 k( 247) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0020284 k( 248) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0020284 k( 249) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0020284 k( 250) = ( 0.2416667 -0.0000000 0.5000000), wk = 0.0020284 k( 251) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0020284 k( 252) = ( 0.2583333 -0.0000000 0.5000000), wk = 0.0020284 k( 253) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0020284 k( 254) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0020284 k( 255) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0020284 k( 256) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0020284 k( 257) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0020284 k( 258) = ( 0.3083333 -0.0000000 0.5000000), wk = 0.0020284 k( 259) = ( 0.3166667 -0.0000000 0.5000000), wk = 0.0020284 k( 260) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0020284 k( 261) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0020284 k( 262) = ( 0.3416667 -0.0000000 0.5000000), wk = 0.0020284 k( 263) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0020284 k( 264) = ( 0.3583333 -0.0000000 0.5000000), wk = 0.0020284 k( 265) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0020284 k( 266) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0020284 k( 267) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0020284 k( 268) = ( 0.3916667 -0.0000000 0.5000000), wk = 0.0020284 k( 269) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0020284 k( 270) = ( 0.4083333 -0.0000000 0.5000000), wk = 0.0020284 k( 271) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0020284 k( 272) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0020284 k( 273) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0020284 k( 274) = ( 0.4416667 -0.0000000 0.5000000), wk = 0.0020284 k( 275) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0020284 k( 276) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0020284 k( 277) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0020284 k( 278) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0020284 k( 279) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0020284 k( 280) = ( 0.4916667 -0.0000000 0.5000000), wk = 0.0020284 k( 281) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020284 k( 282) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020284 k( 283) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0020284 k( 284) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0020284 k( 285) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0020284 k( 286) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0020284 k( 287) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0020284 k( 288) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0020284 k( 289) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020284 k( 290) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0020284 k( 291) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0020284 k( 292) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020284 k( 293) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0020284 k( 294) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0020284 k( 295) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0020284 k( 296) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020284 k( 297) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020284 k( 298) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0020284 k( 299) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0020284 k( 300) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0020284 k( 301) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0020284 k( 302) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020284 k( 303) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020284 k( 304) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0020284 k( 305) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0020284 k( 306) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0020284 k( 307) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020284 k( 308) = ( 0.3761905 0.2476190 0.5000000), wk = 0.0020284 k( 309) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0020284 k( 310) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020284 k( 311) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0020284 k( 312) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020284 k( 313) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0020284 k( 314) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0020284 k( 315) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0020284 k( 316) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0020284 k( 317) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020284 k( 318) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020284 k( 319) = ( 0.3285024 0.3285024 0.5000000), wk = 0.0020284 k( 320) = ( 0.3236715 0.3236715 0.5000000), wk = 0.0020284 k( 321) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0020284 k( 322) = ( 0.3140097 0.3140097 0.5000000), wk = 0.0020284 k( 323) = ( 0.3091787 0.3091787 0.5000000), wk = 0.0020284 k( 324) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0020284 k( 325) = ( 0.2995169 0.2995169 0.5000000), wk = 0.0020284 k( 326) = ( 0.2946860 0.2946860 0.5000000), wk = 0.0020284 k( 327) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0020284 k( 328) = ( 0.2850241 0.2850241 0.5000000), wk = 0.0020284 k( 329) = ( 0.2801932 0.2801932 0.5000000), wk = 0.0020284 k( 330) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0020284 k( 331) = ( 0.2705314 0.2705314 0.5000000), wk = 0.0020284 k( 332) = ( 0.2657005 0.2657005 0.5000000), wk = 0.0020284 k( 333) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0020284 k( 334) = ( 0.2560386 0.2560386 0.5000000), wk = 0.0020284 k( 335) = ( 0.2512077 0.2512077 0.5000000), wk = 0.0020284 k( 336) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0020284 k( 337) = ( 0.2415459 0.2415459 0.5000000), wk = 0.0020284 k( 338) = ( 0.2367150 0.2367150 0.5000000), wk = 0.0020284 k( 339) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0020284 k( 340) = ( 0.2270531 0.2270531 0.5000000), wk = 0.0020284 k( 341) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0020284 k( 342) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0020284 k( 343) = ( 0.2125604 0.2125604 0.5000000), wk = 0.0020284 k( 344) = ( 0.2077295 0.2077295 0.5000000), wk = 0.0020284 k( 345) = ( 0.2028986 0.2028985 0.5000000), wk = 0.0020284 k( 346) = ( 0.1980676 0.1980676 0.5000000), wk = 0.0020284 k( 347) = ( 0.1932367 0.1932367 0.5000000), wk = 0.0020284 k( 348) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0020284 k( 349) = ( 0.1835749 0.1835749 0.5000000), wk = 0.0020284 k( 350) = ( 0.1787440 0.1787440 0.5000000), wk = 0.0020284 k( 351) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0020284 k( 352) = ( 0.1690821 0.1690821 0.5000000), wk = 0.0020284 k( 353) = ( 0.1642512 0.1642512 0.5000000), wk = 0.0020284 k( 354) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0020284 k( 355) = ( 0.1545894 0.1545894 0.5000000), wk = 0.0020284 k( 356) = ( 0.1497584 0.1497584 0.5000000), wk = 0.0020284 k( 357) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0020284 k( 358) = ( 0.1400966 0.1400966 0.5000000), wk = 0.0020284 k( 359) = ( 0.1352657 0.1352657 0.5000000), wk = 0.0020284 k( 360) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0020284 k( 361) = ( 0.1256039 0.1256039 0.5000000), wk = 0.0020284 k( 362) = ( 0.1207730 0.1207729 0.5000000), wk = 0.0020284 k( 363) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0020284 k( 364) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0020284 k( 365) = ( 0.1062802 0.1062802 0.5000000), wk = 0.0020284 k( 366) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0020284 k( 367) = ( 0.0966184 0.0966184 0.5000000), wk = 0.0020284 k( 368) = ( 0.0917874 0.0917874 0.5000000), wk = 0.0020284 k( 369) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0020284 k( 370) = ( 0.0821256 0.0821256 0.5000000), wk = 0.0020284 k( 371) = ( 0.0772947 0.0772947 0.5000000), wk = 0.0020284 k( 372) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0020284 k( 373) = ( 0.0676328 0.0676328 0.5000000), wk = 0.0020284 k( 374) = ( 0.0628019 0.0628019 0.5000000), wk = 0.0020284 k( 375) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0020284 k( 376) = ( 0.0531401 0.0531401 0.5000000), wk = 0.0020284 k( 377) = ( 0.0483092 0.0483092 0.5000000), wk = 0.0020284 k( 378) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0020284 k( 379) = ( 0.0386473 0.0386473 0.5000000), wk = 0.0020284 k( 380) = ( 0.0338164 0.0338164 0.5000000), wk = 0.0020284 k( 381) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0020284 k( 382) = ( 0.0241546 0.0241546 0.5000000), wk = 0.0020284 k( 383) = ( 0.0193237 0.0193237 0.5000000), wk = 0.0020284 k( 384) = ( 0.0144928 0.0144927 0.5000000), wk = 0.0020284 k( 385) = ( 0.0096618 0.0096618 0.5000000), wk = 0.0020284 k( 386) = ( 0.0048309 0.0048309 0.5000000), wk = 0.0020284 k( 387) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020284 k( 388) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020284 k( 389) = ( 0.5000000 -0.0000000 0.4903846), wk = 0.0020284 k( 390) = ( 0.5000000 -0.0000000 0.4807692), wk = 0.0020284 k( 391) = ( 0.5000000 -0.0000000 0.4711538), wk = 0.0020284 k( 392) = ( 0.5000000 -0.0000000 0.4615385), wk = 0.0020284 k( 393) = ( 0.5000000 -0.0000000 0.4519231), wk = 0.0020284 k( 394) = ( 0.5000000 -0.0000000 0.4423077), wk = 0.0020284 k( 395) = ( 0.5000000 -0.0000000 0.4326923), wk = 0.0020284 k( 396) = ( 0.5000000 -0.0000000 0.4230769), wk = 0.0020284 k( 397) = ( 0.5000000 -0.0000000 0.4134615), wk = 0.0020284 k( 398) = ( 0.5000000 -0.0000000 0.4038462), wk = 0.0020284 k( 399) = ( 0.5000000 -0.0000000 0.3942308), wk = 0.0020284 k( 400) = ( 0.5000000 -0.0000000 0.3846154), wk = 0.0020284 k( 401) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0020284 k( 402) = ( 0.5000000 -0.0000000 0.3653846), wk = 0.0020284 k( 403) = ( 0.5000000 -0.0000000 0.3557692), wk = 0.0020284 k( 404) = ( 0.5000000 -0.0000000 0.3461538), wk = 0.0020284 k( 405) = ( 0.5000000 -0.0000000 0.3365385), wk = 0.0020284 k( 406) = ( 0.5000000 -0.0000000 0.3269231), wk = 0.0020284 k( 407) = ( 0.5000000 -0.0000000 0.3173077), wk = 0.0020284 k( 408) = ( 0.5000000 -0.0000000 0.3076923), wk = 0.0020284 k( 409) = ( 0.5000000 -0.0000000 0.2980769), wk = 0.0020284 k( 410) = ( 0.5000000 -0.0000000 0.2884615), wk = 0.0020284 k( 411) = ( 0.5000000 -0.0000000 0.2788462), wk = 0.0020284 k( 412) = ( 0.5000000 -0.0000000 0.2692308), wk = 0.0020284 k( 413) = ( 0.5000000 -0.0000000 0.2596154), wk = 0.0020284 k( 414) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0020284 k( 415) = ( 0.5000000 -0.0000000 0.2403846), wk = 0.0020284 k( 416) = ( 0.5000000 -0.0000000 0.2307692), wk = 0.0020284 k( 417) = ( 0.5000000 -0.0000000 0.2211539), wk = 0.0020284 k( 418) = ( 0.5000000 -0.0000000 0.2115385), wk = 0.0020284 k( 419) = ( 0.5000000 -0.0000000 0.2019231), wk = 0.0020284 k( 420) = ( 0.5000000 -0.0000000 0.1923077), wk = 0.0020284 k( 421) = ( 0.5000000 -0.0000000 0.1826923), wk = 0.0020284 k( 422) = ( 0.5000000 -0.0000000 0.1730769), wk = 0.0020284 k( 423) = ( 0.5000000 -0.0000000 0.1634615), wk = 0.0020284 k( 424) = ( 0.5000000 -0.0000000 0.1538461), wk = 0.0020284 k( 425) = ( 0.5000000 -0.0000000 0.1442308), wk = 0.0020284 k( 426) = ( 0.5000000 -0.0000000 0.1346154), wk = 0.0020284 k( 427) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0020284 k( 428) = ( 0.5000000 -0.0000000 0.1153846), wk = 0.0020284 k( 429) = ( 0.5000000 -0.0000000 0.1057692), wk = 0.0020284 k( 430) = ( 0.5000000 -0.0000000 0.0961538), wk = 0.0020284 k( 431) = ( 0.5000000 -0.0000000 0.0865385), wk = 0.0020284 k( 432) = ( 0.5000000 -0.0000000 0.0769231), wk = 0.0020284 k( 433) = ( 0.5000000 -0.0000000 0.0673077), wk = 0.0020284 k( 434) = ( 0.5000000 -0.0000000 0.0576923), wk = 0.0020284 k( 435) = ( 0.5000000 -0.0000000 0.0480769), wk = 0.0020284 k( 436) = ( 0.5000000 -0.0000000 0.0384615), wk = 0.0020284 k( 437) = ( 0.5000000 -0.0000000 0.0288461), wk = 0.0020284 k( 438) = ( 0.5000000 -0.0000000 0.0192308), wk = 0.0020284 k( 439) = ( 0.5000000 -0.0000000 0.0096154), wk = 0.0020284 k( 440) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020284 k( 441) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020284 k( 442) = ( 0.3333333 0.3333333 0.0096154), wk = 0.0020284 k( 443) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0020284 k( 444) = ( 0.3333333 0.3333333 0.0288462), wk = 0.0020284 k( 445) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0020284 k( 446) = ( 0.3333333 0.3333333 0.0480769), wk = 0.0020284 k( 447) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0020284 k( 448) = ( 0.3333333 0.3333333 0.0673077), wk = 0.0020284 k( 449) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0020284 k( 450) = ( 0.3333333 0.3333333 0.0865385), wk = 0.0020284 k( 451) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0020284 k( 452) = ( 0.3333333 0.3333333 0.1057692), wk = 0.0020284 k( 453) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0020284 k( 454) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020284 k( 455) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0020284 k( 456) = ( 0.3333333 0.3333333 0.1442308), wk = 0.0020284 k( 457) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0020284 k( 458) = ( 0.3333333 0.3333333 0.1634615), wk = 0.0020284 k( 459) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0020284 k( 460) = ( 0.3333333 0.3333333 0.1826923), wk = 0.0020284 k( 461) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0020284 k( 462) = ( 0.3333333 0.3333333 0.2019231), wk = 0.0020284 k( 463) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0020284 k( 464) = ( 0.3333333 0.3333333 0.2211538), wk = 0.0020284 k( 465) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0020284 k( 466) = ( 0.3333333 0.3333333 0.2403846), wk = 0.0020284 k( 467) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020284 k( 468) = ( 0.3333333 0.3333333 0.2596154), wk = 0.0020284 k( 469) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0020284 k( 470) = ( 0.3333333 0.3333333 0.2788462), wk = 0.0020284 k( 471) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0020284 k( 472) = ( 0.3333333 0.3333333 0.2980769), wk = 0.0020284 k( 473) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0020284 k( 474) = ( 0.3333333 0.3333333 0.3173077), wk = 0.0020284 k( 475) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0020284 k( 476) = ( 0.3333333 0.3333333 0.3365385), wk = 0.0020284 k( 477) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0020284 k( 478) = ( 0.3333333 0.3333333 0.3557692), wk = 0.0020284 k( 479) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0020284 k( 480) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020284 k( 481) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0020284 k( 482) = ( 0.3333333 0.3333333 0.3942308), wk = 0.0020284 k( 483) = ( 0.3333333 0.3333333 0.4038461), wk = 0.0020284 k( 484) = ( 0.3333333 0.3333333 0.4134615), wk = 0.0020284 k( 485) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0020284 k( 486) = ( 0.3333333 0.3333333 0.4326923), wk = 0.0020284 k( 487) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0020284 k( 488) = ( 0.3333333 0.3333333 0.4519231), wk = 0.0020284 k( 489) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0020284 k( 490) = ( 0.3333333 0.3333333 0.4711538), wk = 0.0020284 k( 491) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0020284 k( 492) = ( 0.3333333 0.3333333 0.4903846), wk = 0.0020284 k( 493) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020284 Dense grid: 16353 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 7831 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 62, 28) NL pseudopotentials 0.03 Mb ( 31, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 457) G-vector shells 0.00 Mb ( 215) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 62, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 62, 2, 28) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./B2Mo.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 1.9 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.1 secs Computing kpt #: 8 total cpu time spent up to now is 2.2 secs Computing kpt #: 9 total cpu time spent up to now is 2.3 secs Computing kpt #: 10 total cpu time spent up to now is 2.4 secs Computing kpt #: 11 total cpu time spent up to now is 2.5 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.6 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.1 secs Computing kpt #: 19 total cpu time spent up to now is 3.2 secs Computing kpt #: 20 total cpu time spent up to now is 3.3 secs Computing kpt #: 21 total cpu time spent up to now is 3.3 secs Computing kpt #: 22 total cpu time spent up to now is 3.4 secs Computing kpt #: 23 total cpu time spent up to now is 3.5 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.7 secs Computing kpt #: 26 total cpu time spent up to now is 3.8 secs Computing kpt #: 27 total cpu time spent up to now is 3.9 secs Computing kpt #: 28 total cpu time spent up to now is 4.0 secs Computing kpt #: 29 total cpu time spent up to now is 4.1 secs Computing kpt #: 30 total cpu time spent up to now is 4.2 secs Computing kpt #: 31 total cpu time spent up to now is 4.3 secs Computing kpt #: 32 total cpu time spent up to now is 4.4 secs Computing kpt #: 33 total cpu time spent up to now is 4.4 secs Computing kpt #: 34 total cpu time spent up to now is 4.5 secs Computing kpt #: 35 total cpu time spent up to now is 4.6 secs Computing kpt #: 36 total cpu time spent up to now is 4.7 secs Computing kpt #: 37 total cpu time spent up to now is 4.8 secs Computing kpt #: 38 total cpu time spent up to now is 4.9 secs Computing kpt #: 39 total cpu time spent up to now is 5.0 secs Computing kpt #: 40 total cpu time spent up to now is 5.1 secs Computing kpt #: 41 total cpu time spent up to now is 5.2 secs Computing kpt #: 42 total cpu time spent up to now is 5.3 secs Computing kpt #: 43 total cpu time spent up to now is 5.4 secs Computing kpt #: 44 total cpu time spent up to now is 5.4 secs Computing kpt #: 45 total cpu time spent up to now is 5.5 secs Computing kpt #: 46 total cpu time spent up to now is 5.6 secs Computing kpt #: 47 total cpu time spent up to now is 5.7 secs Computing kpt #: 48 total cpu time spent up to now is 5.8 secs Computing kpt #: 49 total cpu time spent up to now is 5.9 secs Computing kpt #: 50 total cpu time spent up to now is 6.0 secs Computing kpt #: 51 total cpu time spent up to now is 6.1 secs Computing kpt #: 52 total cpu time spent up to now is 6.2 secs Computing kpt #: 53 total cpu time spent up to now is 6.4 secs Computing kpt #: 54 total cpu time spent up to now is 6.5 secs Computing kpt #: 55 total cpu time spent up to now is 6.6 secs Computing kpt #: 56 total cpu time spent up to now is 6.7 secs Computing kpt #: 57 total cpu time spent up to now is 6.8 secs Computing kpt #: 58 total cpu time spent up to now is 6.9 secs Computing kpt #: 59 total cpu time spent up to now is 7.0 secs Computing kpt #: 60 total cpu time spent up to now is 7.1 secs Computing kpt #: 61 total cpu time spent up to now is 7.2 secs Computing kpt #: 62 total cpu time spent up to now is 7.3 secs Computing kpt #: 63 total cpu time spent up to now is 7.4 secs Computing kpt #: 64 total cpu time spent up to now is 7.5 secs Computing kpt #: 65 total cpu time spent up to now is 7.6 secs Computing kpt #: 66 total cpu time spent up to now is 7.7 secs Computing kpt #: 67 total cpu time spent up to now is 7.8 secs Computing kpt #: 68 total cpu time spent up to now is 7.9 secs Computing kpt #: 69 total cpu time spent up to now is 8.0 secs Computing kpt #: 70 total cpu time spent up to now is 8.1 secs Computing kpt #: 71 total cpu time spent up to now is 8.2 secs Computing kpt #: 72 total cpu time spent up to now is 8.3 secs Computing kpt #: 73 total cpu time spent up to now is 8.4 secs Computing kpt #: 74 total cpu time spent up to now is 8.5 secs Computing kpt #: 75 total cpu time spent up to now is 8.6 secs Computing kpt #: 76 total cpu time spent up to now is 8.7 secs Computing kpt #: 77 total cpu time spent up to now is 8.9 secs Computing kpt #: 78 total cpu time spent up to now is 9.0 secs Computing kpt #: 79 total cpu time spent up to now is 9.1 secs Computing kpt #: 80 total cpu time spent up to now is 9.2 secs Computing kpt #: 81 total cpu time spent up to now is 9.3 secs Computing kpt #: 82 total cpu time spent up to now is 9.4 secs Computing kpt #: 83 total cpu time spent up to now is 9.4 secs Computing kpt #: 84 total cpu time spent up to now is 9.5 secs Computing kpt #: 85 total cpu time spent up to now is 9.6 secs Computing kpt #: 86 total cpu time spent up to now is 9.7 secs Computing kpt #: 87 total cpu time spent up to now is 9.8 secs Computing kpt #: 88 total cpu time spent up to now is 9.8 secs Computing kpt #: 89 total cpu time spent up to now is 9.9 secs Computing kpt #: 90 total cpu time spent up to now is 10.0 secs Computing kpt #: 91 total cpu time spent up to now is 10.1 secs Computing kpt #: 92 total cpu time spent up to now is 10.1 secs Computing kpt #: 93 total cpu time spent up to now is 10.2 secs Computing kpt #: 94 total cpu time spent up to now is 10.3 secs Computing kpt #: 95 total cpu time spent up to now is 10.4 secs Computing kpt #: 96 total cpu time spent up to now is 10.4 secs Computing kpt #: 97 total cpu time spent up to now is 10.5 secs Computing kpt #: 98 total cpu time spent up to now is 10.6 secs Computing kpt #: 99 total cpu time spent up to now is 10.7 secs Computing kpt #: 100 total cpu time spent up to now is 10.7 secs Computing kpt #: 101 total cpu time spent up to now is 10.8 secs Computing kpt #: 102 total cpu time spent up to now is 10.9 secs Computing kpt #: 103 total cpu time spent up to now is 11.0 secs Computing kpt #: 104 total cpu time spent up to now is 11.1 secs Computing kpt #: 105 total cpu time spent up to now is 11.1 secs Computing kpt #: 106 total cpu time spent up to now is 11.2 secs Computing kpt #: 107 total cpu time spent up to now is 11.3 secs Computing kpt #: 108 total cpu time spent up to now is 11.4 secs Computing kpt #: 109 total cpu time spent up to now is 11.4 secs Computing kpt #: 110 total cpu time spent up to now is 11.5 secs Computing kpt #: 111 total cpu time spent up to now is 11.6 secs Computing kpt #: 112 total cpu time spent up to now is 11.7 secs Computing kpt #: 113 total cpu time spent up to now is 11.7 secs Computing kpt #: 114 total cpu time spent up to now is 11.8 secs Computing kpt #: 115 total cpu time spent up to now is 11.9 secs Computing kpt #: 116 total cpu time spent up to now is 12.0 secs Computing kpt #: 117 total cpu time spent up to now is 12.1 secs Computing kpt #: 118 total cpu time spent up to now is 12.1 secs Computing kpt #: 119 total cpu time spent up to now is 12.2 secs Computing kpt #: 120 total cpu time spent up to now is 12.3 secs Computing kpt #: 121 total cpu time spent up to now is 12.4 secs Computing kpt #: 122 total cpu time spent up to now is 12.4 secs Computing kpt #: 123 total cpu time spent up to now is 12.5 secs Computing kpt #: 124 total cpu time spent up to now is 12.6 secs Computing kpt #: 125 total cpu time spent up to now is 12.7 secs Computing kpt #: 126 total cpu time spent up to now is 12.7 secs Computing kpt #: 127 total cpu time spent up to now is 12.8 secs Computing kpt #: 128 total cpu time spent up to now is 12.9 secs Computing kpt #: 129 total cpu time spent up to now is 13.0 secs Computing kpt #: 130 total cpu time spent up to now is 13.0 secs Computing kpt #: 131 total cpu time spent up to now is 13.1 secs Computing kpt #: 132 total cpu time spent up to now is 13.2 secs Computing kpt #: 133 total cpu time spent up to now is 13.3 secs Computing kpt #: 134 total cpu time spent up to now is 13.3 secs Computing kpt #: 135 total cpu time spent up to now is 13.4 secs Computing kpt #: 136 total cpu time spent up to now is 13.5 secs Computing kpt #: 137 total cpu time spent up to now is 13.6 secs Computing kpt #: 138 total cpu time spent up to now is 13.7 secs Computing kpt #: 139 total cpu time spent up to now is 13.7 secs Computing kpt #: 140 total cpu time spent up to now is 13.8 secs Computing kpt #: 141 total cpu time spent up to now is 13.9 secs Computing kpt #: 142 total cpu time spent up to now is 14.0 secs Computing kpt #: 143 total cpu time spent up to now is 14.1 secs Computing kpt #: 144 total cpu time spent up to now is 14.2 secs Computing kpt #: 145 total cpu time spent up to now is 14.3 secs Computing kpt #: 146 total cpu time spent up to now is 14.4 secs Computing kpt #: 147 total cpu time spent up to now is 14.5 secs Computing kpt #: 148 total cpu time spent up to now is 14.6 secs Computing kpt #: 149 total cpu time spent up to now is 14.8 secs Computing kpt #: 150 total cpu time spent up to now is 14.9 secs Computing kpt #: 151 total cpu time spent up to now is 14.9 secs Computing kpt #: 152 total cpu time spent up to now is 15.0 secs Computing kpt #: 153 total cpu time spent up to now is 15.1 secs Computing kpt #: 154 total cpu time spent up to now is 15.2 secs Computing kpt #: 155 total cpu time spent up to now is 15.3 secs Computing kpt #: 156 total cpu time spent up to now is 15.4 secs Computing kpt #: 157 total cpu time spent up to now is 15.5 secs Computing kpt #: 158 total cpu time spent up to now is 15.5 secs Computing kpt #: 159 total cpu time spent up to now is 15.6 secs Computing kpt #: 160 total cpu time spent up to now is 15.7 secs Computing kpt #: 161 total cpu time spent up to now is 15.8 secs Computing kpt #: 162 total cpu time spent up to now is 15.9 secs Computing kpt #: 163 total cpu time spent up to now is 16.0 secs Computing kpt #: 164 total cpu time spent up to now is 16.1 secs Computing kpt #: 165 total cpu time spent up to now is 16.2 secs Computing kpt #: 166 total cpu time spent up to now is 16.2 secs Computing kpt #: 167 total cpu time spent up to now is 16.3 secs Computing kpt #: 168 total cpu time spent up to now is 16.4 secs Computing kpt #: 169 total cpu time spent up to now is 16.5 secs Computing kpt #: 170 total cpu time spent up to now is 16.6 secs Computing kpt #: 171 total cpu time spent up to now is 16.7 secs Computing kpt #: 172 total cpu time spent up to now is 16.8 secs Computing kpt #: 173 total cpu time spent up to now is 16.9 secs Computing kpt #: 174 total cpu time spent up to now is 16.9 secs Computing kpt #: 175 total cpu time spent up to now is 17.0 secs Computing kpt #: 176 total cpu time spent up to now is 17.1 secs Computing kpt #: 177 total cpu time spent up to now is 17.2 secs Computing kpt #: 178 total cpu time spent up to now is 17.3 secs Computing kpt #: 179 total cpu time spent up to now is 17.4 secs Computing kpt #: 180 total cpu time spent up to now is 17.4 secs Computing kpt #: 181 total cpu time spent up to now is 17.5 secs Computing kpt #: 182 total cpu time spent up to now is 17.6 secs Computing kpt #: 183 total cpu time spent up to now is 17.7 secs Computing kpt #: 184 total cpu time spent up to now is 17.8 secs Computing kpt #: 185 total cpu time spent up to now is 17.8 secs Computing kpt #: 186 total cpu time spent up to now is 17.9 secs Computing kpt #: 187 total cpu time spent up to now is 18.0 secs Computing kpt #: 188 total cpu time spent up to now is 18.1 secs Computing kpt #: 189 total cpu time spent up to now is 18.2 secs Computing kpt #: 190 total cpu time spent up to now is 18.2 secs Computing kpt #: 191 total cpu time spent up to now is 18.3 secs Computing kpt #: 192 total cpu time spent up to now is 18.4 secs Computing kpt #: 193 total cpu time spent up to now is 18.5 secs Computing kpt #: 194 total cpu time spent up to now is 18.5 secs Computing kpt #: 195 total cpu time spent up to now is 18.6 secs Computing kpt #: 196 total cpu time spent up to now is 18.7 secs Computing kpt #: 197 total cpu time spent up to now is 18.8 secs Computing kpt #: 198 total cpu time spent up to now is 18.8 secs Computing kpt #: 199 total cpu time spent up to now is 18.9 secs Computing kpt #: 200 total cpu time spent up to now is 19.0 secs Computing kpt #: 201 total cpu time spent up to now is 19.1 secs Computing kpt #: 202 total cpu time spent up to now is 19.1 secs Computing kpt #: 203 total cpu time spent up to now is 19.2 secs Computing kpt #: 204 total cpu time spent up to now is 19.3 secs Computing kpt #: 205 total cpu time spent up to now is 19.4 secs Computing kpt #: 206 total cpu time spent up to now is 19.4 secs Computing kpt #: 207 total cpu time spent up to now is 19.5 secs Computing kpt #: 208 total cpu time spent up to now is 19.6 secs Computing kpt #: 209 total cpu time spent up to now is 19.6 secs Computing kpt #: 210 total cpu time spent up to now is 19.7 secs Computing kpt #: 211 total cpu time spent up to now is 19.8 secs Computing kpt #: 212 total cpu time spent up to now is 19.9 secs Computing kpt #: 213 total cpu time spent up to now is 19.9 secs Computing kpt #: 214 total cpu time spent up to now is 20.0 secs Computing kpt #: 215 total cpu time spent up to now is 20.1 secs Computing kpt #: 216 total cpu time spent up to now is 20.1 secs Computing kpt #: 217 total cpu time spent up to now is 20.2 secs Computing kpt #: 218 total cpu time spent up to now is 20.3 secs Computing kpt #: 219 total cpu time spent up to now is 20.3 secs Computing kpt #: 220 total cpu time spent up to now is 20.4 secs Computing kpt #: 221 total cpu time spent up to now is 20.5 secs Computing kpt #: 222 total cpu time spent up to now is 20.5 secs Computing kpt #: 223 total cpu time spent up to now is 20.6 secs Computing kpt #: 224 total cpu time spent up to now is 20.7 secs Computing kpt #: 225 total cpu time spent up to now is 20.7 secs Computing kpt #: 226 total cpu time spent up to now is 20.8 secs Computing kpt #: 227 total cpu time spent up to now is 20.8 secs Computing kpt #: 228 total cpu time spent up to now is 20.9 secs Computing kpt #: 229 total cpu time spent up to now is 21.0 secs Computing kpt #: 230 total cpu time spent up to now is 21.0 secs Computing kpt #: 231 total cpu time spent up to now is 21.1 secs Computing kpt #: 232 total cpu time spent up to now is 21.2 secs Computing kpt #: 233 total cpu time spent up to now is 21.3 secs Computing kpt #: 234 total cpu time spent up to now is 21.3 secs Computing kpt #: 235 total cpu time spent up to now is 21.4 secs Computing kpt #: 236 total cpu time spent up to now is 21.5 secs Computing kpt #: 237 total cpu time spent up to now is 21.5 secs Computing kpt #: 238 total cpu time spent up to now is 21.6 secs Computing kpt #: 239 total cpu time spent up to now is 21.7 secs Computing kpt #: 240 total cpu time spent up to now is 21.8 secs Computing kpt #: 241 total cpu time spent up to now is 21.8 secs Computing kpt #: 242 total cpu time spent up to now is 21.9 secs Computing kpt #: 243 total cpu time spent up to now is 22.0 secs Computing kpt #: 244 total cpu time spent up to now is 22.1 secs Computing kpt #: 245 total cpu time spent up to now is 22.2 secs Computing kpt #: 246 total cpu time spent up to now is 22.2 secs Computing kpt #: 247 total cpu time spent up to now is 22.3 secs Computing kpt #: 248 total cpu time spent up to now is 22.4 secs Computing kpt #: 249 total cpu time spent up to now is 22.5 secs Computing kpt #: 250 total cpu time spent up to now is 22.6 secs Computing kpt #: 251 total cpu time spent up to now is 22.6 secs Computing kpt #: 252 total cpu time spent up to now is 22.7 secs Computing kpt #: 253 total cpu time spent up to now is 22.8 secs Computing kpt #: 254 total cpu time spent up to now is 22.9 secs Computing kpt #: 255 total cpu time spent up to now is 23.0 secs Computing kpt #: 256 total cpu time spent up to now is 23.1 secs Computing kpt #: 257 total cpu time spent up to now is 23.2 secs Computing kpt #: 258 total cpu time spent up to now is 23.2 secs Computing kpt #: 259 total cpu time spent up to now is 23.3 secs Computing kpt #: 260 total cpu time spent up to now is 23.4 secs Computing kpt #: 261 total cpu time spent up to now is 23.5 secs Computing kpt #: 262 total cpu time spent up to now is 23.6 secs Computing kpt #: 263 total cpu time spent up to now is 23.7 secs Computing kpt #: 264 total cpu time spent up to now is 23.8 secs Computing kpt #: 265 total cpu time spent up to now is 23.9 secs Computing kpt #: 266 total cpu time spent up to now is 24.0 secs Computing kpt #: 267 total cpu time spent up to now is 24.1 secs Computing kpt #: 268 total cpu time spent up to now is 24.2 secs Computing kpt #: 269 total cpu time spent up to now is 24.3 secs Computing kpt #: 270 total cpu time spent up to now is 24.4 secs Computing kpt #: 271 total cpu time spent up to now is 24.5 secs Computing kpt #: 272 total cpu time spent up to now is 24.6 secs Computing kpt #: 273 total cpu time spent up to now is 24.7 secs Computing kpt #: 274 total cpu time spent up to now is 24.8 secs Computing kpt #: 275 total cpu time spent up to now is 24.9 secs Computing kpt #: 276 total cpu time spent up to now is 25.0 secs Computing kpt #: 277 total cpu time spent up to now is 25.0 secs Computing kpt #: 278 total cpu time spent up to now is 25.1 secs Computing kpt #: 279 total cpu time spent up to now is 25.2 secs Computing kpt #: 280 total cpu time spent up to now is 25.3 secs Computing kpt #: 281 total cpu time spent up to now is 25.4 secs Computing kpt #: 282 total cpu time spent up to now is 25.5 secs Computing kpt #: 283 total cpu time spent up to now is 25.6 secs Computing kpt #: 284 total cpu time spent up to now is 25.7 secs Computing kpt #: 285 total cpu time spent up to now is 25.8 secs Computing kpt #: 286 total cpu time spent up to now is 25.9 secs Computing kpt #: 287 total cpu time spent up to now is 26.0 secs Computing kpt #: 288 total cpu time spent up to now is 26.1 secs Computing kpt #: 289 total cpu time spent up to now is 26.2 secs Computing kpt #: 290 total cpu time spent up to now is 26.2 secs Computing kpt #: 291 total cpu time spent up to now is 26.3 secs Computing kpt #: 292 total cpu time spent up to now is 26.4 secs Computing kpt #: 293 total cpu time spent up to now is 26.5 secs Computing kpt #: 294 total cpu time spent up to now is 26.6 secs Computing kpt #: 295 total cpu time spent up to now is 26.7 secs Computing kpt #: 296 total cpu time spent up to now is 26.8 secs Computing kpt #: 297 total cpu time spent up to now is 26.9 secs Computing kpt #: 298 total cpu time spent up to now is 27.0 secs Computing kpt #: 299 total cpu time spent up to now is 27.1 secs Computing kpt #: 300 total cpu time spent up to now is 27.1 secs Computing kpt #: 301 total cpu time spent up to now is 27.2 secs Computing kpt #: 302 total cpu time spent up to now is 27.3 secs Computing kpt #: 303 total cpu time spent up to now is 27.4 secs Computing kpt #: 304 total cpu time spent up to now is 27.5 secs Computing kpt #: 305 total cpu time spent up to now is 27.5 secs Computing kpt #: 306 total cpu time spent up to now is 27.6 secs Computing kpt #: 307 total cpu time spent up to now is 27.7 secs Computing kpt #: 308 total cpu time spent up to now is 27.8 secs Computing kpt #: 309 total cpu time spent up to now is 27.9 secs Computing kpt #: 310 total cpu time spent up to now is 27.9 secs Computing kpt #: 311 total cpu time spent up to now is 28.0 secs Computing kpt #: 312 total cpu time spent up to now is 28.1 secs Computing kpt #: 313 total cpu time spent up to now is 28.2 secs Computing kpt #: 314 total cpu time spent up to now is 28.3 secs Computing kpt #: 315 total cpu time spent up to now is 28.3 secs Computing kpt #: 316 total cpu time spent up to now is 28.4 secs Computing kpt #: 317 total cpu time spent up to now is 28.5 secs Computing kpt #: 318 total cpu time spent up to now is 28.6 secs Computing kpt #: 319 total cpu time spent up to now is 28.7 secs Computing kpt #: 320 total cpu time spent up to now is 28.7 secs Computing kpt #: 321 total cpu time spent up to now is 28.8 secs Computing kpt #: 322 total cpu time spent up to now is 28.9 secs Computing kpt #: 323 total cpu time spent up to now is 29.0 secs Computing kpt #: 324 total cpu time spent up to now is 29.0 secs Computing kpt #: 325 total cpu time spent up to now is 29.1 secs Computing kpt #: 326 total cpu time spent up to now is 29.2 secs Computing kpt #: 327 total cpu time spent up to now is 29.3 secs Computing kpt #: 328 total cpu time spent up to now is 29.3 secs Computing kpt #: 329 total cpu time spent up to now is 29.4 secs Computing kpt #: 330 total cpu time spent up to now is 29.5 secs Computing kpt #: 331 total cpu time spent up to now is 29.6 secs Computing kpt #: 332 total cpu time spent up to now is 29.7 secs Computing kpt #: 333 total cpu time spent up to now is 29.7 secs Computing kpt #: 334 total cpu time spent up to now is 29.8 secs Computing kpt #: 335 total cpu time spent up to now is 29.9 secs Computing kpt #: 336 total cpu time spent up to now is 30.0 secs Computing kpt #: 337 total cpu time spent up to now is 30.1 secs Computing kpt #: 338 total cpu time spent up to now is 30.1 secs Computing kpt #: 339 total cpu time spent up to now is 30.2 secs Computing kpt #: 340 total cpu time spent up to now is 30.3 secs Computing kpt #: 341 total cpu time spent up to now is 30.4 secs Computing kpt #: 342 total cpu time spent up to now is 30.5 secs Computing kpt #: 343 total cpu time spent up to now is 30.6 secs Computing kpt #: 344 total cpu time spent up to now is 30.7 secs Computing kpt #: 345 total cpu time spent up to now is 30.7 secs Computing kpt #: 346 total cpu time spent up to now is 30.8 secs Computing kpt #: 347 total cpu time spent up to now is 30.9 secs Computing kpt #: 348 total cpu time spent up to now is 31.0 secs Computing kpt #: 349 total cpu time spent up to now is 31.1 secs Computing kpt #: 350 total cpu time spent up to now is 31.2 secs Computing kpt #: 351 total cpu time spent up to now is 31.3 secs Computing kpt #: 352 total cpu time spent up to now is 31.4 secs Computing kpt #: 353 total cpu time spent up to now is 31.5 secs Computing kpt #: 354 total cpu time spent up to now is 31.5 secs Computing kpt #: 355 total cpu time spent up to now is 31.6 secs Computing kpt #: 356 total cpu time spent up to now is 31.7 secs Computing kpt #: 357 total cpu time spent up to now is 31.8 secs Computing kpt #: 358 total cpu time spent up to now is 31.9 secs Computing kpt #: 359 total cpu time spent up to now is 31.9 secs Computing kpt #: 360 total cpu time spent up to now is 32.0 secs Computing kpt #: 361 total cpu time spent up to now is 32.1 secs Computing kpt #: 362 total cpu time spent up to now is 32.2 secs Computing kpt #: 363 total cpu time spent up to now is 32.2 secs Computing kpt #: 364 total cpu time spent up to now is 32.3 secs Computing kpt #: 365 total cpu time spent up to now is 32.4 secs Computing kpt #: 366 total cpu time spent up to now is 32.5 secs Computing kpt #: 367 total cpu time spent up to now is 32.5 secs Computing kpt #: 368 total cpu time spent up to now is 32.6 secs Computing kpt #: 369 total cpu time spent up to now is 32.7 secs Computing kpt #: 370 total cpu time spent up to now is 32.7 secs Computing kpt #: 371 total cpu time spent up to now is 32.8 secs Computing kpt #: 372 total cpu time spent up to now is 32.9 secs Computing kpt #: 373 total cpu time spent up to now is 33.0 secs Computing kpt #: 374 total cpu time spent up to now is 33.0 secs Computing kpt #: 375 total cpu time spent up to now is 33.1 secs Computing kpt #: 376 total cpu time spent up to now is 33.2 secs Computing kpt #: 377 total cpu time spent up to now is 33.2 secs Computing kpt #: 378 total cpu time spent up to now is 33.3 secs Computing kpt #: 379 total cpu time spent up to now is 33.4 secs Computing kpt #: 380 total cpu time spent up to now is 33.4 secs Computing kpt #: 381 total cpu time spent up to now is 33.5 secs Computing kpt #: 382 total cpu time spent up to now is 33.6 secs Computing kpt #: 383 total cpu time spent up to now is 33.7 secs Computing kpt #: 384 total cpu time spent up to now is 33.7 secs Computing kpt #: 385 total cpu time spent up to now is 33.8 secs Computing kpt #: 386 total cpu time spent up to now is 33.8 secs Computing kpt #: 387 total cpu time spent up to now is 33.9 secs Computing kpt #: 388 total cpu time spent up to now is 34.0 secs Computing kpt #: 389 total cpu time spent up to now is 34.1 secs Computing kpt #: 390 total cpu time spent up to now is 34.2 secs Computing kpt #: 391 total cpu time spent up to now is 34.3 secs Computing kpt #: 392 total cpu time spent up to now is 34.3 secs Computing kpt #: 393 total cpu time spent up to now is 34.4 secs Computing kpt #: 394 total cpu time spent up to now is 34.5 secs Computing kpt #: 395 total cpu time spent up to now is 34.6 secs Computing kpt #: 396 total cpu time spent up to now is 34.7 secs Computing kpt #: 397 total cpu time spent up to now is 34.7 secs Computing kpt #: 398 total cpu time spent up to now is 34.8 secs Computing kpt #: 399 total cpu time spent up to now is 34.9 secs Computing kpt #: 400 total cpu time spent up to now is 35.0 secs Computing kpt #: 401 total cpu time spent up to now is 35.1 secs Computing kpt #: 402 total cpu time spent up to now is 35.2 secs Computing kpt #: 403 total cpu time spent up to now is 35.2 secs Computing kpt #: 404 total cpu time spent up to now is 35.3 secs Computing kpt #: 405 total cpu time spent up to now is 35.4 secs Computing kpt #: 406 total cpu time spent up to now is 35.5 secs Computing kpt #: 407 total cpu time spent up to now is 35.6 secs Computing kpt #: 408 total cpu time spent up to now is 35.6 secs Computing kpt #: 409 total cpu time spent up to now is 35.7 secs Computing kpt #: 410 total cpu time spent up to now is 35.8 secs Computing kpt #: 411 total cpu time spent up to now is 35.9 secs Computing kpt #: 412 total cpu time spent up to now is 36.0 secs Computing kpt #: 413 total cpu time spent up to now is 36.0 secs Computing kpt #: 414 total cpu time spent up to now is 36.1 secs Computing kpt #: 415 total cpu time spent up to now is 36.2 secs Computing kpt #: 416 total cpu time spent up to now is 36.3 secs Computing kpt #: 417 total cpu time spent up to now is 36.4 secs Computing kpt #: 418 total cpu time spent up to now is 36.4 secs Computing kpt #: 419 total cpu time spent up to now is 36.5 secs Computing kpt #: 420 total cpu time spent up to now is 36.6 secs Computing kpt #: 421 total cpu time spent up to now is 36.7 secs Computing kpt #: 422 total cpu time spent up to now is 36.8 secs Computing kpt #: 423 total cpu time spent up to now is 36.9 secs Computing kpt #: 424 total cpu time spent up to now is 36.9 secs Computing kpt #: 425 total cpu time spent up to now is 37.0 secs Computing kpt #: 426 total cpu time spent up to now is 37.1 secs Computing kpt #: 427 total cpu time spent up to now is 37.2 secs Computing kpt #: 428 total cpu time spent up to now is 37.3 secs Computing kpt #: 429 total cpu time spent up to now is 37.4 secs Computing kpt #: 430 total cpu time spent up to now is 37.5 secs Computing kpt #: 431 total cpu time spent up to now is 37.6 secs Computing kpt #: 432 total cpu time spent up to now is 37.6 secs Computing kpt #: 433 total cpu time spent up to now is 37.7 secs Computing kpt #: 434 total cpu time spent up to now is 37.8 secs Computing kpt #: 435 total cpu time spent up to now is 37.9 secs Computing kpt #: 436 total cpu time spent up to now is 38.0 secs Computing kpt #: 437 total cpu time spent up to now is 38.1 secs Computing kpt #: 438 total cpu time spent up to now is 38.2 secs Computing kpt #: 439 total cpu time spent up to now is 38.3 secs Computing kpt #: 440 total cpu time spent up to now is 38.4 secs Computing kpt #: 441 total cpu time spent up to now is 38.5 secs Computing kpt #: 442 total cpu time spent up to now is 38.6 secs Computing kpt #: 443 total cpu time spent up to now is 38.6 secs Computing kpt #: 444 total cpu time spent up to now is 38.7 secs Computing kpt #: 445 total cpu time spent up to now is 38.8 secs Computing kpt #: 446 total cpu time spent up to now is 38.9 secs Computing kpt #: 447 total cpu time spent up to now is 39.0 secs Computing kpt #: 448 total cpu time spent up to now is 39.1 secs Computing kpt #: 449 total cpu time spent up to now is 39.2 secs Computing kpt #: 450 total cpu time spent up to now is 39.3 secs Computing kpt #: 451 total cpu time spent up to now is 39.3 secs Computing kpt #: 452 total cpu time spent up to now is 39.4 secs Computing kpt #: 453 total cpu time spent up to now is 39.5 secs Computing kpt #: 454 total cpu time spent up to now is 39.6 secs Computing kpt #: 455 total cpu time spent up to now is 39.7 secs Computing kpt #: 456 total cpu time spent up to now is 39.7 secs Computing kpt #: 457 total cpu time spent up to now is 39.8 secs Computing kpt #: 458 total cpu time spent up to now is 39.9 secs Computing kpt #: 459 total cpu time spent up to now is 40.0 secs Computing kpt #: 460 total cpu time spent up to now is 40.0 secs Computing kpt #: 461 total cpu time spent up to now is 40.1 secs Computing kpt #: 462 total cpu time spent up to now is 40.2 secs Computing kpt #: 463 total cpu time spent up to now is 40.3 secs Computing kpt #: 464 total cpu time spent up to now is 40.3 secs Computing kpt #: 465 total cpu time spent up to now is 40.4 secs Computing kpt #: 466 total cpu time spent up to now is 40.5 secs Computing kpt #: 467 total cpu time spent up to now is 40.6 secs Computing kpt #: 468 total cpu time spent up to now is 40.7 secs Computing kpt #: 469 total cpu time spent up to now is 40.7 secs Computing kpt #: 470 total cpu time spent up to now is 40.8 secs Computing kpt #: 471 total cpu time spent up to now is 40.9 secs Computing kpt #: 472 total cpu time spent up to now is 41.0 secs Computing kpt #: 473 total cpu time spent up to now is 41.0 secs Computing kpt #: 474 total cpu time spent up to now is 41.1 secs Computing kpt #: 475 total cpu time spent up to now is 41.2 secs Computing kpt #: 476 total cpu time spent up to now is 41.3 secs Computing kpt #: 477 total cpu time spent up to now is 41.3 secs Computing kpt #: 478 total cpu time spent up to now is 41.4 secs Computing kpt #: 479 total cpu time spent up to now is 41.5 secs Computing kpt #: 480 total cpu time spent up to now is 41.6 secs Computing kpt #: 481 total cpu time spent up to now is 41.6 secs Computing kpt #: 482 total cpu time spent up to now is 41.7 secs Computing kpt #: 483 total cpu time spent up to now is 41.8 secs Computing kpt #: 484 total cpu time spent up to now is 41.9 secs Computing kpt #: 485 total cpu time spent up to now is 42.0 secs Computing kpt #: 486 total cpu time spent up to now is 42.0 secs Computing kpt #: 487 total cpu time spent up to now is 42.1 secs Computing kpt #: 488 total cpu time spent up to now is 42.2 secs Computing kpt #: 489 total cpu time spent up to now is 42.3 secs Computing kpt #: 490 total cpu time spent up to now is 42.3 secs Computing kpt #: 491 total cpu time spent up to now is 42.4 secs Computing kpt #: 492 total cpu time spent up to now is 42.5 secs Computing kpt #: 493 total cpu time spent up to now is 42.6 secs ethr = 5.00E-08, avg # of iterations = 10.7 total cpu time spent up to now is 42.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4138 -16.4138 -14.0014 -14.0014 -13.8084 -13.8084 5.8458 5.8458 15.4906 15.4906 15.5544 15.5544 15.8090 15.8090 18.1965 18.1965 21.1869 21.1869 21.2911 21.2911 24.2949 24.2949 24.4258 24.4258 25.1676 25.1676 k = 0.0083 0.0048-0.0000 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4140 -16.4140 -14.0015 -14.0015 -13.8087 -13.8087 5.8473 5.8473 15.4893 15.4893 15.5532 15.5532 15.8099 15.8099 18.1918 18.1918 21.1896 21.1896 21.2940 21.2940 24.2727 24.2727 24.4035 24.4035 25.1910 25.1910 k = 0.0167 0.0096-0.0000 ( 997 PWs) bands (ev): -40.7192 -40.7192 -16.4143 -16.4143 -14.0017 -14.0017 -13.8096 -13.8096 5.8518 5.8518 15.4844 15.4844 15.5504 15.5504 15.8125 15.8125 18.1777 18.1777 21.1965 21.1965 21.3037 21.3037 24.2121 24.2121 24.3430 24.3430 25.2551 25.2551 k = 0.0250 0.0144-0.0000 ( 997 PWs) bands (ev): -40.7189 -40.7189 -16.4149 -16.4149 -14.0020 -14.0020 -13.8110 -13.8110 5.8593 5.8593 15.4742 15.4742 15.5480 15.5480 15.8168 15.8168 18.1548 18.1548 21.2039 21.2039 21.3235 21.3235 24.1252 24.1252 24.2566 24.2566 25.3465 25.3465 k = 0.0333 0.0192-0.0000 ( 999 PWs) bands (ev): -40.7186 -40.7186 -16.4158 -16.4158 -14.0026 -14.0026 -13.8131 -13.8131 5.8697 5.8697 15.4565 15.4565 15.5480 15.5480 15.8229 15.8229 18.1234 18.1234 21.2086 21.2086 21.3561 21.3561 24.0222 24.0222 24.1552 24.1552 25.4427 25.4427 k = 0.0417 0.0241-0.0000 ( 1001 PWs) bands (ev): -40.7183 -40.7183 -16.4169 -16.4169 -14.0032 -14.0032 -13.8157 -13.8157 5.8832 5.8832 15.4309 15.4309 15.5512 15.5512 15.8306 15.8306 18.0843 18.0843 21.2094 21.2094 21.4018 21.4018 23.9097 23.9097 24.0459 24.0459 25.4993 25.4993 k = 0.0500 0.0289-0.0000 ( 999 PWs) bands (ev): -40.7177 -40.7177 -16.4182 -16.4182 -14.0039 -14.0039 -13.8188 -13.8188 5.8996 5.8996 15.3979 15.3979 15.5571 15.5571 15.8399 15.8399 18.0384 18.0384 21.2069 21.2069 21.4593 21.4593 23.7913 23.7913 23.9331 23.9331 25.5580 25.5580 k = 0.0583 0.0337-0.0000 ( 995 PWs) bands (ev): -40.7169 -40.7169 -16.4196 -16.4196 -14.0048 -14.0048 -13.8225 -13.8225 5.9189 5.9189 15.3580 15.3580 15.5653 15.5653 15.8508 15.8508 17.9865 17.9865 21.2019 21.2019 21.5269 21.5269 23.6695 23.6695 23.8195 23.8195 25.6256 25.6256 k = 0.0667 0.0385-0.0000 ( 995 PWs) bands (ev): -40.7162 -40.7162 -16.4214 -16.4214 -14.0059 -14.0059 -13.8267 -13.8267 5.9412 5.9412 15.3120 15.3120 15.5755 15.5755 15.8632 15.8632 17.9294 17.9294 21.1949 21.1949 21.6030 21.6030 23.5456 23.5456 23.7068 23.7068 25.7023 25.7023 k = 0.0750 0.0433-0.0000 ( 999 PWs) bands (ev): -40.7156 -40.7156 -16.4234 -16.4234 -14.0071 -14.0071 -13.8314 -13.8314 5.9663 5.9663 15.2602 15.2602 15.5873 15.5873 15.8769 15.8769 17.8679 17.8679 21.1863 21.1863 21.6865 21.6865 23.4207 23.4207 23.5962 23.5962 25.7877 25.7877 k = 0.0833 0.0481-0.0000 ( 997 PWs) bands (ev): -40.7146 -40.7146 -16.4256 -16.4256 -14.0085 -14.0085 -13.8365 -13.8365 5.9943 5.9943 15.2032 15.2032 15.6006 15.6006 15.8919 15.8919 17.8028 17.8028 21.1763 21.1763 21.7762 21.7762 23.2957 23.2957 23.4881 23.4881 25.8814 25.8814 k = 0.0917 0.0529-0.0000 ( 997 PWs) bands (ev): -40.7136 -40.7136 -16.4281 -16.4281 -14.0101 -14.0101 -13.8420 -13.8420 6.0251 6.0251 15.1411 15.1411 15.6153 15.6153 15.9079 15.9079 17.7347 17.7347 21.1651 21.1651 21.8712 21.8712 23.1713 23.1713 23.3831 23.3831 25.9828 25.9828 k = 0.1000 0.0577-0.0000 ( 997 PWs) bands (ev): -40.7126 -40.7126 -16.4307 -16.4307 -14.0119 -14.0119 -13.8479 -13.8479 6.0587 6.0587 15.0745 15.0745 15.6313 15.6313 15.9249 15.9249 17.6644 17.6644 21.1528 21.1528 21.9706 21.9706 23.0483 23.0483 23.2814 23.2814 26.0911 26.0911 k = 0.1083 0.0625-0.0000 ( 1001 PWs) bands (ev): -40.7116 -40.7116 -16.4337 -16.4337 -14.0140 -14.0140 -13.8542 -13.8542 6.0951 6.0951 15.0037 15.0037 15.6484 15.6484 15.9427 15.9427 17.5922 17.5922 21.1394 21.1394 22.0736 22.0736 22.9273 22.9273 23.1832 23.1832 26.2054 26.2054 k = 0.1167 0.0674-0.0000 ( 1001 PWs) bands (ev): -40.7104 -40.7104 -16.4367 -16.4367 -14.0163 -14.0163 -13.8606 -13.8606 6.1343 6.1343 14.9290 14.9290 15.6666 15.6666 15.9611 15.9611 17.5188 17.5188 21.1251 21.1251 22.1793 22.1793 22.8088 22.8088 23.0885 23.0885 26.3247 26.3247 k = 0.1250 0.0722-0.0000 ( 1005 PWs) bands (ev): -40.7092 -40.7092 -16.4401 -16.4401 -14.0189 -14.0189 -13.8673 -13.8673 6.1761 6.1761 14.8507 14.8507 15.6857 15.6857 15.9799 15.9799 17.4445 17.4445 21.1100 21.1100 22.2869 22.2869 22.6936 22.6936 22.9975 22.9975 26.4472 26.4472 k = 0.1333 0.0770-0.0000 ( 1001 PWs) bands (ev): -40.7078 -40.7078 -16.4435 -16.4435 -14.0217 -14.0217 -13.8741 -13.8741 6.2206 6.2206 14.7691 14.7691 15.7057 15.7057 15.9989 15.9989 17.3697 17.3697 21.0940 21.0940 22.3948 22.3948 22.5831 22.5831 22.9103 22.9103 26.5711 26.5711 k = 0.1417 0.0818-0.0000 ( 1001 PWs) bands (ev): -40.7064 -40.7064 -16.4472 -16.4472 -14.0250 -14.0250 -13.8810 -13.8810 6.2676 6.2676 14.6845 14.6845 15.7265 15.7265 16.0178 16.0178 17.2947 17.2947 21.0773 21.0773 22.4602 22.4602 22.5197 22.5197 22.8269 22.8269 26.6939 26.6939 k = 0.1500 0.0866-0.0000 ( 995 PWs) bands (ev): -40.7047 -40.7047 -16.4509 -16.4509 -14.0285 -14.0285 -13.8879 -13.8879 6.3173 6.3173 14.5973 14.5973 15.7479 15.7479 16.0363 16.0363 17.2198 17.2198 21.0599 21.0599 22.3660 22.3660 22.6202 22.6202 22.7477 22.7477 26.8129 26.8129 k = 0.1583 0.0914-0.0000 ( 995 PWs) bands (ev): -40.7031 -40.7031 -16.4549 -16.4549 -14.0325 -14.0325 -13.8948 -13.8948 6.3694 6.3694 14.5075 14.5075 15.7698 15.7698 16.0544 16.0544 17.1453 17.1453 21.0419 21.0419 22.2681 22.2681 22.6703 22.6703 22.7304 22.7304 26.9255 26.9255 k = 0.1667 0.0962-0.0000 ( 991 PWs) bands (ev): -40.7014 -40.7014 -16.4591 -16.4591 -14.0369 -14.0369 -13.9014 -13.9014 6.4240 6.4240 14.4156 14.4156 15.7922 15.7922 16.0716 16.0716 17.0713 17.0713 21.0233 21.0233 22.1750 22.1750 22.5995 22.5995 22.8374 22.8374 27.0303 27.0303 k = 0.1750 0.1010-0.0000 ( 991 PWs) bands (ev): -40.6998 -40.6998 -16.4634 -16.4634 -14.0418 -14.0418 -13.9080 -13.9080 6.4810 6.4810 14.3217 14.3217 15.8150 15.8150 16.0876 16.0876 16.9980 16.9980 21.0043 21.0043 22.0875 22.0875 22.5319 22.5319 22.9431 22.9431 27.1267 27.1267 k = 0.1833 0.1058-0.0000 ( 995 PWs) bands (ev): -40.6982 -40.6982 -16.4680 -16.4680 -14.0472 -14.0472 -13.9143 -13.9143 6.5403 6.5403 14.2260 14.2260 15.8379 15.8379 16.1024 16.1024 16.9257 16.9257 20.9849 20.9849 22.0060 22.0060 22.4683 22.4683 23.0459 23.0459 27.2153 27.2153 k = 0.1917 0.1107-0.0000 ( 995 PWs) bands (ev): -40.6965 -40.6965 -16.4726 -16.4726 -14.0532 -14.0532 -13.9202 -13.9202 6.6019 6.6019 14.1287 14.1287 15.8610 15.8610 16.1154 16.1154 16.8544 16.8544 20.9650 20.9650 21.9311 21.9311 22.4087 22.4087 23.1451 23.1451 27.2969 27.2969 k = 0.2000 0.1155-0.0000 ( 995 PWs) bands (ev): -40.6948 -40.6948 -16.4774 -16.4774 -14.0596 -14.0596 -13.9259 -13.9259 6.6658 6.6658 14.0300 14.0300 15.8841 15.8841 16.1265 16.1265 16.7842 16.7842 20.9449 20.9449 21.8631 21.8631 22.3532 22.3532 23.2396 23.2396 27.3720 27.3720 k = 0.2083 0.1203-0.0000 ( 995 PWs) bands (ev): -40.6930 -40.6930 -16.4822 -16.4822 -14.0666 -14.0666 -13.9311 -13.9311 6.7319 6.7319 13.9301 13.9301 15.9071 15.9071 16.1355 16.1355 16.7154 16.7154 20.9246 20.9246 21.8024 21.8024 22.3018 22.3018 23.3287 23.3287 27.4414 27.4414 k = 0.2167 0.1251-0.0000 ( 995 PWs) bands (ev): -40.6912 -40.6912 -16.4872 -16.4872 -14.0740 -14.0740 -13.9360 -13.9360 6.8000 6.8000 13.8291 13.8291 15.9299 15.9299 16.1421 16.1421 16.6479 16.6479 20.9040 20.9040 21.7492 21.7492 22.2544 22.2544 23.4115 23.4115 27.5049 27.5049 k = 0.2250 0.1299-0.0000 ( 995 PWs) bands (ev): -40.6893 -40.6893 -16.4923 -16.4923 -14.0819 -14.0819 -13.9404 -13.9404 6.8703 6.8703 13.7271 13.7271 15.9524 15.9524 16.1461 16.1461 16.5819 16.5819 20.8834 20.8834 21.7039 21.7039 22.2111 22.2111 23.4872 23.4872 27.5572 27.5572 k = 0.2333 0.1347-0.0000 ( 995 PWs) bands (ev): -40.6875 -40.6875 -16.4975 -16.4975 -14.0902 -14.0902 -13.9445 -13.9445 6.9425 6.9425 13.6243 13.6243 15.9745 15.9745 16.1473 16.1473 16.5175 16.5175 20.8626 20.8626 21.6667 21.6667 22.1719 22.1719 23.5551 23.5551 27.5590 27.5590 k = 0.2417 0.1395-0.0000 ( 995 PWs) bands (ev): -40.6856 -40.6856 -16.5027 -16.5027 -14.0988 -14.0988 -13.9482 -13.9482 7.0167 7.0167 13.5207 13.5207 15.9960 15.9960 16.1457 16.1457 16.4546 16.4546 20.8419 20.8419 21.6377 21.6377 22.1367 22.1367 23.6146 23.6146 27.5520 27.5520 k = 0.2500 0.1443-0.0000 ( 999 PWs) bands (ev): -40.6839 -40.6839 -16.5080 -16.5080 -14.1078 -14.1078 -13.9516 -13.9516 7.0928 7.0928 13.4166 13.4166 16.0169 16.0169 16.1411 16.1411 16.3935 16.3935 20.8212 20.8212 21.6170 21.6170 22.1054 22.1054 23.6653 23.6653 27.5555 27.5555 k = 0.2583 0.1491-0.0000 ( 995 PWs) bands (ev): -40.6819 -40.6819 -16.5133 -16.5133 -14.1169 -14.1169 -13.9547 -13.9547 7.1706 7.1706 13.3119 13.3119 16.0371 16.0371 16.1335 16.1335 16.3341 16.3341 20.8006 20.8006 21.6048 21.6048 22.0781 22.0781 23.7069 23.7069 27.5707 27.5707 k = 0.2667 0.1540-0.0000 ( 995 PWs) bands (ev): -40.6800 -40.6800 -16.5186 -16.5186 -14.1262 -14.1262 -13.9574 -13.9574 7.2503 7.2503 13.2067 13.2067 16.0564 16.0564 16.1231 16.1231 16.2766 16.2766 20.7802 20.7802 21.6009 21.6009 22.0546 22.0546 23.7393 23.7393 27.5980 27.5980 k = 0.2750 0.1588-0.0000 ( 999 PWs) bands (ev): -40.6783 -40.6783 -16.5240 -16.5240 -14.1357 -14.1357 -13.9600 -13.9600 7.3315 7.3315 13.1011 13.1011 16.0741 16.0741 16.1104 16.1104 16.2211 16.2211 20.7600 20.7600 21.6052 21.6052 22.0349 22.0349 23.7628 23.7628 27.6369 27.6369 k = 0.2833 0.1636-0.0000 ( 999 PWs) bands (ev): -40.6764 -40.6764 -16.5293 -16.5293 -14.1452 -14.1452 -13.9623 -13.9623 7.4145 7.4145 12.9951 12.9951 16.0844 16.0844 16.1005 16.1005 16.1684 16.1684 20.7401 20.7401 21.6176 21.6176 22.0188 22.0188 23.7778 23.7778 27.6870 27.6870 k = 0.2917 0.1684-0.0000 ( 999 PWs) bands (ev): -40.6746 -40.6746 -16.5347 -16.5347 -14.1547 -14.1547 -13.9643 -13.9643 7.4989 7.4989 12.8889 12.8889 16.0705 16.0705 16.1019 16.1019 16.1267 16.1267 20.7205 20.7205 21.6378 21.6378 22.0064 22.0064 23.7848 23.7848 27.7476 27.7476 k = 0.3000 0.1732-0.0000 ( 999 PWs) bands (ev): -40.6728 -40.6728 -16.5399 -16.5399 -14.1642 -14.1642 -13.9662 -13.9662 7.5849 7.5849 12.7824 12.7824 16.0473 16.0473 16.0644 16.0644 16.1321 16.1321 20.7012 20.7012 21.6654 21.6654 21.9976 21.9976 23.7846 23.7846 27.8172 27.8172 k = 0.3083 0.1780-0.0000 ( 999 PWs) bands (ev): -40.6711 -40.6711 -16.5452 -16.5452 -14.1736 -14.1736 -13.9679 -13.9679 7.6722 7.6722 12.6758 12.6758 16.0101 16.0101 16.0310 16.0310 16.1461 16.1461 20.6824 20.6824 21.6999 21.6999 21.9923 21.9923 23.7778 23.7778 27.8936 27.8936 k = 0.3167 0.1828-0.0000 ( 995 PWs) bands (ev): -40.6692 -40.6692 -16.5503 -16.5503 -14.1827 -14.1827 -13.9695 -13.9695 7.7609 7.7609 12.5690 12.5690 15.9655 15.9655 16.0041 16.0041 16.1601 16.1601 20.6641 20.6641 21.7406 21.7406 21.9907 21.9907 23.7655 23.7655 27.9624 27.9624 k = 0.3250 0.1876-0.0000 ( 993 PWs) bands (ev): -40.6674 -40.6674 -16.5553 -16.5553 -14.1918 -14.1918 -13.9709 -13.9709 7.8508 7.8508 12.4622 12.4622 15.9216 15.9216 15.9766 15.9766 16.1734 16.1734 20.6462 20.6462 21.7865 21.7865 21.9931 21.9931 23.7485 23.7485 27.9931 27.9931 k = 0.3333 0.1925-0.0000 ( 991 PWs) bands (ev): -40.6657 -40.6657 -16.5602 -16.5602 -14.2006 -14.2006 -13.9722 -13.9722 7.9418 7.9418 12.3553 12.3553 15.8794 15.8794 15.9480 15.9480 16.1858 16.1858 20.6289 20.6289 21.8357 21.8357 22.0007 22.0007 23.7276 23.7276 28.0099 28.0099 k = 0.3417 0.1973-0.0000 ( 987 PWs) bands (ev): -40.6640 -40.6640 -16.5650 -16.5650 -14.2091 -14.2091 -13.9733 -13.9733 8.0339 8.0339 12.2484 12.2484 15.8390 15.8390 15.9186 15.9186 16.1974 16.1974 20.6122 20.6122 21.8847 21.8847 22.0164 22.0164 23.7036 23.7036 28.0217 28.0217 k = 0.3500 0.2021-0.0000 ( 991 PWs) bands (ev): -40.6626 -40.6626 -16.5698 -16.5698 -14.2175 -14.2175 -13.9744 -13.9744 8.1270 8.1270 12.1417 12.1417 15.8006 15.8006 15.8885 15.8885 16.2080 16.2080 20.5961 20.5961 21.9268 21.9268 22.0458 22.0458 23.6772 23.6772 28.0295 28.0295 k = 0.3583 0.2069-0.0000 ( 991 PWs) bands (ev): -40.6611 -40.6611 -16.5744 -16.5744 -14.2255 -14.2255 -13.9754 -13.9754 8.2209 8.2209 12.0350 12.0350 15.7641 15.7641 15.8581 15.8581 16.2178 16.2178 20.5807 20.5807 21.9567 21.9567 22.0934 22.0934 23.6492 23.6492 28.0333 28.0333 k = 0.3667 0.2117-0.0000 ( 991 PWs) bands (ev): -40.6597 -40.6597 -16.5788 -16.5788 -14.2332 -14.2332 -13.9763 -13.9763 8.3156 8.3156 11.9286 11.9286 15.7297 15.7297 15.8276 15.8276 16.2268 16.2268 20.5660 20.5660 21.9773 21.9773 22.1554 22.1554 23.6202 23.6202 28.0330 28.0330 k = 0.3750 0.2165-0.0000 ( 991 PWs) bands (ev): -40.6583 -40.6583 -16.5830 -16.5830 -14.2405 -14.2405 -13.9771 -13.9771 8.4109 8.4109 11.8226 11.8226 15.6973 15.6973 15.7975 15.7975 16.2349 16.2349 20.5520 20.5520 21.9936 21.9936 22.2259 22.2259 23.5907 23.5907 28.0286 28.0286 k = 0.3833 0.2213-0.0000 ( 987 PWs) bands (ev): -40.6569 -40.6569 -16.5869 -16.5869 -14.2474 -14.2474 -13.9778 -13.9778 8.5066 8.5066 11.7169 11.7169 15.6669 15.6669 15.7680 15.7680 16.2422 16.2422 20.5388 20.5388 22.0083 22.0083 22.3010 22.3010 23.5613 23.5613 28.0197 28.0197 k = 0.3917 0.2261-0.0000 ( 983 PWs) bands (ev): -40.6555 -40.6555 -16.5907 -16.5907 -14.2539 -14.2539 -13.9785 -13.9785 8.6026 8.6026 11.6119 11.6119 15.6386 15.6386 15.7393 15.7393 16.2488 16.2488 20.5264 20.5264 22.0223 22.0223 22.3789 22.3789 23.5323 23.5323 28.0064 28.0064 k = 0.4000 0.2309-0.0000 ( 981 PWs) bands (ev): -40.6543 -40.6543 -16.5942 -16.5942 -14.2600 -14.2600 -13.9791 -13.9791 8.6986 8.6986 11.5076 11.5076 15.6124 15.6124 15.7117 15.7117 16.2547 16.2547 20.5147 20.5147 22.0360 22.0360 22.4579 22.4579 23.5042 23.5042 27.9885 27.9885 k = 0.4083 0.2358-0.0000 ( 986 PWs) bands (ev): -40.6534 -40.6534 -16.5976 -16.5976 -14.2658 -14.2658 -13.9796 -13.9796 8.7945 8.7945 11.4043 11.4043 15.5882 15.5882 15.6855 15.6855 16.2599 16.2599 20.5040 20.5040 22.0495 22.0495 22.5368 22.5368 23.4772 23.4772 27.9662 27.9662 k = 0.4167 0.2406-0.0000 ( 984 PWs) bands (ev): -40.6524 -40.6524 -16.6007 -16.6007 -14.2710 -14.2710 -13.9801 -13.9801 8.8898 8.8898 11.3023 11.3023 15.5661 15.5661 15.6609 15.6609 16.2645 16.2645 20.4941 20.4941 22.0625 22.0625 22.6146 22.6146 23.4518 23.4518 27.9398 27.9398 k = 0.4250 0.2454-0.0000 ( 984 PWs) bands (ev): -40.6515 -40.6515 -16.6035 -16.6035 -14.2758 -14.2758 -13.9805 -13.9805 8.9841 8.9841 11.2020 11.2020 15.5460 15.5460 15.6380 15.6380 16.2685 16.2685 20.4850 20.4850 22.0750 22.0750 22.6900 22.6900 23.4281 23.4281 27.9099 27.9099 k = 0.4333 0.2502-0.0000 ( 986 PWs) bands (ev): -40.6507 -40.6507 -16.6061 -16.6061 -14.2802 -14.2802 -13.9809 -13.9809 9.0769 9.0769 11.1039 11.1039 15.5281 15.5281 15.6171 15.6171 16.2719 16.2719 20.4769 20.4769 22.0868 22.0868 22.7619 22.7619 23.4063 23.4063 27.8774 27.8774 k = 0.4417 0.2550-0.0000 ( 986 PWs) bands (ev): -40.6500 -40.6500 -16.6084 -16.6084 -14.2840 -14.2840 -13.9813 -13.9813 9.1674 9.1674 11.0088 11.0088 15.5122 15.5122 15.5983 15.5983 16.2749 16.2749 20.4697 20.4697 22.0978 22.0978 22.8292 22.8292 23.3867 23.3867 27.8434 27.8434 k = 0.4500 0.2598-0.0000 ( 990 PWs) bands (ev): -40.6495 -40.6495 -16.6105 -16.6105 -14.2874 -14.2874 -13.9816 -13.9816 9.2545 9.2545 10.9177 10.9177 15.4984 15.4984 15.5817 15.5817 16.2774 16.2774 20.4634 20.4634 22.1076 22.1076 22.8906 22.8906 23.3693 23.3693 27.8094 27.8094 k = 0.4583 0.2646-0.0000 ( 988 PWs) bands (ev): -40.6489 -40.6489 -16.6121 -16.6121 -14.2902 -14.2902 -13.9818 -13.9818 9.3368 9.3368 10.8321 10.8321 15.4867 15.4867 15.5675 15.5675 16.2794 16.2794 20.4581 20.4581 22.1163 22.1163 22.9451 22.9451 23.3544 23.3544 27.7770 27.7770 k = 0.4667 0.2694-0.0000 ( 984 PWs) bands (ev): -40.6483 -40.6483 -16.6135 -16.6135 -14.2925 -14.2925 -13.9819 -13.9819 9.4121 9.4121 10.7541 10.7541 15.4772 15.4772 15.5558 15.5558 16.2810 16.2810 20.4537 20.4537 22.1235 22.1235 22.9915 22.9915 23.3420 23.3420 27.7477 27.7477 k = 0.4750 0.2742-0.0000 ( 986 PWs) bands (ev): -40.6481 -40.6481 -16.6146 -16.6146 -14.2944 -14.2944 -13.9821 -13.9821 9.4775 9.4775 10.6867 10.6867 15.4697 15.4697 15.5466 15.5466 16.2823 16.2823 20.4503 20.4503 22.1293 22.1293 23.0288 23.0288 23.3323 23.3323 27.7231 27.7231 k = 0.4833 0.2791-0.0000 ( 986 PWs) bands (ev): -40.6478 -40.6478 -16.6154 -16.6154 -14.2957 -14.2957 -13.9822 -13.9822 9.5292 9.5292 10.6335 10.6335 15.4644 15.4644 15.5399 15.5399 16.2832 16.2832 20.4479 20.4479 22.1335 22.1335 23.0562 23.0562 23.3253 23.3253 27.7045 27.7045 k = 0.4917 0.2839-0.0000 ( 986 PWs) bands (ev): -40.6477 -40.6477 -16.6159 -16.6159 -14.2965 -14.2965 -13.9822 -13.9822 9.5627 9.5627 10.5990 10.5990 15.4612 15.4612 15.5360 15.5360 16.2837 16.2837 20.4464 20.4464 22.1361 22.1361 23.0729 23.0729 23.3210 23.3210 27.6929 27.6929 k = 0.5000 0.2887-0.0000 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2967 -14.2967 -13.9823 -13.9823 9.5745 9.5745 10.5870 10.5870 15.4602 15.4602 15.5346 15.5346 16.2839 16.2839 20.4459 20.4459 22.1369 22.1369 23.0785 23.0785 23.3196 23.3196 27.6889 27.6889 k = 0.5000 0.2887-0.0000 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2967 -14.2967 -13.9823 -13.9823 9.5745 9.5745 10.5870 10.5870 15.4602 15.4602 15.5346 15.5346 16.2839 16.2839 20.4459 20.4459 22.1369 22.1369 23.0785 23.0785 23.3196 23.3196 27.6889 27.6889 k = 0.4952 0.2969-0.0000 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2967 -14.2967 -13.9825 -13.9825 9.5762 9.5762 10.5875 10.5875 15.4605 15.4605 15.5164 15.5164 16.3025 16.3025 20.4347 20.4347 22.1335 22.1335 23.0759 23.0759 23.3329 23.3329 27.6947 27.6947 k = 0.4905 0.3052-0.0000 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2965 -14.2965 -13.9830 -13.9830 9.5813 9.5813 10.5888 10.5888 15.4511 15.4511 15.4770 15.4770 16.3538 16.3538 20.4019 20.4019 22.1231 22.1231 23.0682 23.0682 23.3724 23.3724 27.7121 27.7121 k = 0.4857 0.3134-0.0000 ( 986 PWs) bands (ev): -40.6475 -40.6475 -16.6162 -16.6162 -14.2963 -14.2963 -13.9840 -13.9840 9.5899 9.5899 10.5909 10.5909 15.3831 15.3831 15.4748 15.4748 16.4282 16.4282 20.3490 20.3490 22.1059 22.1059 23.0554 23.0554 23.4361 23.4361 27.7408 27.7408 k = 0.4810 0.3217-0.0000 ( 986 PWs) bands (ev): -40.6474 -40.6474 -16.6163 -16.6163 -14.2960 -14.2960 -13.9854 -13.9854 9.6018 9.6018 10.5940 10.5940 15.2926 15.2926 15.4822 15.4822 16.5171 16.5171 20.2786 20.2786 22.0823 22.0823 23.0376 23.0376 23.5216 23.5216 27.7807 27.7807 k = 0.4762 0.3299-0.0000 ( 990 PWs) bands (ev): -40.6474 -40.6474 -16.6165 -16.6165 -14.2956 -14.2956 -13.9872 -13.9872 9.6172 9.6172 10.5979 10.5979 15.1918 15.1918 15.4926 15.4926 16.6151 16.6151 20.1935 20.1935 22.0525 22.0525 23.0147 23.0147 23.6259 23.6259 27.8313 27.8313 k = 0.4714 0.3382-0.0000 ( 990 PWs) bands (ev): -40.6472 -40.6472 -16.6167 -16.6167 -14.2952 -14.2952 -13.9892 -13.9892 9.6359 9.6359 10.6027 10.6027 15.0844 15.0844 15.5055 15.5055 16.7191 16.7191 20.0965 20.0965 22.0170 22.0170 22.9870 22.9870 23.7464 23.7464 27.8922 27.8922 k = 0.4667 0.3464-0.0000 ( 986 PWs) bands (ev): -40.6469 -40.6469 -16.6169 -16.6169 -14.2946 -14.2946 -13.9916 -13.9916 9.6580 9.6580 10.6083 10.6083 14.9724 14.9724 15.5208 15.5208 16.8271 16.8271 19.9900 19.9900 21.9763 21.9763 22.9545 22.9545 23.8803 23.8803 27.9630 27.9630 k = 0.4619 0.3547-0.0000 ( 986 PWs) bands (ev): -40.6466 -40.6466 -16.6172 -16.6172 -14.2939 -14.2939 -13.9943 -13.9943 9.6833 9.6833 10.6149 10.6149 14.8571 14.8571 15.5386 15.5386 16.9381 16.9381 19.8763 19.8763 21.9307 21.9307 22.9171 22.9171 24.0255 24.0255 28.0431 28.0431 k = 0.4571 0.3629-0.0000 ( 982 PWs) bands (ev): -40.6462 -40.6462 -16.6174 -16.6174 -14.2932 -14.2932 -13.9973 -13.9973 9.7120 9.7120 10.6223 10.6223 14.7392 14.7392 15.5586 15.5586 17.0513 17.0513 19.7572 19.7572 21.8809 21.8809 22.8752 22.8752 24.1800 24.1800 28.1319 28.1319 k = 0.4524 0.3712-0.0000 ( 976 PWs) bands (ev): -40.6458 -40.6458 -16.6177 -16.6177 -14.2924 -14.2924 -14.0005 -14.0005 9.7438 9.7438 10.6307 10.6307 14.6194 14.6194 15.5811 15.5811 17.1665 17.1665 19.6342 19.6342 21.8273 21.8273 22.8286 22.8286 24.3422 24.3422 28.2289 28.2289 k = 0.4476 0.3794-0.0000 ( 986 PWs) bands (ev): -40.6458 -40.6458 -16.6182 -16.6182 -14.2917 -14.2917 -14.0042 -14.0042 9.7788 9.7788 10.6399 10.6399 14.4978 14.4978 15.6059 15.6059 17.2833 17.2833 19.5084 19.5084 21.7705 21.7705 22.7777 22.7777 24.5106 24.5106 28.3334 28.3334 k = 0.4429 0.3876-0.0000 ( 986 PWs) bands (ev): -40.6455 -40.6455 -16.6186 -16.6186 -14.2909 -14.2909 -14.0080 -14.0080 9.8170 9.8170 10.6500 10.6500 14.3749 14.3749 15.6330 15.6330 17.4016 17.4016 19.3810 19.3810 21.7110 21.7110 22.7224 22.7224 24.6843 24.6843 28.4449 28.4449 k = 0.4381 0.3959-0.0000 ( 982 PWs) bands (ev): -40.6450 -40.6450 -16.6189 -16.6189 -14.2899 -14.2899 -14.0119 -14.0119 9.8582 9.8582 10.6611 10.6611 14.2508 14.2508 15.6624 15.6624 17.5213 17.5213 19.2528 19.2528 21.6492 21.6492 22.6629 22.6629 24.8621 24.8621 28.5629 28.5629 k = 0.4333 0.4041-0.0000 ( 982 PWs) bands (ev): -40.6447 -40.6447 -16.6194 -16.6194 -14.2890 -14.2890 -14.0160 -14.0160 9.9024 9.9024 10.6731 10.6731 14.1256 14.1256 15.6942 15.6942 17.6424 17.6424 19.1244 19.1244 21.5857 21.5857 22.5994 22.5994 25.0433 25.0433 28.6867 28.6867 k = 0.4286 0.4124-0.0000 ( 982 PWs) bands (ev): -40.6443 -40.6443 -16.6199 -16.6199 -14.2881 -14.2881 -14.0202 -14.0202 9.9495 9.9495 10.6860 10.6860 13.9995 13.9995 15.7283 15.7283 17.7649 17.7649 18.9964 18.9964 21.5208 21.5208 22.5321 22.5321 25.2270 25.2270 28.8158 28.8158 k = 0.4238 0.4206-0.0000 ( 978 PWs) bands (ev): -40.6438 -40.6438 -16.6203 -16.6203 -14.2871 -14.2871 -14.0245 -14.0245 9.9995 9.9995 10.6998 10.6998 13.8727 13.8727 15.7646 15.7646 17.8886 17.8886 18.8694 18.8694 21.4550 21.4550 22.4610 22.4610 25.4125 25.4125 28.9495 28.9495 k = 0.4190 0.4289-0.0000 ( 980 PWs) bands (ev): -40.6435 -40.6435 -16.6209 -16.6209 -14.2862 -14.2862 -14.0289 -14.0289 10.0522 10.0522 10.7146 10.7146 13.7453 13.7453 15.8033 15.8033 18.0134 18.0134 18.7439 18.7439 21.3886 21.3886 22.3863 22.3863 25.5992 25.5992 29.0870 29.0870 k = 0.4143 0.4371-0.0000 ( 980 PWs) bands (ev): -40.6431 -40.6431 -16.6214 -16.6214 -14.2853 -14.2853 -14.0333 -14.0333 10.1077 10.1077 10.7304 10.7304 13.6173 13.6173 15.8442 15.8442 18.1387 18.1387 18.6209 18.6209 21.3220 21.3220 22.3083 22.3083 25.7865 25.7865 29.2231 29.2231 k = 0.4095 0.4454-0.0000 ( 980 PWs) bands (ev): -40.6427 -40.6427 -16.6220 -16.6220 -14.2844 -14.2844 -14.0376 -14.0376 10.1657 10.1657 10.7472 10.7472 13.4888 13.4888 15.8873 15.8873 18.2612 18.2612 18.5038 18.5038 21.2555 21.2555 22.2270 22.2270 25.9736 25.9736 29.2407 29.2407 k = 0.4048 0.4536-0.0000 ( 980 PWs) bands (ev): -40.6423 -40.6423 -16.6226 -16.6226 -14.2836 -14.2836 -14.0419 -14.0419 10.2262 10.2262 10.7650 10.7650 13.3600 13.3600 15.9327 15.9327 18.3315 18.3315 18.4425 18.4425 21.1894 21.1894 22.1427 22.1427 26.1600 26.1600 29.1937 29.1937 k = 0.4000 0.4619-0.0000 ( 976 PWs) bands (ev): -40.6417 -40.6417 -16.6231 -16.6231 -14.2828 -14.2828 -14.0461 -14.0461 10.2891 10.2891 10.7838 10.7838 13.2310 13.2310 15.9803 15.9803 18.2415 18.2415 18.5452 18.5452 21.1240 21.1240 22.0556 22.0556 26.3449 26.3449 29.1431 29.1431 k = 0.3952 0.4701-0.0000 ( 976 PWs) bands (ev): -40.6414 -40.6414 -16.6237 -16.6237 -14.2820 -14.2820 -14.0501 -14.0501 10.3542 10.3542 10.8038 10.8038 13.1020 13.1020 16.0301 16.0301 18.1288 18.1288 18.6743 18.6743 21.0595 21.0595 21.9658 21.9658 26.5277 26.5277 29.0905 29.0905 k = 0.3905 0.4784-0.0000 ( 978 PWs) bands (ev): -40.6410 -40.6410 -16.6243 -16.6243 -14.2814 -14.2814 -14.0540 -14.0540 10.4213 10.4213 10.8248 10.8248 12.9730 12.9730 16.0821 16.0821 18.0159 18.0159 18.8075 18.8075 20.9962 20.9962 21.8735 21.8735 26.7076 26.7076 29.0363 29.0363 k = 0.3857 0.4866-0.0000 ( 980 PWs) bands (ev): -40.6407 -40.6407 -16.6249 -16.6249 -14.2808 -14.2808 -14.0578 -14.0578 10.4903 10.4903 10.8471 10.8471 12.8441 12.8441 16.1363 16.1363 17.9048 17.9048 18.9430 18.9430 20.9343 20.9343 21.7790 21.7790 26.8838 26.8838 28.9806 28.9806 k = 0.3810 0.4949-0.0000 ( 980 PWs) bands (ev): -40.6404 -40.6404 -16.6255 -16.6255 -14.2803 -14.2803 -14.0612 -14.0612 10.5608 10.5608 10.8707 10.8707 12.7157 12.7157 16.1925 16.1925 17.7960 17.7960 19.0802 19.0802 20.8739 20.8739 21.6824 21.6824 27.0556 27.0556 28.9236 28.9236 k = 0.3762 0.5031-0.0000 ( 976 PWs) bands (ev): -40.6399 -40.6399 -16.6260 -16.6260 -14.2798 -14.2798 -14.0643 -14.0643 10.6324 10.6324 10.8958 10.8958 12.5879 12.5879 16.2509 16.2509 17.6898 17.6898 19.2187 19.2187 20.8153 20.8153 21.5840 21.5840 27.2219 27.2219 28.8655 28.8655 k = 0.3714 0.5114-0.0000 ( 980 PWs) bands (ev): -40.6398 -40.6398 -16.6266 -16.6266 -14.2795 -14.2795 -14.0673 -14.0673 10.7046 10.7046 10.9227 10.9227 12.4609 12.4609 16.3114 16.3114 17.5864 17.5864 19.3584 19.3584 20.7586 20.7586 21.4840 21.4840 27.3818 27.3818 28.8062 28.8062 k = 0.3667 0.5196-0.0000 ( 980 PWs) bands (ev): -40.6395 -40.6395 -16.6271 -16.6271 -14.2792 -14.2792 -14.0699 -14.0699 10.7761 10.7761 10.9522 10.9522 12.3353 12.3353 16.3739 16.3739 17.4859 17.4859 19.4989 19.4989 20.7040 20.7040 21.3827 21.3827 27.5343 27.5343 28.7461 28.7461 k = 0.3619 0.5279-0.0000 ( 984 PWs) bands (ev): -40.6394 -40.6394 -16.6276 -16.6276 -14.2791 -14.2791 -14.0721 -14.0721 10.8452 10.8452 10.9856 10.9856 12.2117 12.2117 16.4384 16.4384 17.3884 17.3884 19.6399 19.6399 20.6517 20.6517 21.2806 21.2806 27.6783 27.6783 28.6851 28.6851 k = 0.3571 0.5361-0.0000 ( 984 PWs) bands (ev): -40.6391 -40.6391 -16.6280 -16.6280 -14.2790 -14.2790 -14.0740 -14.0740 10.9084 10.9084 11.0249 11.0249 12.0910 12.0910 16.5049 16.5049 17.2939 17.2939 19.7806 19.7806 20.6020 20.6020 21.1781 21.1781 27.8126 27.8126 28.6236 28.6236 k = 0.3524 0.5444-0.0000 ( 988 PWs) bands (ev): -40.6391 -40.6391 -16.6284 -16.6284 -14.2790 -14.2790 -14.0756 -14.0756 10.9621 10.9621 11.0724 11.0724 11.9751 11.9751 16.5733 16.5733 17.2026 17.2026 19.9200 19.9200 20.5552 20.5552 21.0760 21.0760 27.9361 27.9361 28.5616 28.5616 k = 0.3476 0.5526-0.0000 ( 996 PWs) bands (ev): -40.6392 -40.6392 -16.6288 -16.6288 -14.2792 -14.2792 -14.0768 -14.0768 11.0054 11.0054 11.1254 11.1254 11.8673 11.8673 16.6435 16.6435 17.1145 17.1145 20.0557 20.0557 20.5122 20.5122 20.9760 20.9760 28.0475 28.0475 28.4995 28.4995 k = 0.3429 0.5609-0.0000 ( 996 PWs) bands (ev): -40.6391 -40.6391 -16.6290 -16.6290 -14.2792 -14.2792 -14.0777 -14.0777 11.0409 11.0409 11.1750 11.1750 11.7741 11.7741 16.7153 16.7153 17.0299 17.0299 20.1821 20.1821 20.4754 20.4754 20.8812 20.8812 28.1453 28.1453 28.4378 28.4378 k = 0.3381 0.5691-0.0000 ( 996 PWs) bands (ev): -40.6390 -40.6390 -16.6292 -16.6292 -14.2792 -14.2792 -14.0782 -14.0782 11.0688 11.0688 11.2085 11.2085 11.7078 11.7078 16.7878 16.7878 16.9498 16.9498 20.2814 20.2814 20.4530 20.4530 20.8012 20.8012 28.2265 28.2265 28.3787 28.3787 k = 0.3333 0.5774-0.0000 ( 996 PWs) bands (ev): -40.6390 -40.6390 -16.6292 -16.6292 -14.2792 -14.2792 -14.0783 -14.0783 11.0822 11.0822 11.2176 11.2176 11.6837 11.6837 16.8437 16.8437 16.8914 16.8914 20.3167 20.3167 20.4541 20.4541 20.7638 20.7638 28.2709 28.2709 28.3417 28.3417 k = 0.3333 0.5774-0.0000 ( 996 PWs) bands (ev): -40.6390 -40.6390 -16.6292 -16.6292 -14.2792 -14.2792 -14.0783 -14.0783 11.0822 11.0822 11.2176 11.2176 11.6837 11.6837 16.8437 16.8437 16.8914 16.8914 20.3167 20.3167 20.4541 20.4541 20.7638 20.7638 28.2709 28.2709 28.3417 28.3417 k = 0.3285 0.5690-0.0000 ( 996 PWs) bands (ev): -40.6390 -40.6390 -16.6292 -16.6292 -14.2792 -14.2792 -14.0782 -14.0782 11.0593 11.0593 11.2199 11.2199 11.7059 11.7059 16.7876 16.7876 16.9502 16.9502 20.2970 20.2970 20.4297 20.4297 20.8089 20.8089 28.2323 28.2323 28.3726 28.3726 k = 0.3237 0.5606-0.0000 ( 996 PWs) bands (ev): -40.6391 -40.6391 -16.6290 -16.6290 -14.2791 -14.2791 -14.0777 -14.0777 10.9905 10.9905 11.2383 11.2383 11.7614 11.7614 16.7163 16.7163 17.0292 17.0292 20.2532 20.2532 20.3705 20.3705 20.9148 20.9148 28.1721 28.1721 28.4091 28.4091 k = 0.3188 0.5522-0.0000 ( 992 PWs) bands (ev): -40.6391 -40.6391 -16.6286 -16.6286 -14.2788 -14.2788 -14.0769 -14.0769 10.8947 10.8947 11.2683 11.2683 11.8355 11.8355 16.6474 16.6474 17.1111 17.1111 20.1854 20.1854 20.3144 20.3144 21.0431 21.0431 28.1096 28.1096 28.4322 28.4322 k = 0.3140 0.5439-0.0000 ( 988 PWs) bands (ev): -40.6391 -40.6391 -16.6282 -16.6282 -14.2785 -14.2785 -14.0758 -14.0758 10.7865 10.7865 11.3035 11.3035 11.9202 11.9202 16.5817 16.5817 17.1950 17.1950 20.0955 20.0955 20.2741 20.2741 21.1790 21.1790 28.0467 28.0467 28.4402 28.4402 k = 0.3092 0.5355-0.0000 ( 988 PWs) bands (ev): -40.6394 -40.6394 -16.6276 -16.6276 -14.2780 -14.2780 -14.0745 -14.0745 10.6722 10.6722 11.3419 11.3419 12.0112 12.0112 16.5194 16.5194 17.2806 17.2806 19.9941 19.9941 20.2443 20.2443 21.3171 21.3171 27.9840 27.9840 28.4330 28.4330 k = 0.3043 0.5271-0.0000 ( 988 PWs) bands (ev): -40.6397 -40.6397 -16.6269 -16.6269 -14.2773 -14.2773 -14.0729 -14.0729 10.5547 10.5547 11.3824 11.3824 12.1064 12.1064 16.4605 16.4605 17.3678 17.3678 19.8875 19.8875 20.2205 20.2205 21.4548 21.4548 27.9219 27.9219 28.4111 28.4111 k = 0.2995 0.5188-0.0000 ( 984 PWs) bands (ev): -40.6399 -40.6399 -16.6260 -16.6260 -14.2764 -14.2764 -14.0711 -14.0711 10.4357 10.4357 11.4247 11.4247 12.2046 12.2046 16.4051 16.4051 17.4565 17.4565 19.7786 19.7786 20.2011 20.2011 21.5907 21.5907 27.8605 27.8605 28.3753 28.3753 k = 0.2947 0.5104-0.0000 ( 984 PWs) bands (ev): -40.6404 -40.6404 -16.6250 -16.6250 -14.2753 -14.2753 -14.0692 -14.0692 10.3160 10.3160 11.4686 11.4686 12.3051 12.3051 16.3532 16.3532 17.5466 17.5466 19.6686 19.6686 20.1855 20.1855 21.7237 21.7237 27.8000 27.8000 28.3265 28.3265 k = 0.2899 0.5020-0.0000 ( 976 PWs) bands (ev): -40.6406 -40.6406 -16.6237 -16.6237 -14.2739 -14.2739 -14.0669 -14.0669 10.1962 10.1962 11.5141 11.5141 12.4075 12.4075 16.3049 16.3049 17.6380 17.6380 19.5580 19.5580 20.1734 20.1734 21.8528 21.8528 27.7405 27.7405 28.2656 28.2656 k = 0.2850 0.4937-0.0000 ( 972 PWs) bands (ev): -40.6410 -40.6410 -16.6222 -16.6222 -14.2722 -14.2722 -14.0645 -14.0645 10.0766 10.0766 11.5611 11.5611 12.5113 12.5113 16.2602 16.2602 17.7307 17.7307 19.4475 19.4475 20.1647 20.1647 21.9772 21.9772 27.6822 27.6822 28.1939 28.1939 k = 0.2802 0.4853-0.0000 ( 974 PWs) bands (ev): -40.6417 -40.6417 -16.6207 -16.6207 -14.2703 -14.2703 -14.0621 -14.0621 9.9573 9.9573 11.6096 11.6096 12.6162 12.6162 16.2189 16.2189 17.8244 17.8244 19.3371 19.3371 20.1592 20.1592 22.0960 22.0960 27.6253 27.6253 28.1123 28.1123 k = 0.2754 0.4769-0.0000 ( 974 PWs) bands (ev): -40.6424 -40.6424 -16.6189 -16.6189 -14.2681 -14.2681 -14.0595 -14.0595 9.8387 9.8387 11.6596 11.6596 12.7222 12.7222 16.1813 16.1813 17.9192 17.9192 19.2273 19.2273 20.1571 20.1571 22.2083 22.2083 27.5698 27.5698 28.0218 28.0218 k = 0.2705 0.4686-0.0000 ( 972 PWs) bands (ev): -40.6431 -40.6431 -16.6169 -16.6169 -14.2655 -14.2655 -14.0567 -14.0567 9.7208 9.7208 11.7111 11.7111 12.8289 12.8289 16.1472 16.1472 18.0148 18.0148 19.1181 19.1181 20.1582 20.1582 22.3133 22.3133 27.5160 27.5160 27.9235 27.9235 k = 0.2657 0.4602-0.0000 ( 976 PWs) bands (ev): -40.6441 -40.6441 -16.6148 -16.6148 -14.2627 -14.2627 -14.0539 -14.0539 9.6037 9.6037 11.7641 11.7641 12.9363 12.9363 16.1167 16.1167 18.1111 18.1111 19.0099 19.0099 20.1625 20.1625 22.4103 22.4103 27.4638 27.4638 27.8183 27.8183 k = 0.2609 0.4518-0.0000 ( 976 PWs) bands (ev): -40.6450 -40.6450 -16.6125 -16.6125 -14.2595 -14.2595 -14.0510 -14.0510 9.4876 9.4876 11.8186 11.8186 13.0441 13.0441 16.0897 16.0897 18.2077 18.2077 18.9030 18.9030 20.1701 20.1701 22.4985 22.4985 27.4134 27.4134 27.7071 27.7071 k = 0.2560 0.4435-0.0000 ( 978 PWs) bands (ev): -40.6461 -40.6461 -16.6100 -16.6100 -14.2560 -14.2560 -14.0480 -14.0480 9.3725 9.3725 11.8746 11.8746 13.1522 13.1522 16.0663 16.0663 18.3040 18.3040 18.7979 18.7979 20.1809 20.1809 22.5771 22.5771 27.3648 27.3648 27.5909 27.5909 k = 0.2512 0.4351-0.0000 ( 978 PWs) bands (ev): -40.6471 -40.6471 -16.6072 -16.6072 -14.2521 -14.2521 -14.0450 -14.0450 9.2585 9.2585 11.9322 11.9322 13.2605 13.2605 16.0464 16.0464 18.3978 18.3978 18.6968 18.6968 20.1949 20.1949 22.6457 22.6457 27.3175 27.3175 27.4710 27.4710 k = 0.2464 0.4267-0.0000 ( 978 PWs) bands (ev): -40.6482 -40.6482 -16.6042 -16.6042 -14.2479 -14.2479 -14.0419 -14.0419 9.1456 9.1456 11.9913 11.9913 13.3688 13.3688 16.0300 16.0300 18.4755 18.4755 18.6135 18.6135 20.2121 20.2121 22.7038 22.7038 27.2686 27.2686 27.3511 27.3511 k = 0.2415 0.4184-0.0000 ( 978 PWs) bands (ev): -40.6494 -40.6494 -16.6011 -16.6011 -14.2433 -14.2433 -14.0387 -14.0387 9.0338 9.0338 12.0519 12.0519 13.4769 13.4769 16.0171 16.0171 18.4529 18.4529 18.6318 18.6318 20.2324 20.2324 22.7511 22.7511 27.1928 27.1928 27.2570 27.2570 k = 0.2367 0.4100-0.0000 ( 980 PWs) bands (ev): -40.6507 -40.6507 -16.5978 -16.5978 -14.2384 -14.2384 -14.0355 -14.0355 8.9233 8.9233 12.1141 12.1141 13.5847 13.5847 16.0077 16.0077 18.3627 18.3627 18.7192 18.7192 20.2560 20.2560 22.7874 22.7874 27.0714 27.0714 27.2082 27.2082 k = 0.2319 0.4016-0.0000 ( 984 PWs) bands (ev): -40.6521 -40.6521 -16.5943 -16.5943 -14.2333 -14.2333 -14.0322 -14.0322 8.8140 8.8140 12.1778 12.1778 13.6920 13.6920 16.0018 16.0018 18.2651 18.2651 18.8152 18.8152 20.2827 20.2827 22.8129 22.8129 26.9388 26.9388 27.1709 27.1709 k = 0.2271 0.3933-0.0000 ( 985 PWs) bands (ev): -40.6535 -40.6535 -16.5906 -16.5906 -14.2277 -14.2277 -14.0289 -14.0289 8.7061 8.7061 12.2431 12.2431 13.7986 13.7986 15.9993 15.9993 18.1670 18.1670 18.9130 18.9130 20.3126 20.3126 22.8279 22.8279 26.8025 26.8025 27.1382 27.1382 k = 0.2222 0.3849-0.0000 ( 985 PWs) bands (ev): -40.6549 -40.6549 -16.5866 -16.5866 -14.2218 -14.2218 -14.0256 -14.0256 8.5995 8.5995 12.3099 12.3099 13.9044 13.9044 16.0003 16.0003 18.0696 18.0696 19.0112 19.0112 20.3455 20.3455 22.8328 22.8328 26.6637 26.6637 27.1094 27.1094 k = 0.2174 0.3765-0.0000 ( 985 PWs) bands (ev): -40.6564 -40.6564 -16.5826 -16.5826 -14.2156 -14.2156 -14.0222 -14.0222 8.4943 8.4943 12.3783 12.3783 14.0091 14.0091 16.0047 16.0047 17.9733 17.9733 19.1093 19.1093 20.3816 20.3816 22.8284 22.8284 26.5230 26.5230 27.0842 27.0842 k = 0.2126 0.3682-0.0000 ( 989 PWs) bands (ev): -40.6581 -40.6581 -16.5784 -16.5784 -14.2091 -14.2091 -14.0188 -14.0188 8.3906 8.3906 12.4481 12.4481 14.1126 14.1126 16.0124 16.0124 17.8784 17.8784 19.2069 19.2069 20.4208 20.4208 22.8154 22.8154 26.3808 26.3808 27.0628 27.0628 k = 0.2077 0.3598-0.0000 ( 989 PWs) bands (ev): -40.6596 -40.6596 -16.5740 -16.5740 -14.2023 -14.2023 -14.0154 -14.0154 8.2883 8.2883 12.5194 12.5194 14.2147 14.2147 16.0235 16.0235 17.7851 17.7851 19.3037 19.3037 20.4630 20.4630 22.7949 22.7949 26.2375 26.2375 27.0453 27.0453 k = 0.2029 0.3514-0.0000 ( 993 PWs) bands (ev): -40.6614 -40.6614 -16.5695 -16.5695 -14.1953 -14.1953 -14.0119 -14.0119 8.1875 8.1875 12.5922 12.5922 14.3150 14.3150 16.0379 16.0379 17.6934 17.6934 19.3996 19.3996 20.5083 20.5083 22.7679 22.7679 26.0931 26.0931 27.0318 27.0318 k = 0.1981 0.3431-0.0000 ( 993 PWs) bands (ev): -40.6631 -40.6631 -16.5648 -16.5648 -14.1880 -14.1880 -14.0084 -14.0084 8.0882 8.0882 12.6665 12.6665 14.4134 14.4134 16.0555 16.0555 17.6033 17.6033 19.4943 19.4943 20.5565 20.5565 22.7355 22.7355 25.9480 25.9480 27.0225 27.0225 k = 0.1932 0.3347-0.0000 ( 993 PWs) bands (ev): -40.6648 -40.6648 -16.5600 -16.5600 -14.1804 -14.1804 -14.0049 -14.0049 7.9906 7.9906 12.7423 12.7423 14.5097 14.5097 16.0764 16.0764 17.5150 17.5150 19.5876 19.5876 20.6078 20.6078 22.6990 22.6990 25.8024 25.8024 27.0176 27.0176 k = 0.1884 0.3263-0.0000 ( 991 PWs) bands (ev): -40.6665 -40.6665 -16.5551 -16.5551 -14.1726 -14.1726 -14.0013 -14.0013 7.8945 7.8945 12.8194 12.8194 14.6036 14.6036 16.1005 16.1005 17.4285 17.4285 19.6793 19.6793 20.6620 20.6620 22.6595 22.6595 25.6563 25.6563 27.0172 27.0172 k = 0.1836 0.3180-0.0000 ( 991 PWs) bands (ev): -40.6682 -40.6682 -16.5500 -16.5500 -14.1646 -14.1646 -13.9976 -13.9976 7.8001 7.8001 12.8979 12.8979 14.6948 14.6948 16.1277 16.1277 17.3438 17.3438 19.7693 19.7693 20.7191 20.7191 22.6182 22.6182 25.5100 25.5100 27.0215 27.0215 k = 0.1787 0.3096-0.0000 ( 989 PWs) bands (ev): -40.6700 -40.6700 -16.5449 -16.5449 -14.1565 -14.1565 -13.9938 -13.9938 7.7074 7.7074 12.9777 12.9777 14.7830 14.7830 16.1579 16.1579 17.2610 17.2610 19.8573 19.8573 20.7791 20.7791 22.5763 22.5763 25.3635 25.3635 27.0306 27.0306 k = 0.1739 0.3012-0.0000 ( 989 PWs) bands (ev): -40.6718 -40.6718 -16.5398 -16.5398 -14.1483 -14.1483 -13.9900 -13.9900 7.6164 7.6164 13.0588 13.0588 14.8681 14.8681 16.1913 16.1913 17.1802 17.1802 19.9431 19.9431 20.8419 20.8419 22.5348 22.5348 25.2170 25.2170 27.0446 27.0446 k = 0.1691 0.2929-0.0000 ( 989 PWs) bands (ev): -40.6737 -40.6737 -16.5345 -16.5345 -14.1400 -14.1400 -13.9861 -13.9861 7.5272 7.5272 13.1411 13.1411 14.9496 14.9496 16.2276 16.2276 17.1014 17.1014 20.0267 20.0267 20.9076 20.9076 22.4947 22.4947 25.0707 25.0707 27.0636 27.0636 k = 0.1643 0.2845-0.0000 ( 985 PWs) bands (ev): -40.6754 -40.6754 -16.5292 -16.5292 -14.1316 -14.1316 -13.9820 -13.9820 7.4398 7.4398 13.2245 13.2245 15.0275 15.0275 16.2668 16.2668 17.0246 17.0246 20.1077 20.1077 20.9760 20.9760 22.4571 22.4571 24.9245 24.9245 27.0878 27.0878 k = 0.1594 0.2761-0.0000 ( 985 PWs) bands (ev): -40.6773 -40.6773 -16.5240 -16.5240 -14.1233 -14.1233 -13.9779 -13.9779 7.3542 7.3542 13.3090 13.3090 15.1014 15.1014 16.3088 16.3088 16.9500 16.9500 20.1861 20.1861 21.0472 21.0472 22.4229 22.4229 24.7787 24.7787 27.1173 27.1173 k = 0.1546 0.2678-0.0000 ( 985 PWs) bands (ev): -40.6792 -40.6792 -16.5187 -16.5187 -14.1150 -14.1150 -13.9735 -13.9735 7.2705 7.2705 13.3944 13.3944 15.1711 15.1711 16.3537 16.3537 16.8774 16.8774 20.2618 20.2618 21.1211 21.1211 22.3928 22.3928 24.6333 24.6333 27.1519 27.1519 k = 0.1498 0.2594-0.0000 ( 981 PWs) bands (ev): -40.6810 -40.6810 -16.5133 -16.5133 -14.1068 -14.1068 -13.9690 -13.9690 7.1888 7.1888 13.4808 13.4808 15.2363 15.2363 16.4012 16.4012 16.8071 16.8071 20.3345 20.3345 21.1977 21.1977 22.3677 22.3677 24.4883 24.4883 27.1919 27.1919 k = 0.1449 0.2510-0.0000 ( 981 PWs) bands (ev): -40.6829 -40.6829 -16.5080 -16.5080 -14.0987 -14.0987 -13.9643 -13.9643 7.1090 7.1090 13.5679 13.5679 15.2969 15.2969 16.4513 16.4513 16.7390 16.7390 20.4043 20.4043 21.2768 21.2768 22.3482 22.3482 24.3440 24.3440 27.2372 27.2372 k = 0.1401 0.2427-0.0000 ( 989 PWs) bands (ev): -40.6851 -40.6851 -16.5029 -16.5029 -14.0910 -14.0910 -13.9595 -13.9595 7.0312 7.0312 13.6557 13.6557 15.3527 15.3527 16.5037 16.5037 16.6734 16.6734 20.4709 20.4709 21.3586 21.3586 22.3348 22.3348 24.2004 24.2004 27.2877 27.2877 k = 0.1353 0.2343-0.0000 ( 989 PWs) bands (ev): -40.6870 -40.6870 -16.4977 -16.4977 -14.0834 -14.0834 -13.9543 -13.9543 6.9555 6.9555 13.7441 13.7441 15.4035 15.4035 16.5568 16.5568 16.6119 16.6119 20.5345 20.5345 21.4428 21.4428 22.3281 22.3281 24.0575 24.0575 27.3434 27.3434 k = 0.1304 0.2259-0.0000 ( 983 PWs) bands (ev): -40.6887 -40.6887 -16.4925 -16.4925 -14.0760 -14.0760 -13.9488 -13.9488 6.8819 6.8819 13.8329 13.8329 15.4494 15.4494 16.5452 16.5452 16.6198 16.6198 20.5948 20.5948 21.5296 21.5296 22.3286 22.3286 23.9156 23.9156 27.4042 27.4042 k = 0.1256 0.2176-0.0000 ( 983 PWs) bands (ev): -40.6905 -40.6905 -16.4874 -16.4874 -14.0691 -14.0691 -13.9431 -13.9431 6.8104 6.8104 13.9220 13.9220 15.4902 15.4902 16.4876 16.4876 16.6783 16.6783 20.6519 20.6519 21.6187 21.6187 22.3365 22.3365 23.7746 23.7746 27.4698 27.4698 k = 0.1208 0.2092-0.0000 ( 987 PWs) bands (ev): -40.6925 -40.6925 -16.4825 -16.4825 -14.0625 -14.0625 -13.9371 -13.9371 6.7411 6.7411 14.0112 14.0112 15.5260 15.5260 16.4315 16.4315 16.7400 16.7400 20.7057 20.7057 21.7102 21.7102 22.3520 22.3520 23.6348 23.6348 27.5401 27.5401 k = 0.1159 0.2008-0.0000 ( 987 PWs) bands (ev): -40.6943 -40.6943 -16.4776 -16.4776 -14.0564 -14.0564 -13.9309 -13.9309 6.6741 6.6741 14.1003 14.1003 15.5567 15.5567 16.3777 16.3777 16.8039 16.8039 20.7563 20.7563 21.8040 21.8040 22.3754 22.3754 23.4962 23.4962 27.6146 27.6146 k = 0.1111 0.1925-0.0000 ( 987 PWs) bands (ev): -40.6961 -40.6961 -16.4728 -16.4728 -14.0506 -14.0506 -13.9243 -13.9243 6.6093 6.6093 14.1892 14.1892 15.5826 15.5826 16.3263 16.3263 16.8698 16.8698 20.8038 20.8038 21.9001 21.9001 22.4066 22.4066 23.3589 23.3589 27.5924 27.5924 k = 0.1063 0.1841-0.0000 ( 987 PWs) bands (ev): -40.6978 -40.6978 -16.4682 -16.4682 -14.0453 -14.0453 -13.9176 -13.9176 6.5469 6.5469 14.2776 14.2776 15.6036 15.6036 16.2775 16.2775 16.9374 16.9374 20.8481 20.8481 21.9982 21.9982 22.4458 22.4458 23.2232 23.2232 27.4450 27.4450 k = 0.1014 0.1757-0.0000 ( 983 PWs) bands (ev): -40.6994 -40.6994 -16.4636 -16.4636 -14.0403 -14.0403 -13.9106 -13.9106 6.4869 6.4869 14.3653 14.3653 15.6201 15.6201 16.2314 16.2314 17.0066 17.0066 20.8894 20.8894 22.0985 22.0985 22.4928 22.4928 23.0892 23.0892 27.2978 27.2978 k = 0.0966 0.1673-0.0000 ( 989 PWs) bands (ev): -40.7012 -40.7012 -16.4594 -16.4594 -14.0358 -14.0358 -13.9036 -13.9036 6.4292 6.4292 14.4521 14.4521 15.6322 15.6322 16.1879 16.1879 17.0772 17.0772 20.9277 20.9277 22.2006 22.2006 22.5473 22.5473 22.9572 22.9572 27.1518 27.1518 k = 0.0918 0.1590-0.0000 ( 989 PWs) bands (ev): -40.7028 -40.7028 -16.4552 -16.4552 -14.0317 -14.0317 -13.8964 -13.8964 6.3740 6.3740 14.5377 14.5377 15.6403 15.6403 16.1472 16.1472 17.1490 17.1490 20.9631 20.9631 22.3046 22.3046 22.6086 22.6086 22.8280 22.8280 27.0075 27.0075 k = 0.0870 0.1506-0.0000 ( 989 PWs) bands (ev): -40.7044 -40.7044 -16.4511 -16.4511 -14.0280 -14.0280 -13.8892 -13.8892 6.3214 6.3214 14.6219 14.6219 15.6446 15.6446 16.1092 16.1092 17.2218 17.2218 20.9958 20.9958 22.4101 22.4101 22.6651 22.6651 22.7136 22.7136 26.8656 26.8656 k = 0.0821 0.1422-0.0000 ( 985 PWs) bands (ev): -40.7057 -40.7057 -16.4472 -16.4472 -14.0245 -14.0245 -13.8819 -13.8819 6.2713 6.2713 14.7043 14.7043 15.6454 15.6454 16.0739 16.0739 17.2952 17.2952 21.0258 21.0258 22.5135 22.5135 22.5735 22.5735 22.7604 22.7604 26.7266 26.7266 k = 0.0773 0.1339-0.0000 ( 985 PWs) bands (ev): -40.7072 -40.7072 -16.4435 -16.4435 -14.0214 -14.0214 -13.8748 -13.8748 6.2238 6.2238 14.7847 14.7847 15.6433 15.6433 16.0412 16.0412 17.3691 17.3691 21.0532 21.0532 22.4450 22.4450 22.6297 22.6297 22.8426 22.8426 26.5911 26.5911 k = 0.0725 0.1255-0.0000 ( 991 PWs) bands (ev): -40.7087 -40.7087 -16.4401 -16.4401 -14.0187 -14.0187 -13.8679 -13.8679 6.1789 6.1789 14.8628 14.8628 15.6386 15.6386 16.0112 16.0112 17.4431 17.4431 21.0781 21.0781 22.3262 22.3262 22.7396 22.7396 22.9320 22.9320 26.4597 26.4597 k = 0.0676 0.1171-0.0000 ( 991 PWs) bands (ev): -40.7100 -40.7100 -16.4368 -16.4368 -14.0162 -14.0162 -13.8611 -13.8611 6.1367 6.1367 14.9381 14.9381 15.6318 15.6318 15.9837 15.9837 17.5168 17.5168 21.1007 21.1007 22.2099 22.2099 22.8517 22.8517 23.0274 23.0274 26.3331 26.3331 k = 0.0628 0.1088-0.0000 ( 993 PWs) bands (ev): -40.7113 -40.7113 -16.4337 -16.4337 -14.0140 -14.0140 -13.8545 -13.8545 6.0972 6.0972 15.0103 15.0103 15.6233 15.6233 15.9586 15.9586 17.5899 17.5899 21.1211 21.1211 22.0972 22.0972 22.9653 22.9653 23.1283 23.1283 26.2117 26.2117 k = 0.0580 0.1004-0.0000 ( 997 PWs) bands (ev): -40.7125 -40.7125 -16.4309 -16.4309 -14.0120 -14.0120 -13.8483 -13.8483 6.0605 6.0605 15.0791 15.0791 15.6137 15.6137 15.9358 15.9358 17.6619 17.6619 21.1393 21.1393 21.9886 21.9886 23.0805 23.0805 23.2338 23.2338 26.0964 26.0964 k = 0.0531 0.0920-0.0000 ( 997 PWs) bands (ev): -40.7136 -40.7136 -16.4282 -16.4282 -14.0102 -14.0102 -13.8423 -13.8423 6.0266 6.0266 15.1442 15.1442 15.6034 15.6034 15.9151 15.9151 17.7323 17.7323 21.1555 21.1555 21.8847 21.8847 23.1971 23.1971 23.3434 23.3434 25.9875 25.9875 k = 0.0483 0.0837-0.0000 ( 1001 PWs) bands (ev): -40.7147 -40.7147 -16.4258 -16.4258 -14.0086 -14.0086 -13.8368 -13.8368 5.9955 5.9955 15.2050 15.2050 15.5928 15.5928 15.8964 15.8964 17.8005 17.8005 21.1697 21.1697 21.7862 21.7862 23.3150 23.3150 23.4563 23.4563 25.8858 25.8858 k = 0.0435 0.0753-0.0000 ( 1001 PWs) bands (ev): -40.7156 -40.7156 -16.4236 -16.4236 -14.0072 -14.0072 -13.8316 -13.8316 5.9673 5.9673 15.2612 15.2612 15.5824 15.5824 15.8797 15.8797 17.8658 17.8658 21.1819 21.1819 21.6937 21.6937 23.4340 23.4340 23.5719 23.5719 25.7918 25.7918 k = 0.0386 0.0669-0.0000 ( 1001 PWs) bands (ev): -40.7164 -40.7164 -16.4215 -16.4215 -14.0059 -14.0059 -13.8269 -13.8269 5.9419 5.9419 15.3123 15.3123 15.5726 15.5726 15.8648 15.8648 17.9276 17.9276 21.1921 21.1921 21.6081 21.6081 23.5538 23.5538 23.6893 23.6893 25.7061 25.7061 k = 0.0338 0.0586-0.0000 ( 1001 PWs) bands (ev): -40.7171 -40.7171 -16.4198 -16.4198 -14.0049 -14.0049 -13.8227 -13.8227 5.9195 5.9195 15.3580 15.3580 15.5638 15.5638 15.8517 15.8517 17.9850 17.9850 21.2003 21.2003 21.5303 21.5303 23.6736 23.6736 23.8075 23.8075 25.6291 25.6291 k = 0.0290 0.0502-0.0000 ( 1009 PWs) bands (ev): -40.7180 -40.7180 -16.4183 -16.4183 -14.0040 -14.0040 -13.8191 -13.8191 5.9000 5.9000 15.3976 15.3976 15.5563 15.5563 15.8404 15.8404 18.0372 18.0372 21.2060 21.2060 21.4616 21.4616 23.7926 23.7926 23.9253 23.9253 25.5612 25.5612 k = 0.0242 0.0418-0.0000 ( 1001 PWs) bands (ev): -40.7183 -40.7183 -16.4169 -16.4169 -14.0032 -14.0032 -13.8158 -13.8158 5.8835 5.8835 15.4306 15.4306 15.5509 15.5509 15.8309 15.8309 18.0835 18.0835 21.2090 21.2090 21.4032 21.4032 23.9093 23.9093 24.0412 24.0412 25.5026 25.5026 k = 0.0193 0.0335-0.0000 ( 999 PWs) bands (ev): -40.7186 -40.7186 -16.4158 -16.4158 -14.0026 -14.0026 -13.8131 -13.8131 5.8699 5.8699 15.4563 15.4563 15.5479 15.5479 15.8230 15.8230 18.1228 18.1228 21.2085 21.2085 21.3569 21.3569 24.0212 24.0212 24.1525 24.1525 25.4485 25.4485 k = 0.0145 0.0251-0.0000 ( 997 PWs) bands (ev): -40.7189 -40.7189 -16.4149 -16.4149 -14.0021 -14.0021 -13.8111 -13.8111 5.8594 5.8594 15.4740 15.4740 15.5480 15.5480 15.8169 15.8169 18.1544 18.1544 21.2040 21.2040 21.3239 21.3239 24.1242 24.1242 24.2552 24.2552 25.3484 25.3484 k = 0.0097 0.0167-0.0000 ( 997 PWs) bands (ev): -40.7192 -40.7192 -16.4143 -16.4143 -14.0017 -14.0017 -13.8096 -13.8096 5.8518 5.8518 15.4844 15.4844 15.5504 15.5504 15.8125 15.8125 18.1776 18.1776 21.1965 21.1965 21.3039 21.3039 24.2115 24.2115 24.3423 24.3423 25.2558 25.2558 k = 0.0048 0.0084-0.0000 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4140 -16.4140 -14.0015 -14.0015 -13.8087 -13.8087 5.8473 5.8473 15.4892 15.4892 15.5532 15.5532 15.8099 15.8099 18.1917 18.1917 21.1897 21.1897 21.2940 21.2940 24.2725 24.2725 24.4034 24.4034 25.1912 25.1912 k = 0.0000 0.0000 0.0000 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4138 -16.4138 -14.0014 -14.0014 -13.8084 -13.8084 5.8458 5.8458 15.4906 15.4906 15.5544 15.5544 15.8090 15.8090 18.1965 18.1965 21.1869 21.1869 21.2911 21.2911 24.2949 24.2949 24.4258 24.4258 25.1676 25.1676 k = 0.0000 0.0000 0.0000 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4138 -16.4138 -14.0014 -14.0014 -13.8084 -13.8084 5.8458 5.8458 15.4906 15.4906 15.5544 15.5544 15.8090 15.8090 18.1965 18.1965 21.1869 21.1869 21.2911 21.2911 24.2949 24.2949 24.4258 24.4258 25.1676 25.1676 k = 0.0000 0.0000 0.0096 ( 997 PWs) bands (ev): -40.7193 -40.7193 -16.4140 -16.4140 -14.0017 -14.0017 -13.8083 -13.8083 5.8475 5.8475 15.4919 15.4919 15.5557 15.5557 15.8051 15.8051 18.1993 18.1993 21.1798 21.1798 21.2839 21.2839 24.2908 24.2908 24.4216 24.4216 25.1774 25.1774 k = 0.0000 0.0000 0.0191 ( 997 PWs) bands (ev): -40.7192 -40.7192 -16.4144 -16.4144 -14.0026 -14.0026 -13.8082 -13.8082 5.8528 5.8528 15.4956 15.4956 15.5594 15.5594 15.7934 15.7934 18.2077 18.2077 21.1586 21.1586 21.2623 21.2623 24.2785 24.2785 24.4092 24.4092 25.2064 25.2064 k = 0.0000 0.0000 0.0287 ( 997 PWs) bands (ev): -40.7190 -40.7190 -16.4150 -16.4150 -14.0040 -14.0040 -13.8080 -13.8080 5.8616 5.8616 15.5018 15.5018 15.5657 15.5657 15.7739 15.7739 18.2217 18.2217 21.1239 21.1239 21.2272 21.2272 24.2582 24.2582 24.3886 24.3886 25.2541 25.2541 k = 0.0000 0.0000 0.0383 ( 1009 PWs) bands (ev): -40.7192 -40.7192 -16.4160 -16.4160 -14.0062 -14.0062 -13.8078 -13.8078 5.8739 5.8739 15.5105 15.5105 15.5744 15.5744 15.7469 15.7469 18.2411 18.2411 21.0768 21.0768 21.1794 21.1794 24.2298 24.2298 24.3598 24.3598 25.3195 25.3195 k = 0.0000 0.0000 0.0478 ( 1009 PWs) bands (ev): -40.7189 -40.7189 -16.4172 -16.4172 -14.0087 -14.0087 -13.8074 -13.8074 5.8896 5.8896 15.5217 15.5217 15.5857 15.5857 15.7126 15.7126 18.2658 18.2658 21.0184 21.0184 21.1201 21.1201 24.1936 24.1936 24.3232 24.3232 25.3635 25.3635 k = 0.0000 0.0000 0.0574 ( 1009 PWs) bands (ev): -40.7185 -40.7185 -16.4185 -16.4185 -14.0118 -14.0118 -13.8069 -13.8069 5.9088 5.9088 15.5354 15.5354 15.5994 15.5994 15.6712 15.6712 18.2957 18.2957 20.9502 20.9502 21.0509 21.0509 24.1499 24.1499 24.2788 24.2788 25.3606 25.3606 k = 0.0000 0.0000 0.0670 ( 1009 PWs) bands (ev): -40.7181 -40.7181 -16.4202 -16.4202 -14.0154 -14.0154 -13.8064 -13.8064 5.9314 5.9314 15.5516 15.5516 15.6157 15.6157 15.6230 15.6230 18.3305 18.3305 20.8735 20.8735 20.9731 20.9731 24.0988 24.0988 24.2270 24.2270 25.3571 25.3571 k = 0.0000 0.0000 0.0765 ( 991 PWs) bands (ev): -40.7171 -40.7171 -16.4218 -16.4218 -14.0192 -14.0192 -13.8056 -13.8056 5.9575 5.9575 15.5685 15.5685 15.5703 15.5703 15.6344 15.6344 18.3701 18.3701 20.7897 20.7897 20.8880 20.8880 24.0405 24.0405 24.1679 24.1679 25.3532 25.3532 k = 0.0000 0.0000 0.0861 ( 997 PWs) bands (ev): -40.7167 -40.7167 -16.4240 -16.4240 -14.0239 -14.0239 -13.8049 -13.8049 5.9868 5.9868 15.5078 15.5078 15.5914 15.5914 15.6556 15.6556 18.4143 18.4143 20.7000 20.7000 20.7970 20.7970 23.9755 23.9755 24.1018 24.1018 25.3487 25.3487 k = 0.0000 0.0000 0.0957 ( 997 PWs) bands (ev): -40.7161 -40.7161 -16.4263 -16.4263 -14.0289 -14.0289 -13.8042 -13.8042 6.0194 6.0194 15.4413 15.4413 15.6151 15.6151 15.6794 15.6794 18.4629 18.4629 20.6056 20.6056 20.7011 20.7011 23.9039 23.9039 24.0292 24.0292 25.3438 25.3438 k = 0.0000 0.0000 0.1052 ( 991 PWs) bands (ev): -40.7153 -40.7153 -16.4288 -16.4288 -14.0343 -14.0343 -13.8033 -13.8033 6.0554 6.0554 15.3695 15.3695 15.6412 15.6412 15.7056 15.7056 18.5158 18.5158 20.5076 20.5076 20.6016 20.6016 23.8261 23.8261 23.9502 23.9502 25.3385 25.3385 k = 0.0000 0.0000 0.1148 ( 991 PWs) bands (ev): -40.7146 -40.7146 -16.4316 -16.4316 -14.0402 -14.0402 -13.8023 -13.8023 6.0945 6.0945 15.2926 15.2926 15.6697 15.6697 15.7342 15.7342 18.5728 18.5728 20.4069 20.4069 20.4993 20.4993 23.7424 23.7424 23.8653 23.8653 25.3327 25.3327 k = 0.0000 0.0000 0.1243 ( 979 PWs) bands (ev): -40.7134 -40.7134 -16.4344 -16.4344 -14.0464 -14.0464 -13.8012 -13.8012 6.1367 6.1367 15.2109 15.2109 15.7008 15.7008 15.7654 15.7654 18.6337 18.6337 20.3043 20.3043 20.3950 20.3950 23.6532 23.6532 23.7749 23.7749 25.3265 25.3265 k = 0.0000 0.0000 0.1339 ( 979 PWs) bands (ev): -40.7126 -40.7126 -16.4376 -16.4376 -14.0531 -14.0531 -13.8001 -13.8001 6.1820 6.1820 15.1248 15.1248 15.7343 15.7343 15.7990 15.7990 18.6985 18.6985 20.2005 20.2005 20.2894 20.2894 23.5589 23.5589 23.6792 23.6792 25.3200 25.3200 k = 0.0000 0.0000 0.1435 ( 979 PWs) bands (ev): -40.7118 -40.7118 -16.4410 -16.4410 -14.0600 -14.0600 -13.7990 -13.7990 6.2303 6.2303 15.0346 15.0346 15.7702 15.7702 15.8351 15.8351 18.7668 18.7668 20.0962 20.0962 20.1832 20.1832 23.4596 23.4596 23.5785 23.5785 25.3131 25.3131 k = 0.0000 0.0000 0.1530 ( 979 PWs) bands (ev): -40.7109 -40.7109 -16.4446 -16.4446 -14.0673 -14.0673 -13.7978 -13.7978 6.2815 6.2815 14.9406 14.9406 15.8086 15.8086 15.8736 15.8736 18.8385 18.8385 19.9920 19.9920 20.0768 20.0768 23.3559 23.3559 23.4734 23.4734 25.3059 25.3059 k = 0.0000 0.0000 0.1626 ( 979 PWs) bands (ev): -40.7099 -40.7099 -16.4484 -16.4484 -14.0748 -14.0748 -13.7966 -13.7966 6.3356 6.3356 14.8431 14.8431 15.8495 15.8495 15.9146 15.9146 18.9134 18.9134 19.8885 19.8885 19.9707 19.9707 23.2480 23.2480 23.3641 23.3641 25.2984 25.2984 k = 0.0000 0.0000 0.1722 ( 979 PWs) bands (ev): -40.7090 -40.7090 -16.4523 -16.4523 -14.0825 -14.0825 -13.7954 -13.7954 6.3924 6.3924 14.7424 14.7424 15.8928 15.8928 15.9581 15.9581 18.9912 18.9912 19.7862 19.7862 19.8653 19.8653 23.1363 23.1363 23.2509 23.2509 25.2906 25.2906 k = 0.0000 0.0000 0.1817 ( 973 PWs) bands (ev): -40.7078 -40.7078 -16.4563 -16.4563 -14.0904 -14.0904 -13.7940 -13.7940 6.4519 6.4519 14.6388 14.6388 15.9385 15.9385 16.0040 16.0040 19.0712 19.0712 19.6860 19.6860 19.7610 19.7610 23.0211 23.0211 23.1343 23.1343 25.2826 25.2826 k = 0.0000 0.0000 0.1913 ( 973 PWs) bands (ev): -40.7068 -40.7068 -16.4605 -16.4605 -14.0984 -14.0984 -13.7927 -13.7927 6.5140 6.5140 14.5325 14.5325 15.9866 15.9866 16.0523 16.0523 19.1518 19.1518 19.5896 19.5896 19.6581 19.6581 22.9027 22.9027 23.0144 23.0144 25.2743 25.2743 k = 0.0000 0.0000 0.2009 ( 973 PWs) bands (ev): -40.7057 -40.7057 -16.4649 -16.4649 -14.1067 -14.1067 -13.7913 -13.7913 6.5787 6.5787 14.4238 14.4238 16.0371 16.0371 16.1030 16.1030 19.2281 19.2281 19.5022 19.5022 19.5567 19.5567 22.7814 22.7814 22.8917 22.8917 25.2659 25.2659 k = 0.0000 0.0000 0.2104 ( 973 PWs) bands (ev): -40.7047 -40.7047 -16.4694 -16.4694 -14.1150 -14.1150 -13.7899 -13.7899 6.6457 6.6457 14.3129 14.3129 16.0901 16.0901 16.1562 16.1562 19.2753 19.2753 19.4485 19.4485 19.4572 19.4572 22.6576 22.6576 22.7664 22.7664 25.2574 25.2574 k = 0.0000 0.0000 0.2200 ( 973 PWs) bands (ev): -40.7036 -40.7036 -16.4740 -16.4740 -14.1233 -14.1233 -13.7885 -13.7885 6.7150 6.7150 14.2002 14.2002 16.1454 16.1454 16.2117 16.2117 19.2413 19.2413 19.3597 19.3597 19.4808 19.4808 22.5314 22.5314 22.6388 22.6388 25.2487 25.2487 k = 0.0000 0.0000 0.2296 ( 973 PWs) bands (ev): -40.7025 -40.7025 -16.4786 -16.4786 -14.1317 -14.1317 -13.7871 -13.7871 6.7864 6.7864 14.0858 14.0858 16.2031 16.2031 16.2697 16.2697 19.1639 19.1639 19.2645 19.2645 19.5611 19.5611 22.4032 22.4032 22.5092 22.5092 25.2399 25.2399 k = 0.0000 0.0000 0.2391 ( 973 PWs) bands (ev): -40.7014 -40.7014 -16.4834 -16.4834 -14.1401 -14.1401 -13.7856 -13.7856 6.8600 6.8600 13.9700 13.9700 16.2632 16.2632 16.3300 16.3300 19.0787 19.0787 19.1717 19.1717 19.6541 19.6541 22.2732 22.2732 22.3778 22.3778 25.2311 25.2311 k = 0.0000 0.0000 0.2487 ( 973 PWs) bands (ev): -40.7003 -40.7003 -16.4882 -16.4882 -14.1484 -14.1484 -13.7842 -13.7842 6.9355 6.9355 13.8530 13.8530 16.3257 16.3257 16.3927 16.3927 18.9927 18.9927 19.0813 19.0813 19.7524 19.7524 22.1416 22.1416 22.2449 22.2449 25.2223 25.2223 k = 0.0000 0.0000 0.2583 ( 973 PWs) bands (ev): -40.6992 -40.6992 -16.4930 -16.4930 -14.1566 -14.1566 -13.7827 -13.7827 7.0128 7.0128 13.7351 13.7351 16.3905 16.3905 16.4578 16.4578 18.9082 18.9082 18.9937 18.9937 19.8539 19.8539 22.0087 22.0087 22.1107 22.1107 25.2135 25.2135 k = 0.0000 0.0000 0.2678 ( 973 PWs) bands (ev): -40.6980 -40.6980 -16.4979 -16.4979 -14.1648 -14.1648 -13.7813 -13.7813 7.0917 7.0917 13.6165 13.6165 16.4576 16.4576 16.5252 16.5252 18.8256 18.8256 18.9088 18.9088 19.9578 19.9578 21.8748 21.8748 21.9754 21.9754 25.2047 25.2047 k = 0.0000 0.0000 0.2774 ( 997 PWs) bands (ev): -40.6977 -40.6977 -16.5030 -16.5030 -14.1731 -14.1731 -13.7800 -13.7800 7.1721 7.1721 13.4975 13.4975 16.5270 16.5270 16.5949 16.5949 18.7456 18.7456 18.8268 18.8268 20.0634 20.0634 21.7399 21.7399 21.8393 21.8393 25.1959 25.1959 k = 0.0000 0.0000 0.2870 ( 997 PWs) bands (ev): -40.6967 -40.6967 -16.5079 -16.5079 -14.1810 -14.1810 -13.7786 -13.7786 7.2540 7.2540 13.3783 13.3783 16.5988 16.5988 16.6670 16.6670 18.6682 18.6682 18.7478 18.7478 20.1704 20.1704 21.6044 21.6044 21.7025 21.7025 25.1873 25.1873 k = 0.0000 0.0000 0.2965 ( 997 PWs) bands (ev): -40.6956 -40.6956 -16.5127 -16.5127 -14.1887 -14.1887 -13.7772 -13.7772 7.3370 7.3370 13.2591 13.2591 16.6728 16.6728 16.7414 16.7414 18.5937 18.5937 18.6718 18.6718 20.2783 20.2783 21.4683 21.4683 21.5653 21.5653 25.1789 25.1789 k = 0.0000 0.0000 0.3061 ( 997 PWs) bands (ev): -40.6945 -40.6945 -16.5174 -16.5174 -14.1962 -14.1962 -13.7758 -13.7758 7.4211 7.4211 13.1402 13.1402 16.7492 16.7492 16.8181 16.8181 18.5222 18.5222 18.5990 18.5990 20.3868 20.3868 21.3319 21.3319 21.4277 21.4277 25.1706 25.1706 k = 0.0000 0.0000 0.3156 ( 997 PWs) bands (ev): -40.6935 -40.6935 -16.5221 -16.5221 -14.2034 -14.2034 -13.7744 -13.7744 7.5059 7.5059 13.0219 13.0219 16.8277 16.8277 16.8971 16.8971 18.4538 18.4538 18.5293 18.5293 20.4954 20.4954 21.1953 21.1953 21.2900 21.2900 25.1625 25.1625 k = 0.0000 0.0000 0.3252 ( 997 PWs) bands (ev): -40.6925 -40.6925 -16.5266 -16.5266 -14.2104 -14.2104 -13.7731 -13.7731 7.5914 7.5914 12.9045 12.9045 16.9085 16.9085 16.9783 16.9783 18.3885 18.3885 18.4630 18.4630 20.6037 20.6037 21.0587 21.0587 21.1523 21.1523 25.1547 25.1547 k = 0.0000 0.0000 0.3348 ( 1009 PWs) bands (ev): -40.6919 -40.6919 -16.5312 -16.5312 -14.2172 -14.2172 -13.7721 -13.7721 7.6771 7.6771 12.7882 12.7882 16.9915 16.9915 17.0617 17.0617 18.3264 18.3264 18.3999 18.3999 20.7112 20.7112 20.9223 20.9223 21.0147 21.0147 25.1471 25.1471 k = 0.0000 0.0000 0.3443 ( 1009 PWs) bands (ev): -40.6910 -40.6910 -16.5355 -16.5355 -14.2237 -14.2237 -13.7708 -13.7708 7.7629 7.7629 12.6734 12.6734 17.0767 17.0767 17.1474 17.1474 18.2676 18.2676 18.3403 18.3403 20.7860 20.7860 20.8176 20.8176 20.8775 20.8775 25.1398 25.1398 k = 0.0000 0.0000 0.3539 ( 1009 PWs) bands (ev): -40.6901 -40.6901 -16.5397 -16.5397 -14.2298 -14.2298 -13.7697 -13.7697 7.8485 7.8485 12.5604 12.5604 17.1640 17.1640 17.2353 17.2353 18.2122 18.2122 18.2842 18.2842 20.6502 20.6502 20.7406 20.7406 20.9221 20.9221 25.1328 25.1328 k = 0.0000 0.0000 0.3635 ( 1009 PWs) bands (ev): -40.6893 -40.6893 -16.5437 -16.5437 -14.2356 -14.2356 -13.7685 -13.7685 7.9334 7.9334 12.4496 12.4496 17.2535 17.2535 17.3253 17.3253 18.1601 18.1601 18.2315 18.2315 20.5149 20.5149 20.6044 20.6044 21.0243 21.0243 25.1261 25.1261 k = 0.0000 0.0000 0.3730 ( 1009 PWs) bands (ev): -40.6884 -40.6884 -16.5475 -16.5475 -14.2411 -14.2411 -13.7675 -13.7675 8.0173 8.0173 12.3416 12.3416 17.3449 17.3449 17.4175 17.4175 18.1115 18.1115 18.1825 18.1825 20.3802 20.3802 20.4688 20.4688 21.1236 21.1236 25.1198 25.1198 k = 0.0000 0.0000 0.3826 ( 1009 PWs) bands (ev): -40.6877 -40.6877 -16.5511 -16.5511 -14.2462 -14.2462 -13.7665 -13.7665 8.0997 8.0997 12.2366 12.2366 17.4384 17.4384 17.5118 17.5118 18.0663 18.0663 18.1371 18.1371 20.2463 20.2463 20.3339 20.3339 21.2193 21.2193 25.1138 25.1138 k = 0.0000 0.0000 0.3922 ( 1003 PWs) bands (ev): -40.6868 -40.6868 -16.5544 -16.5544 -14.2508 -14.2508 -13.7655 -13.7655 8.1802 8.1802 12.1354 12.1354 17.5337 17.5337 17.6082 17.6082 18.0246 18.0246 18.0955 18.0955 20.1132 20.1132 20.2000 20.2000 21.3109 21.3109 25.1083 25.1083 k = 0.0000 0.0000 0.4017 ( 1003 PWs) bands (ev): -40.6861 -40.6861 -16.5575 -16.5575 -14.2552 -14.2552 -13.7647 -13.7647 8.2580 8.2580 12.0386 12.0386 17.6305 17.6305 17.7067 17.7067 17.9865 17.9865 18.0581 18.0581 19.9810 19.9810 20.0670 20.0670 21.3976 21.3976 25.1032 25.1032 k = 0.0000 0.0000 0.4113 ( 1003 PWs) bands (ev): -40.6855 -40.6855 -16.5604 -16.5604 -14.2592 -14.2592 -13.7639 -13.7639 8.3326 8.3326 11.9467 11.9467 17.7281 17.7281 17.8072 17.8072 17.9519 17.9519 18.0255 18.0255 19.8498 19.8498 19.9351 19.9351 21.4787 21.4787 25.0985 25.0985 k = 0.0000 0.0000 0.4209 ( 997 PWs) bands (ev): -40.6848 -40.6848 -16.5630 -16.5630 -14.2627 -14.2627 -13.7631 -13.7631 8.4031 8.4031 11.8607 11.8607 17.8239 17.8239 17.9097 17.9097 17.9209 17.9209 18.0005 18.0005 19.7198 19.7198 19.8044 19.8044 21.5537 21.5537 25.0942 25.0942 k = 0.0000 0.0000 0.4304 ( 997 PWs) bands (ev): -40.6843 -40.6843 -16.5653 -16.5653 -14.2659 -14.2659 -13.7624 -13.7624 8.4688 8.4688 11.7813 11.7813 17.8935 17.8935 17.9008 17.9008 17.9998 17.9998 18.0141 18.0141 19.5909 19.5909 19.6749 19.6749 21.6217 21.6217 25.0905 25.0905 k = 0.0000 0.0000 0.4400 ( 997 PWs) bands (ev): -40.6839 -40.6839 -16.5674 -16.5674 -14.2687 -14.2687 -13.7619 -13.7619 8.5286 8.5286 11.7095 11.7095 17.8697 17.8697 17.9156 17.9156 18.0670 18.0670 18.1204 18.1204 19.4633 19.4633 19.5469 19.5469 21.6823 21.6823 25.0872 25.0872 k = 0.0000 0.0000 0.4496 ( 997 PWs) bands (ev): -40.6835 -40.6835 -16.5692 -16.5692 -14.2710 -14.2710 -13.7614 -13.7614 8.5817 8.5817 11.6463 11.6463 17.8496 17.8496 17.9035 17.9035 18.1666 18.1666 18.2285 18.2285 19.3371 19.3371 19.4204 19.4204 21.7347 21.7347 25.0844 25.0844 k = 0.0000 0.0000 0.4591 ( 1003 PWs) bands (ev): -40.6834 -40.6834 -16.5707 -16.5707 -14.2730 -14.2730 -13.7610 -13.7610 8.6269 8.6269 11.5928 11.5928 17.8331 17.8331 17.8897 17.8897 18.2735 18.2735 18.3381 18.3381 19.2123 19.2123 19.2956 19.2956 21.7784 21.7784 25.0821 25.0821 k = 0.0000 0.0000 0.4687 ( 1003 PWs) bands (ev): -40.6832 -40.6832 -16.5718 -16.5718 -14.2745 -14.2745 -13.7607 -13.7607 8.6634 8.6634 11.5499 11.5499 17.8202 17.8202 17.8780 17.8780 18.3838 18.3838 18.4490 18.4490 19.0889 19.0889 19.1728 19.1728 21.8129 21.8129 25.0802 25.0802 k = 0.0000 0.0000 0.4783 ( 1003 PWs) bands (ev): -40.6830 -40.6830 -16.5726 -16.5726 -14.2756 -14.2756 -13.7605 -13.7605 8.6901 8.6901 11.5185 11.5185 17.8110 17.8110 17.8694 17.8694 18.4964 18.4964 18.5603 18.5603 18.9672 18.9672 19.0531 19.0531 21.8379 21.8379 25.0789 25.0789 k = 0.0000 0.0000 0.4878 ( 997 PWs) bands (ev): -40.6827 -40.6827 -16.5730 -16.5730 -14.2762 -14.2762 -13.7604 -13.7604 8.7065 8.7065 11.4994 11.4994 17.8055 17.8055 17.8642 17.8642 18.6110 18.6110 18.6681 18.6681 18.8473 18.8473 18.9403 18.9403 21.8530 21.8530 25.0782 25.0782 k = 0.0000 0.0000 0.4974 ( 996 PWs) bands (ev): -40.6826 -40.6826 -16.5732 -16.5732 -14.2764 -14.2764 -13.7603 -13.7603 8.7121 8.7121 11.4930 11.4930 17.8037 17.8037 17.8625 17.8625 18.7166 18.7166 18.7366 18.7366 18.7399 18.7399 18.8700 18.8700 21.8580 21.8580 25.0779 25.0779 k = 0.0000 0.0000 0.4974 ( 996 PWs) bands (ev): -40.6826 -40.6826 -16.5732 -16.5732 -14.2764 -14.2764 -13.7603 -13.7603 8.7121 8.7121 11.4930 11.4930 17.8037 17.8037 17.8625 17.8625 18.7166 18.7166 18.7366 18.7366 18.7399 18.7399 18.8700 18.8700 21.8580 21.8580 25.0779 25.0779 k = 0.0083 0.0048 0.4974 ( 996 PWs) bands (ev): -40.6826 -40.6826 -16.5732 -16.5732 -14.2764 -14.2764 -13.7606 -13.7606 8.7121 8.7121 11.4951 11.4951 17.7829 17.7829 17.8402 17.8402 18.7121 18.7121 18.7606 18.7606 18.7635 18.7635 18.8687 18.8687 21.8586 21.8586 25.0842 25.0842 k = 0.0167 0.0096 0.4974 ( 992 PWs) bands (ev): -40.6823 -40.6823 -16.5734 -16.5734 -14.2766 -14.2766 -13.7614 -13.7614 8.7122 8.7122 11.5015 11.5015 17.7254 17.7254 17.7791 17.7791 18.7056 18.7056 18.8184 18.8184 18.8297 18.8297 18.8657 18.8657 21.8604 21.8604 25.1030 25.1030 k = 0.0250 0.0144 0.4974 ( 990 PWs) bands (ev): -40.6820 -40.6820 -16.5738 -16.5738 -14.2770 -14.2770 -13.7627 -13.7627 8.7123 8.7123 11.5121 11.5121 17.6415 17.6415 17.6913 17.6913 18.6949 18.6949 18.8624 18.8624 18.9024 18.9024 18.9249 18.9249 21.8633 21.8633 25.1341 25.1341 k = 0.0333 0.0192 0.4974 ( 990 PWs) bands (ev): -40.6817 -40.6817 -16.5742 -16.5742 -14.2775 -14.2775 -13.7646 -13.7646 8.7125 8.7125 11.5269 11.5269 17.5407 17.5407 17.5870 17.5870 18.6766 18.6766 18.8628 18.8628 19.0029 19.0029 19.0387 19.0387 21.8673 21.8673 25.1771 25.1771 k = 0.0417 0.0241 0.4974 ( 992 PWs) bands (ev): -40.6813 -40.6813 -16.5749 -16.5749 -14.2782 -14.2782 -13.7671 -13.7671 8.7127 8.7127 11.5459 11.5459 17.4293 17.4293 17.4730 17.4730 18.6487 18.6487 18.8685 18.8685 19.1138 19.1138 19.1649 19.1649 21.8725 21.8725 25.2315 25.2315 k = 0.0500 0.0289 0.4974 ( 992 PWs) bands (ev): -40.6808 -40.6808 -16.5757 -16.5757 -14.2790 -14.2790 -13.7701 -13.7701 8.7130 8.7130 11.5691 11.5691 17.3111 17.3111 17.3538 17.3538 18.6109 18.6109 18.8804 18.8804 19.2309 19.2309 19.2995 19.2995 21.8789 21.8789 25.2967 25.2967 k = 0.0583 0.0337 0.4974 ( 992 PWs) bands (ev): -40.6802 -40.6802 -16.5766 -16.5766 -14.2800 -14.2800 -13.7736 -13.7736 8.7134 8.7134 11.5964 11.5964 17.1880 17.1880 17.2322 17.2322 18.5640 18.5640 18.8980 18.8980 19.3518 19.3518 19.4401 19.4401 21.8864 21.8864 25.3722 25.3722 k = 0.0667 0.0385 0.4974 ( 992 PWs) bands (ev): -40.6795 -40.6795 -16.5776 -16.5776 -14.2811 -14.2811 -13.7776 -13.7776 8.7138 8.7138 11.6278 11.6278 17.0614 17.0614 17.1100 17.1100 18.5093 18.5093 18.9209 18.9209 19.4749 19.4749 19.5853 19.5853 21.8949 21.8949 25.4571 25.4571 k = 0.0750 0.0433 0.4974 ( 988 PWs) bands (ev): -40.6786 -40.6786 -16.5787 -16.5787 -14.2823 -14.2823 -13.7820 -13.7820 8.7143 8.7143 11.6631 11.6631 16.9321 16.9321 16.9884 16.9884 18.4477 18.4477 18.9485 18.9485 19.5994 19.5994 19.7339 19.7339 21.9046 21.9046 25.5507 25.5507 k = 0.0833 0.0481 0.4974 ( 988 PWs) bands (ev): -40.6777 -40.6777 -16.5800 -16.5800 -14.2837 -14.2837 -13.7870 -13.7870 8.7150 8.7150 11.7025 11.7025 16.8009 16.8009 16.8678 16.8678 18.3805 18.3805 18.9803 18.9803 19.7244 19.7244 19.8854 19.8854 21.9154 21.9154 25.6523 25.6523 k = 0.0917 0.0529 0.4974 ( 988 PWs) bands (ev): -40.6767 -40.6767 -16.5815 -16.5815 -14.2852 -14.2852 -13.7923 -13.7923 8.7157 8.7157 11.7457 11.7457 16.6686 16.6686 16.7485 16.7485 18.3085 18.3085 19.0162 19.0162 19.8496 19.8496 20.0393 20.0393 21.9273 21.9273 25.7609 25.7609 k = 0.1000 0.0577 0.4974 ( 988 PWs) bands (ev): -40.6757 -40.6757 -16.5830 -16.5830 -14.2869 -14.2869 -13.7981 -13.7981 8.7165 8.7165 11.7927 11.7927 16.5357 16.5357 16.6308 16.6308 18.2324 18.2324 19.0559 19.0559 19.9746 19.9746 20.1951 20.1951 21.9401 21.9401 25.8757 25.8757 k = 0.1083 0.0625 0.4974 ( 988 PWs) bands (ev): -40.6746 -40.6746 -16.5847 -16.5847 -14.2887 -14.2887 -13.8043 -13.8043 8.7174 8.7174 11.8434 11.8434 16.4026 16.4026 16.5147 16.5147 18.1530 18.1530 19.0993 19.0993 20.0992 20.0992 20.3526 20.3526 21.9540 21.9540 25.9960 25.9960 k = 0.1167 0.0674 0.4974 ( 988 PWs) bands (ev): -40.6734 -40.6734 -16.5866 -16.5866 -14.2907 -14.2907 -13.8108 -13.8108 8.7184 8.7184 11.8977 11.8977 16.2695 16.2695 16.4004 16.4004 18.0710 18.0710 19.1463 19.1463 20.2232 20.2232 20.5115 20.5115 21.9690 21.9690 26.1209 26.1209 k = 0.1250 0.0722 0.4974 ( 992 PWs) bands (ev): -40.6723 -40.6723 -16.5886 -16.5886 -14.2928 -14.2928 -13.8177 -13.8177 8.7195 8.7195 11.9556 11.9556 16.1369 16.1369 16.2879 16.2879 17.9869 17.9869 19.1968 19.1968 20.3465 20.3465 20.6715 20.6715 21.9848 21.9848 26.2497 26.2497 k = 0.1333 0.0770 0.4974 ( 996 PWs) bands (ev): -40.6711 -40.6711 -16.5907 -16.5907 -14.2951 -14.2951 -13.8250 -13.8250 8.7208 8.7208 12.0167 12.0167 16.0049 16.0049 16.1775 16.1775 17.9013 17.9013 19.2506 19.2506 20.4690 20.4690 20.8326 20.8326 22.0017 22.0017 26.3814 26.3814 k = 0.1417 0.0818 0.4974 ( 992 PWs) bands (ev): -40.6696 -40.6696 -16.5929 -16.5929 -14.2974 -14.2974 -13.8324 -13.8324 8.7223 8.7223 12.0812 12.0812 15.8737 15.8737 16.0690 16.0690 17.8147 17.8147 19.3078 19.3078 20.5907 20.5907 20.9943 20.9943 22.0195 22.0195 26.5154 26.5154 k = 0.1500 0.0866 0.4974 ( 992 PWs) bands (ev): -40.6681 -40.6681 -16.5952 -16.5952 -14.2999 -14.2999 -13.8400 -13.8400 8.7239 8.7239 12.1487 12.1487 15.7435 15.7435 15.9626 15.9626 17.7277 17.7277 19.3681 19.3681 20.7115 20.7115 21.1567 21.1567 22.0383 22.0383 26.6507 26.6507 k = 0.1583 0.0914 0.4974 ( 992 PWs) bands (ev): -40.6666 -40.6666 -16.5977 -16.5977 -14.3026 -14.3026 -13.8479 -13.8479 8.7256 8.7256 12.2192 12.2192 15.6144 15.6144 15.8583 15.8583 17.6406 17.6406 19.4317 19.4317 20.8314 20.8314 21.3193 21.3193 22.0581 22.0581 26.7867 26.7867 k = 0.1667 0.0962 0.4974 ( 986 PWs) bands (ev): -40.6649 -40.6649 -16.6002 -16.6002 -14.3053 -14.3053 -13.8559 -13.8559 8.7275 8.7275 12.2925 12.2925 15.4866 15.4866 15.7562 15.7562 17.5539 17.5539 19.4982 19.4982 20.9503 20.9503 21.4820 21.4820 22.0789 22.0789 26.9224 26.9224 k = 0.1750 0.1010 0.4974 ( 990 PWs) bands (ev): -40.6634 -40.6634 -16.6029 -16.6029 -14.3082 -14.3082 -13.8642 -13.8642 8.7296 8.7296 12.3683 12.3683 15.3602 15.3602 15.6563 15.6563 17.4679 17.4679 19.5678 19.5678 21.0683 21.0683 21.6441 21.6441 22.1011 22.1011 27.0570 27.0570 k = 0.1833 0.1058 0.4974 ( 990 PWs) bands (ev): -40.6617 -40.6617 -16.6057 -16.6057 -14.3112 -14.3112 -13.8725 -13.8725 8.7319 8.7319 12.4465 12.4465 15.2353 15.2353 15.5586 15.5586 17.3831 17.3831 19.6403 19.6403 21.1854 21.1854 21.8048 21.8048 22.1255 22.1255 27.1896 27.1896 k = 0.1917 0.1107 0.4974 ( 990 PWs) bands (ev): -40.6600 -40.6600 -16.6086 -16.6086 -14.3144 -14.3144 -13.8809 -13.8809 8.7344 8.7344 12.5269 12.5269 15.1120 15.1120 15.4633 15.4633 17.2998 17.2998 19.7156 19.7156 21.3015 21.3015 21.9607 21.9607 22.1551 22.1551 27.3193 27.3193 k = 0.2000 0.1155 0.4974 ( 990 PWs) bands (ev): -40.6583 -40.6583 -16.6115 -16.6115 -14.3177 -14.3177 -13.8893 -13.8893 8.7370 8.7370 12.6092 12.6092 14.9905 14.9905 15.3702 15.3702 17.2183 17.2183 19.7936 19.7936 21.4168 21.4168 22.0940 22.0940 22.2076 22.2076 27.4453 27.4453 k = 0.2083 0.1203 0.4974 ( 986 PWs) bands (ev): -40.6564 -40.6564 -16.6146 -16.6146 -14.3210 -14.3210 -13.8977 -13.8977 8.7399 8.7399 12.6932 12.6932 14.8708 14.8708 15.2795 15.2795 17.1390 17.1390 19.8742 19.8742 21.5311 21.5311 22.1609 22.1609 22.3265 22.3265 27.5665 27.5665 k = 0.2167 0.1251 0.4974 ( 986 PWs) bands (ev): -40.6546 -40.6546 -16.6177 -16.6177 -14.3245 -14.3245 -13.9061 -13.9061 8.7430 8.7430 12.7786 12.7786 14.7531 14.7531 15.1911 15.1911 17.0622 17.0622 19.9573 19.9573 21.6444 21.6444 22.1949 22.1949 22.4782 22.4782 27.6820 27.6820 k = 0.2250 0.1299 0.4974 ( 986 PWs) bands (ev): -40.6528 -40.6528 -16.6209 -16.6209 -14.3281 -14.3281 -13.9145 -13.9145 8.7463 8.7463 12.8650 12.8650 14.6374 14.6374 15.1052 15.1052 16.9882 16.9882 20.0428 20.0428 21.7567 21.7567 22.2231 22.2231 22.6354 22.6354 27.7908 27.7908 k = 0.2333 0.1347 0.4974 ( 986 PWs) bands (ev): -40.6510 -40.6510 -16.6242 -16.6242 -14.3318 -14.3318 -13.9227 -13.9227 8.7498 8.7498 12.9521 12.9521 14.5240 14.5240 15.0216 15.0216 16.9174 16.9174 20.1306 20.1306 21.8678 21.8678 22.2502 22.2502 22.7934 22.7934 27.8917 27.8917 k = 0.2417 0.1395 0.4974 ( 986 PWs) bands (ev): -40.6492 -40.6492 -16.6276 -16.6276 -14.3357 -14.3357 -13.9309 -13.9309 8.7535 8.7535 13.0395 13.0395 14.4127 14.4127 14.9405 14.9405 16.8501 16.8501 20.2204 20.2204 21.9773 21.9773 22.2776 22.2776 22.9509 22.9509 27.9838 27.9838 k = 0.2500 0.1443 0.4974 ( 986 PWs) bands (ev): -40.6473 -40.6473 -16.6310 -16.6310 -14.3396 -14.3396 -13.9390 -13.9390 8.7575 8.7575 13.1269 13.1269 14.3039 14.3039 14.8618 14.8618 16.7866 16.7866 20.3123 20.3123 22.0841 22.0841 22.3069 22.3069 23.1071 23.1071 28.0661 28.0661 k = 0.2583 0.1491 0.4974 ( 986 PWs) bands (ev): -40.6455 -40.6455 -16.6344 -16.6344 -14.3435 -14.3435 -13.9468 -13.9468 8.7616 8.7616 13.2137 13.2137 14.1975 14.1975 14.7856 14.7856 16.7273 16.7273 20.4059 20.4059 22.1853 22.1853 22.3411 22.3411 23.2618 23.2618 28.1375 28.1375 k = 0.2667 0.1540 0.4974 ( 986 PWs) bands (ev): -40.6437 -40.6437 -16.6379 -16.6379 -14.3476 -14.3476 -13.9545 -13.9545 8.7660 8.7660 13.2995 13.2995 14.0938 14.0938 14.7118 14.7118 16.6725 16.6725 20.5012 20.5012 22.2713 22.2713 22.3899 22.3899 23.4146 23.4146 28.1970 28.1970 k = 0.2750 0.1588 0.4974 ( 986 PWs) bands (ev): -40.6419 -40.6419 -16.6414 -16.6414 -14.3517 -14.3517 -13.9620 -13.9620 8.7705 8.7705 13.3836 13.3836 13.9929 13.9929 14.6405 14.6405 16.6227 16.6227 20.5980 20.5980 22.3292 22.3292 22.4661 22.4661 23.5652 23.5652 28.2439 28.2439 k = 0.2833 0.1636 0.4974 ( 986 PWs) bands (ev): -40.6400 -40.6400 -16.6449 -16.6449 -14.3559 -14.3559 -13.9693 -13.9693 8.7753 8.7753 13.4652 13.4652 13.8952 13.8952 14.5718 14.5718 16.5781 16.5781 20.6960 20.6960 22.3666 22.3666 22.5622 22.5622 23.7133 23.7133 28.2774 28.2774 k = 0.2917 0.1684 0.4974 ( 984 PWs) bands (ev): -40.6382 -40.6382 -16.6484 -16.6484 -14.3600 -14.3600 -13.9763 -13.9763 8.7802 8.7802 13.5427 13.5427 13.8018 13.8018 14.5055 14.5055 16.5392 16.5392 20.7951 20.7951 22.3961 22.3961 22.6654 22.6654 23.8588 23.8588 28.2967 28.2967 k = 0.3000 0.1732 0.4974 ( 984 PWs) bands (ev): -40.6364 -40.6364 -16.6519 -16.6519 -14.3643 -14.3643 -13.9830 -13.9830 8.7853 8.7853 13.6085 13.6085 13.7200 13.7200 14.4418 14.4418 16.5062 16.5062 20.8950 20.8950 22.4224 22.4224 22.7712 22.7712 24.0012 24.0012 28.3006 28.3006 k = 0.3083 0.1780 0.4974 ( 980 PWs) bands (ev): -40.6346 -40.6346 -16.6553 -16.6553 -14.3684 -14.3684 -13.9895 -13.9895 8.7906 8.7906 13.5953 13.5953 13.7165 13.7165 14.3807 14.3807 16.4797 16.4797 20.9955 20.9955 22.4470 22.4470 22.8780 22.8780 24.1404 24.1404 28.2864 28.2864 k = 0.3167 0.1828 0.4974 ( 980 PWs) bands (ev): -40.6329 -40.6329 -16.6588 -16.6588 -14.3727 -14.3727 -13.9957 -13.9957 8.7960 8.7960 13.5174 13.5174 13.7766 13.7766 14.3221 14.3221 16.4597 16.4597 21.0964 21.0964 22.4704 22.4704 22.9852 22.9852 24.2761 24.2761 28.2441 28.2441 k = 0.3250 0.1876 0.4974 ( 976 PWs) bands (ev): -40.6311 -40.6311 -16.6621 -16.6621 -14.3768 -14.3768 -14.0016 -14.0016 8.8015 8.8015 13.4356 13.4356 13.8389 13.8389 14.2661 14.2661 16.4465 16.4465 21.1972 21.1972 22.4928 22.4928 23.0925 23.0925 24.4080 24.4080 28.1615 28.1615 k = 0.3333 0.1925 0.4974 ( 976 PWs) bands (ev): -40.6294 -40.6294 -16.6655 -16.6655 -14.3810 -14.3810 -14.0073 -14.0073 8.8071 8.8071 13.3557 13.3557 13.8975 13.8975 14.2128 14.2128 16.4403 16.4403 21.2978 21.2978 22.5143 22.5143 23.1998 23.1998 24.5358 24.5358 28.0554 28.0554 k = 0.3417 0.1973 0.4974 ( 976 PWs) bands (ev): -40.6279 -40.6279 -16.6687 -16.6687 -14.3851 -14.3851 -14.0126 -14.0126 8.8128 8.8128 13.2784 13.2784 13.9510 13.9510 14.1623 14.1623 16.4411 16.4411 21.3979 21.3979 22.5348 22.5348 23.3070 23.3070 24.6593 24.6593 27.9421 27.9421 k = 0.3500 0.2021 0.4974 ( 976 PWs) bands (ev): -40.6263 -40.6263 -16.6719 -16.6719 -14.3891 -14.3891 -14.0177 -14.0177 8.8185 8.8185 13.2044 13.2044 13.9984 13.9984 14.1150 14.1150 16.4486 16.4486 21.4969 21.4969 22.5545 22.5545 23.4140 23.4140 24.7782 24.7782 27.8266 27.8266 k = 0.3583 0.2069 0.4974 ( 976 PWs) bands (ev): -40.6249 -40.6249 -16.6751 -16.6751 -14.3930 -14.3930 -14.0225 -14.0225 8.8242 8.8242 13.1336 13.1336 14.0348 14.0348 14.0758 14.0758 16.4626 16.4626 21.5947 21.5947 22.5731 22.5731 23.5208 23.5208 24.8923 24.8923 27.7103 27.7103 k = 0.3667 0.2117 0.4974 ( 976 PWs) bands (ev): -40.6235 -40.6235 -16.6781 -16.6781 -14.3969 -14.3969 -14.0269 -14.0269 8.8299 8.8299 13.0662 13.0662 14.0187 14.0187 14.0862 14.0862 16.4827 16.4827 21.6907 21.6907 22.5907 22.5907 23.6274 23.6274 25.0013 25.0013 27.5938 27.5938 k = 0.3750 0.2165 0.4974 ( 976 PWs) bands (ev): -40.6221 -40.6221 -16.6809 -16.6809 -14.4005 -14.4005 -14.0311 -14.0311 8.8355 8.8355 13.0024 13.0024 13.9805 13.9805 14.1160 14.1160 16.5083 16.5083 21.7846 21.7846 22.6073 22.6073 23.7336 23.7336 25.1049 25.1049 27.4777 27.4777 k = 0.3833 0.2213 0.4974 ( 972 PWs) bands (ev): -40.6207 -40.6207 -16.6837 -16.6837 -14.4040 -14.4040 -14.0350 -14.0350 8.8410 8.8410 12.9422 12.9422 13.9431 13.9431 14.1424 14.1424 16.5385 16.5385 21.8759 21.8759 22.6228 22.6228 23.8394 23.8394 25.2029 25.2029 27.3623 27.3623 k = 0.3917 0.2261 0.4974 ( 968 PWs) bands (ev): -40.6194 -40.6194 -16.6862 -16.6862 -14.4074 -14.4074 -14.0385 -14.0385 8.8464 8.8464 12.8858 12.8858 13.9080 13.9080 14.1646 14.1646 16.5725 16.5725 21.9641 21.9641 22.6372 22.6372 23.9445 23.9445 25.2951 25.2951 27.2477 27.2477 k = 0.4000 0.2309 0.4974 ( 968 PWs) bands (ev): -40.6183 -40.6183 -16.6887 -16.6887 -14.4106 -14.4106 -14.0418 -14.0418 8.8516 8.8516 12.8331 12.8331 13.8753 13.8753 14.1827 14.1827 16.6093 16.6093 22.0488 22.0488 22.6504 22.6504 24.0489 24.0489 25.3813 25.3813 27.1343 27.1343 k = 0.4083 0.2358 0.4974 ( 972 PWs) bands (ev): -40.6174 -40.6174 -16.6911 -16.6911 -14.4137 -14.4137 -14.0449 -14.0449 8.8566 8.8566 12.7843 12.7843 13.8452 13.8452 14.1972 14.1972 16.6480 16.6480 22.1293 22.1293 22.6625 22.6625 24.1523 24.1523 25.4613 25.4613 27.0224 27.0224 k = 0.4167 0.2406 0.4974 ( 976 PWs) bands (ev): -40.6165 -40.6165 -16.6933 -16.6933 -14.4165 -14.4165 -14.0476 -14.0476 8.8613 8.8613 12.7395 12.7395 13.8177 13.8177 14.2085 14.2085 16.6875 16.6875 22.2052 22.2052 22.6734 22.6734 24.2543 24.2543 25.5349 25.5349 26.9125 26.9125 k = 0.4250 0.2454 0.4974 ( 974 PWs) bands (ev): -40.6156 -40.6156 -16.6952 -16.6952 -14.4191 -14.4191 -14.0501 -14.0501 8.8657 8.8657 12.6987 12.6987 13.7927 13.7927 14.2171 14.2171 16.7268 16.7268 22.2760 22.2760 22.6831 22.6831 24.3546 24.3546 25.6019 25.6019 26.8050 26.8050 k = 0.4333 0.2502 0.4974 ( 974 PWs) bands (ev): -40.6148 -40.6148 -16.6970 -16.6970 -14.4214 -14.4214 -14.0523 -14.0523 8.8698 8.8698 12.6620 12.6620 13.7704 13.7704 14.2236 14.2236 16.7650 16.7650 22.3411 22.3411 22.6918 22.6918 24.4524 24.4524 25.6621 25.6621 26.7006 26.7006 k = 0.4417 0.2550 0.4974 ( 966 PWs) bands (ev): -40.6138 -40.6138 -16.6985 -16.6985 -14.4234 -14.4234 -14.0541 -14.0541 8.8735 8.8735 12.6294 12.6294 13.7507 13.7507 14.2283 14.2283 16.8010 16.8010 22.4000 22.4000 22.6993 22.6993 24.5472 24.5472 25.7154 25.7154 26.6002 26.6002 k = 0.4500 0.2598 0.4974 ( 960 PWs) bands (ev): -40.6130 -40.6130 -16.6998 -16.6998 -14.4252 -14.4252 -14.0557 -14.0557 8.8768 8.8768 12.6011 12.6011 13.7336 13.7336 14.2316 14.2316 16.8341 16.8341 22.4521 22.4521 22.7058 22.7058 24.6376 24.6376 25.7617 25.7617 26.5050 26.5050 k = 0.4583 0.2646 0.4974 ( 960 PWs) bands (ev): -40.6125 -40.6125 -16.7010 -16.7010 -14.4267 -14.4267 -14.0571 -14.0571 8.8797 8.8797 12.5771 12.5771 13.7191 13.7191 14.2338 14.2338 16.8635 16.8635 22.4971 22.4971 22.7112 22.7112 24.7221 24.7221 25.8007 25.8007 26.4167 26.4167 k = 0.4667 0.2694 0.4974 ( 960 PWs) bands (ev): -40.6120 -40.6120 -16.7020 -16.7020 -14.4280 -14.4280 -14.0583 -14.0583 8.8820 8.8820 12.5573 12.5573 13.7073 13.7073 14.2352 14.2352 16.8885 16.8885 22.5344 22.5344 22.7157 22.7157 24.7985 24.7985 25.8323 25.8323 26.3374 26.3374 k = 0.4750 0.2742 0.4974 ( 960 PWs) bands (ev): -40.6117 -40.6117 -16.7028 -16.7028 -14.4291 -14.4291 -14.0591 -14.0591 8.8839 8.8839 12.5419 12.5419 13.6981 13.6981 14.2361 14.2361 16.9086 16.9086 22.5638 22.5638 22.7192 22.7192 24.8640 24.8640 25.8565 25.8565 26.2701 26.2701 k = 0.4833 0.2791 0.4974 ( 960 PWs) bands (ev): -40.6115 -40.6115 -16.7033 -16.7033 -14.4298 -14.4298 -14.0598 -14.0598 8.8852 8.8852 12.5309 12.5309 13.6915 13.6915 14.2366 14.2366 16.9232 16.9232 22.5849 22.5849 22.7218 22.7218 24.9151 24.9151 25.8733 25.8733 26.2184 26.2184 k = 0.4917 0.2839 0.4974 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7037 -16.7037 -14.4302 -14.4302 -14.0601 -14.0601 8.8861 8.8861 12.5243 12.5243 13.6875 13.6875 14.2369 14.2369 16.9321 16.9321 22.5976 22.5976 22.7234 22.7234 24.9478 24.9478 25.8830 25.8830 26.1856 26.1856 k = 0.5000 0.2887 0.4974 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7038 -16.7038 -14.4304 -14.4304 -14.0603 -14.0603 8.8863 8.8863 12.5221 12.5221 13.6862 13.6862 14.2369 14.2369 16.9351 16.9351 22.6018 22.6018 22.7239 22.7239 24.9592 24.9592 25.8861 25.8861 26.1743 26.1743 k = 0.5000 0.2887 0.4974 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7038 -16.7038 -14.4304 -14.4304 -14.0603 -14.0603 8.8863 8.8863 12.5221 12.5221 13.6862 13.6862 14.2369 14.2369 16.9351 16.9351 22.6018 22.6018 22.7239 22.7239 24.9592 24.9592 25.8861 25.8861 26.1743 26.1743 k = 0.4952 0.2969 0.4974 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7038 -16.7038 -14.4303 -14.4303 -14.0605 -14.0605 8.8873 8.8873 12.5156 12.5156 13.6908 13.6908 14.2390 14.2390 16.9332 16.9332 22.6050 22.6050 22.7237 22.7237 24.9548 24.9548 25.8956 25.8956 26.1741 26.1741 k = 0.4905 0.3052 0.4974 ( 960 PWs) bands (ev): -40.6112 -40.6112 -16.7038 -16.7038 -14.4300 -14.4300 -14.0612 -14.0612 8.8901 8.8901 12.4965 12.4965 13.7044 13.7044 14.2453 14.2453 16.9275 16.9275 22.6147 22.6147 22.7232 22.7232 24.9423 24.9423 25.9234 25.9234 26.1736 26.1736 k = 0.4857 0.3134 0.4974 ( 960 PWs) bands (ev): -40.6111 -40.6111 -16.7039 -16.7039 -14.4294 -14.4294 -14.0624 -14.0624 8.8949 8.8949 12.4658 12.4658 13.7259 13.7259 14.2558 14.2558 16.9180 16.9180 22.6306 22.6306 22.7224 22.7224 24.9233 24.9233 25.9676 25.9676 26.1732 26.1732 k = 0.4810 0.3217 0.4974 ( 960 PWs) bands (ev): -40.6110 -40.6110 -16.7040 -16.7040 -14.4287 -14.4287 -14.0641 -14.0641 8.9016 8.9016 12.4248 12.4248 13.7541 13.7541 14.2703 14.2703 16.9049 16.9049 22.6523 22.6523 22.7217 22.7217 24.8997 24.8997 26.0248 26.0248 26.1742 26.1742 k = 0.4762 0.3299 0.4974 ( 956 PWs) bands (ev): -40.6108 -40.6108 -16.7040 -16.7040 -14.4278 -14.4278 -14.0661 -14.0661 8.9102 8.9102 12.3749 12.3749 13.7876 13.7876 14.2890 14.2890 16.8882 16.8882 22.6781 22.6781 22.7226 22.7226 24.8736 24.8736 26.0869 26.0869 26.1825 26.1825 k = 0.4714 0.3382 0.4974 ( 956 PWs) bands (ev): -40.6106 -40.6106 -16.7041 -16.7041 -14.4266 -14.4266 -14.0687 -14.0687 8.9207 8.9207 12.3176 12.3176 13.8248 13.8248 14.3117 14.3117 16.8681 16.8681 22.6991 22.6991 22.7339 22.7339 24.8466 24.8466 26.1274 26.1274 26.2229 26.2229 k = 0.4667 0.3464 0.4974 ( 960 PWs) bands (ev): -40.6105 -40.6105 -16.7043 -16.7043 -14.4253 -14.4253 -14.0718 -14.0718 8.9331 8.9331 12.2542 12.2542 13.8647 13.8647 14.3383 14.3383 16.8448 16.8448 22.7036 22.7036 22.7672 22.7672 24.8202 24.8202 26.1356 26.1356 26.3048 26.3048 k = 0.4619 0.3547 0.4974 ( 964 PWs) bands (ev): -40.6104 -40.6104 -16.7045 -16.7045 -14.4238 -14.4238 -14.0753 -14.0753 8.9474 8.9474 12.1859 12.1859 13.9060 13.9060 14.3687 14.3687 16.8185 16.8185 22.7017 22.7017 22.8122 22.8122 24.7952 24.7952 26.1335 26.1335 26.4049 26.4049 k = 0.4571 0.3629 0.4974 ( 964 PWs) bands (ev): -40.6102 -40.6102 -16.7047 -16.7047 -14.4221 -14.4221 -14.0792 -14.0792 8.9636 8.9636 12.1135 12.1135 13.9480 13.9480 14.4028 14.4028 16.7894 16.7894 22.6980 22.6980 22.8640 22.8640 24.7726 24.7726 26.1278 26.1278 26.5155 26.5155 k = 0.4524 0.3712 0.4974 ( 964 PWs) bands (ev): -40.6099 -40.6099 -16.7049 -16.7049 -14.4201 -14.4201 -14.0834 -14.0834 8.9817 8.9817 12.0378 12.0378 13.9900 13.9900 14.4406 14.4406 16.7577 16.7577 22.6933 22.6933 22.9216 22.9216 24.7529 24.7529 26.1202 26.1202 26.6343 26.6343 k = 0.4476 0.3794 0.4974 ( 964 PWs) bands (ev): -40.6096 -40.6096 -16.7052 -16.7052 -14.4181 -14.4181 -14.0879 -14.0879 9.0018 9.0018 11.9595 11.9595 14.0314 14.0314 14.4817 14.4817 16.7236 16.7236 22.6878 22.6878 22.9845 22.9845 24.7363 24.7363 26.1111 26.1111 26.7601 26.7601 k = 0.4429 0.3876 0.4974 ( 964 PWs) bands (ev): -40.6093 -40.6093 -16.7054 -16.7054 -14.4158 -14.4158 -14.0928 -14.0928 9.0237 9.0237 11.8791 11.8791 14.0717 14.0717 14.5261 14.5261 16.6875 16.6875 22.6816 22.6816 23.0523 23.0523 24.7233 24.7233 26.1006 26.1006 26.8885 26.8885 k = 0.4381 0.3959 0.4974 ( 964 PWs) bands (ev): -40.6090 -40.6090 -16.7057 -16.7057 -14.4134 -14.4134 -14.0980 -14.0980 9.0475 9.0475 11.7972 11.7972 14.1108 14.1108 14.5736 14.5736 16.6496 16.6496 22.6748 22.6748 23.1249 23.1249 24.7139 24.7139 26.0887 26.0887 26.9215 26.9215 k = 0.4333 0.4041 0.4974 ( 968 PWs) bands (ev): -40.6088 -40.6088 -16.7060 -16.7060 -14.4109 -14.4109 -14.1035 -14.1035 9.0733 9.0733 11.7139 11.7139 14.1482 14.1482 14.6238 14.6238 16.6100 16.6100 22.6675 22.6675 23.2019 23.2019 24.7083 24.7083 26.0755 26.0755 26.9003 26.9003 k = 0.4286 0.4124 0.4974 ( 972 PWs) bands (ev): -40.6085 -40.6085 -16.7064 -16.7064 -14.4083 -14.4083 -14.1093 -14.1093 9.1009 9.1009 11.6298 11.6298 14.1837 14.1837 14.6768 14.6768 16.5692 16.5692 22.6595 22.6595 23.2831 23.2831 24.7066 24.7066 26.0609 26.0609 26.8759 26.8759 k = 0.4238 0.4206 0.4974 ( 976 PWs) bands (ev): -40.6083 -40.6083 -16.7068 -16.7068 -14.4055 -14.4055 -14.1152 -14.1152 9.1305 9.1305 11.5451 11.5451 14.2174 14.2174 14.7320 14.7320 16.5272 16.5272 22.6510 22.6510 23.3682 23.3682 24.7087 24.7087 26.0448 26.0448 26.8492 26.8492 k = 0.4190 0.4289 0.4974 ( 976 PWs) bands (ev): -40.6079 -40.6079 -16.7071 -16.7071 -14.4025 -14.4025 -14.1213 -14.1213 9.1619 9.1619 11.4600 11.4600 14.2489 14.2489 14.7894 14.7894 16.4843 16.4843 22.6419 22.6419 23.4571 23.4571 24.7147 24.7147 26.0272 26.0272 26.8205 26.8205 k = 0.4143 0.4371 0.4974 ( 976 PWs) bands (ev): -40.6075 -40.6075 -16.7075 -16.7075 -14.3995 -14.3995 -14.1275 -14.1275 9.1952 9.1952 11.3748 11.3748 14.2784 14.2784 14.8486 14.8486 16.4408 16.4408 22.6324 22.6324 23.5493 23.5493 24.7246 24.7246 26.0080 26.0080 26.7896 26.7896 k = 0.4095 0.4454 0.4974 ( 976 PWs) bands (ev): -40.6071 -40.6071 -16.7078 -16.7078 -14.3964 -14.3964 -14.1337 -14.1337 9.2305 9.2305 11.2896 11.2896 14.3056 14.3056 14.9094 14.9094 16.3968 16.3968 22.6225 22.6225 23.6449 23.6449 24.7382 24.7382 25.9872 25.9872 26.7562 26.7562 k = 0.4048 0.4536 0.4974 ( 980 PWs) bands (ev): -40.6069 -40.6069 -16.7083 -16.7083 -14.3932 -14.3932 -14.1401 -14.1401 9.2676 9.2676 11.2048 11.2048 14.3307 14.3307 14.9713 14.9713 16.3526 16.3526 22.6122 22.6122 23.7434 23.7434 24.7555 24.7555 25.9646 25.9646 26.7201 26.7201 k = 0.4000 0.4619 0.4974 ( 980 PWs) bands (ev): -40.6065 -40.6065 -16.7087 -16.7087 -14.3900 -14.3900 -14.1464 -14.1464 9.3066 9.3066 11.1203 11.1203 14.3535 14.3535 15.0341 15.0341 16.3084 16.3084 22.6016 22.6016 23.8448 23.8448 24.7764 24.7764 25.9402 25.9402 26.6808 26.6808 k = 0.3952 0.4701 0.4974 ( 976 PWs) bands (ev): -40.6060 -40.6060 -16.7090 -16.7090 -14.3868 -14.3868 -14.1526 -14.1526 9.3475 9.3475 11.0365 11.0365 14.3742 14.3742 15.0975 15.0975 16.2644 16.2644 22.5908 22.5908 23.9488 23.9488 24.8009 24.8009 25.9140 25.9140 26.6378 26.6378 k = 0.3905 0.4784 0.4974 ( 976 PWs) bands (ev): -40.6056 -40.6056 -16.7094 -16.7094 -14.3836 -14.3836 -14.1587 -14.1587 9.3903 9.3903 10.9534 10.9534 14.3928 14.3928 15.1609 15.1609 16.2208 16.2208 22.5799 22.5799 24.0553 24.0553 24.8287 24.8287 25.8857 25.8857 26.5903 26.5903 k = 0.3857 0.4866 0.4974 ( 976 PWs) bands (ev): -40.6052 -40.6052 -16.7098 -16.7098 -14.3804 -14.3804 -14.1647 -14.1647 9.4350 9.4350 10.8711 10.8711 14.4093 14.4093 15.2240 15.2240 16.1777 16.1777 22.5690 22.5690 24.1640 24.1640 24.8598 24.8598 25.8555 25.8555 26.5375 26.5375 k = 0.3810 0.4949 0.4974 ( 976 PWs) bands (ev): -40.6049 -40.6049 -16.7102 -16.7102 -14.3773 -14.3773 -14.1704 -14.1704 9.4815 9.4815 10.7898 10.7898 14.4238 14.4238 15.2864 15.2864 16.1353 16.1353 22.5583 22.5583 24.2747 24.2747 24.8940 24.8940 25.8232 25.8232 26.4784 26.4784 k = 0.3762 0.5031 0.4974 ( 976 PWs) bands (ev): -40.6046 -40.6046 -16.7105 -16.7105 -14.3743 -14.3743 -14.1760 -14.1760 9.5299 9.5299 10.7096 10.7096 14.4364 14.4364 15.3476 15.3476 16.0937 16.0937 22.5478 22.5478 24.3872 24.3872 24.9312 24.9312 25.7888 25.7888 26.4121 26.4121 k = 0.3714 0.5114 0.4974 ( 972 PWs) bands (ev): -40.6041 -40.6041 -16.7109 -16.7109 -14.3715 -14.3715 -14.1810 -14.1810 9.5802 9.5802 10.6306 10.6306 14.4471 14.4471 15.4072 15.4072 16.0532 16.0532 22.5378 22.5378 24.5014 24.5014 24.9714 24.9714 25.7522 25.7522 26.3378 26.3378 k = 0.3667 0.5196 0.4974 ( 968 PWs) bands (ev): -40.6037 -40.6037 -16.7111 -16.7111 -14.3688 -14.3688 -14.1857 -14.1857 9.6324 9.6324 10.5528 10.5528 14.4562 14.4562 15.4646 15.4646 16.0140 16.0140 22.5284 22.5284 24.6169 24.6169 25.0143 25.0143 25.7134 25.7134 26.2552 26.2552 k = 0.3619 0.5279 0.4974 ( 968 PWs) bands (ev): -40.6035 -40.6035 -16.7115 -16.7115 -14.3664 -14.3664 -14.1900 -14.1900 9.6865 9.6865 10.4764 10.4764 14.4636 14.4636 15.5193 15.5193 15.9760 15.9760 22.5198 22.5198 24.7334 24.7334 25.0598 25.0598 25.6724 25.6724 26.1644 26.1644 k = 0.3571 0.5361 0.4974 ( 968 PWs) bands (ev): -40.6033 -40.6033 -16.7117 -16.7117 -14.3643 -14.3643 -14.1937 -14.1937 9.7424 9.7424 10.4014 10.4014 14.4696 14.4696 15.5709 15.5709 15.9397 15.9397 22.5121 22.5121 24.8505 24.8505 25.1080 25.1080 25.6293 25.6293 26.0661 26.0661 k = 0.3524 0.5444 0.4974 ( 972 PWs) bands (ev): -40.6032 -40.6032 -16.7120 -16.7120 -14.3626 -14.3626 -14.1969 -14.1969 9.8001 9.8001 10.3279 10.3279 14.4742 14.4742 15.6185 15.6185 15.9053 15.9053 22.5056 22.5056 24.9672 24.9672 25.1590 25.1590 25.5844 25.5844 25.9613 25.9613 k = 0.3476 0.5526 0.4974 ( 972 PWs) bands (ev): -40.6030 -40.6030 -16.7122 -16.7122 -14.3612 -14.3612 -14.1994 -14.1994 9.8597 9.8597 10.2559 10.2559 14.4775 14.4775 15.6615 15.6615 15.8731 15.8731 22.5003 22.5003 25.0814 25.0814 25.2134 25.2134 25.5384 25.5384 25.8516 25.8516 k = 0.3429 0.5609 0.4974 ( 972 PWs) bands (ev): -40.6029 -40.6029 -16.7124 -16.7124 -14.3602 -14.3602 -14.2012 -14.2012 9.9212 9.9212 10.1856 10.1856 14.4798 14.4798 15.6984 15.6984 15.8444 15.8444 22.4964 22.4964 25.1869 25.1869 25.2733 25.2733 25.4942 25.4942 25.7388 25.7388 k = 0.3381 0.5691 0.4974 ( 964 PWs) bands (ev): -40.6026 -40.6026 -16.7124 -16.7124 -14.3595 -14.3595 -14.2022 -14.2022 9.9844 9.9844 10.1171 10.1171 14.4810 14.4810 15.7262 15.7262 15.8217 15.8217 22.4940 22.4940 25.2711 25.2711 25.3316 25.3316 25.4694 25.4694 25.6260 25.6260 k = 0.3333 0.5774 0.4974 ( 960 PWs) bands (ev): -40.6025 -40.6025 -16.7124 -16.7124 -14.3593 -14.3593 -14.2026 -14.2026 10.0434 10.0434 10.0563 10.0563 14.4814 14.4814 15.7373 15.7373 15.8123 15.8123 22.4932 22.4932 25.3257 25.3257 25.3297 25.3297 25.5218 25.5218 25.5225 25.5225 k = 0.3333 0.5774 0.4974 ( 960 PWs) bands (ev): -40.6025 -40.6025 -16.7124 -16.7124 -14.3593 -14.3593 -14.2026 -14.2026 10.0434 10.0434 10.0563 10.0563 14.4814 14.4814 15.7373 15.7373 15.8123 15.8123 22.4932 22.4932 25.3257 25.3257 25.3297 25.3297 25.5218 25.5218 25.5225 25.5225 k = 0.3285 0.5690 0.4974 ( 966 PWs) bands (ev): -40.6027 -40.6027 -16.7124 -16.7124 -14.3595 -14.3595 -14.2023 -14.2023 9.9834 9.9834 10.1181 10.1181 14.4811 14.4811 15.7282 15.7282 15.8196 15.8196 22.4940 22.4940 25.2682 25.2682 25.3315 25.3315 25.4694 25.4694 25.6291 25.6291 k = 0.3237 0.5606 0.4974 ( 970 PWs) bands (ev): -40.6029 -40.6029 -16.7123 -16.7123 -14.3601 -14.3601 -14.2012 -14.2012 9.9192 9.9192 10.1879 10.1879 14.4801 14.4801 15.7099 15.7099 15.8319 15.8319 22.4965 22.4965 25.1775 25.1775 25.2677 25.2677 25.5000 25.5000 25.7485 25.7485 k = 0.3188 0.5522 0.4974 ( 970 PWs) bands (ev): -40.6030 -40.6030 -16.7121 -16.7121 -14.3610 -14.3610 -14.1994 -14.1994 9.8569 9.8569 10.2596 10.2596 14.4787 14.4787 15.6902 15.6902 15.8416 15.8416 22.5006 22.5006 25.0639 25.0639 25.1978 25.1978 25.5528 25.5528 25.8718 25.8718 k = 0.3140 0.5439 0.4974 ( 974 PWs) bands (ev): -40.6033 -40.6033 -16.7119 -16.7119 -14.3622 -14.3622 -14.1970 -14.1970 9.7963 9.7963 10.3332 10.3332 14.4769 14.4769 15.6713 15.6713 15.8463 15.8463 22.5061 22.5061 24.9398 24.9398 25.1293 25.1293 25.6098 25.6098 25.9967 25.9967 k = 0.3092 0.5355 0.4974 ( 978 PWs) bands (ev): -40.6037 -40.6037 -16.7116 -16.7116 -14.3636 -14.3636 -14.1940 -14.1940 9.7377 9.7377 10.4087 10.4087 14.4749 14.4749 15.6540 15.6540 15.8449 15.8449 22.5130 22.5130 24.8112 24.8112 25.0602 25.0602 25.6677 25.6677 26.1222 26.1222 k = 0.3043 0.5271 0.4974 ( 974 PWs) bands (ev): -40.6039 -40.6039 -16.7110 -16.7110 -14.3651 -14.3651 -14.1904 -14.1904 9.6810 9.6810 10.4860 10.4860 14.4729 14.4729 15.6386 15.6386 15.8371 15.8371 22.5209 22.5209 24.6803 24.6803 24.9897 24.9897 25.7254 25.7254 26.2479 26.2479 k = 0.2995 0.5188 0.4974 ( 974 PWs) bands (ev): -40.6042 -40.6042 -16.7104 -16.7104 -14.3667 -14.3667 -14.1863 -14.1863 9.6263 9.6263 10.5653 10.5653 14.4709 14.4709 15.6255 15.6255 15.8229 15.8229 22.5296 22.5296 24.5478 24.5478 24.9176 24.9176 25.7820 25.7820 26.3734 26.3734 k = 0.2947 0.5104 0.4974 ( 974 PWs) bands (ev): -40.6047 -40.6047 -16.7097 -16.7097 -14.3684 -14.3684 -14.1817 -14.1817 9.5736 9.5736 10.6463 10.6463 14.4691 14.4691 15.6145 15.6145 15.8021 15.8021 22.5389 22.5389 24.4143 24.4143 24.8437 24.8437 25.8368 25.8368 26.4983 26.4983 k = 0.2899 0.5020 0.4974 ( 974 PWs) bands (ev): -40.6052 -40.6052 -16.7089 -16.7089 -14.3700 -14.3700 -14.1768 -14.1768 9.5227 9.5227 10.7292 10.7292 14.4676 14.4676 15.6058 15.6058 15.7750 15.7750 22.5483 22.5483 24.2801 24.2801 24.7681 24.7681 25.8890 25.8890 26.6224 26.6224 k = 0.2850 0.4937 0.4974 ( 974 PWs) bands (ev): -40.6057 -40.6057 -16.7079 -16.7079 -14.3716 -14.3716 -14.1716 -14.1716 9.4739 9.4739 10.8139 10.8139 14.4665 14.4665 15.5990 15.5990 15.7421 15.7421 22.5576 22.5576 24.1453 24.1453 24.6909 24.6909 25.9377 25.9377 26.7454 26.7454 k = 0.2802 0.4853 0.4974 ( 970 PWs) bands (ev): -40.6062 -40.6062 -16.7068 -16.7068 -14.3730 -14.3730 -14.1659 -14.1659 9.4270 9.4270 10.9005 10.9005 14.4661 14.4661 15.5936 15.5936 15.7041 15.7041 22.5663 22.5663 24.0101 24.0101 24.6121 24.6121 25.9821 25.9821 26.8671 26.8671 k = 0.2754 0.4769 0.4974 ( 966 PWs) bands (ev): -40.6068 -40.6068 -16.7055 -16.7055 -14.3743 -14.3743 -14.1601 -14.1601 9.3820 9.3820 10.9889 10.9889 14.4662 14.4662 15.5868 15.5868 15.6641 15.6641 22.5742 22.5742 23.8747 23.8747 24.5318 24.5318 26.0208 26.0208 26.9871 26.9871 k = 0.2705 0.4686 0.4974 ( 974 PWs) bands (ev): -40.6078 -40.6078 -16.7042 -16.7042 -14.3756 -14.3756 -14.1540 -14.1540 9.3389 9.3389 11.0790 11.0790 14.4672 14.4672 15.5682 15.5682 15.6329 15.6329 22.5807 22.5807 23.7392 23.7392 24.4501 24.4501 26.0526 26.0526 27.1052 27.1052 k = 0.2657 0.4602 0.4974 ( 974 PWs) bands (ev): -40.6086 -40.6086 -16.7027 -16.7027 -14.3766 -14.3766 -14.1477 -14.1477 9.2978 9.2978 11.1710 11.1710 14.4691 14.4691 15.5251 15.5251 15.6234 15.6234 22.5857 22.5857 23.6039 23.6039 24.3671 24.3671 26.0760 26.0760 27.2211 27.2211 k = 0.2609 0.4518 0.4974 ( 974 PWs) bands (ev): -40.6095 -40.6095 -16.7011 -16.7011 -14.3774 -14.3774 -14.1412 -14.1412 9.2585 9.2585 11.2647 11.2647 14.4720 14.4720 15.4670 15.4670 15.6266 15.6266 22.5885 22.5885 23.4690 23.4690 24.2828 24.2828 26.0895 26.0895 27.3344 27.3344 k = 0.2560 0.4435 0.4974 ( 978 PWs) bands (ev): -40.6106 -40.6106 -16.6994 -16.6994 -14.3780 -14.3780 -14.1345 -14.1345 9.2211 9.2211 11.3602 11.3602 14.4760 14.4760 15.4012 15.4012 15.6355 15.6355 22.5887 22.5887 23.3351 23.3351 24.1973 24.1973 26.0915 26.0915 27.4448 27.4448 k = 0.2512 0.4351 0.4974 ( 978 PWs) bands (ev): -40.6116 -40.6116 -16.6975 -16.6975 -14.3784 -14.3784 -14.1276 -14.1276 9.1855 9.1855 11.4574 11.4574 14.4812 14.4812 15.3299 15.3299 15.6484 15.6484 22.5855 22.5855 23.2029 23.2029 24.1108 24.1108 26.0803 26.0803 27.5518 27.5518 k = 0.2464 0.4267 0.4974 ( 974 PWs) bands (ev): -40.6126 -40.6126 -16.6954 -16.6954 -14.3785 -14.3785 -14.1205 -14.1205 9.1517 9.1517 11.5564 11.5564 14.4876 14.4876 15.2540 15.2540 15.6646 15.6646 22.5775 22.5775 23.0737 23.0737 24.0232 24.0232 26.0549 26.0549 27.6551 27.6551 k = 0.2415 0.4184 0.4974 ( 978 PWs) bands (ev): -40.6139 -40.6139 -16.6932 -16.6932 -14.3784 -14.3784 -14.1133 -14.1133 9.1196 9.1196 11.6571 11.6571 14.4954 14.4954 15.1742 15.1742 15.6839 15.6839 22.5621 22.5621 22.9502 22.9502 23.9347 23.9347 26.0142 26.0142 27.7541 27.7541 k = 0.2367 0.4100 0.4974 ( 978 PWs) bands (ev): -40.6151 -40.6151 -16.6909 -16.6909 -14.3781 -14.3781 -14.1060 -14.1060 9.0893 9.0893 11.7596 11.7596 14.5044 14.5044 15.0910 15.0910 15.7064 15.7064 22.5336 22.5336 22.8382 22.8382 23.8453 23.8453 25.9581 25.9581 27.8485 27.8485 k = 0.2319 0.4016 0.4974 ( 978 PWs) bands (ev): -40.6163 -40.6163 -16.6885 -16.6885 -14.3775 -14.3775 -14.0985 -14.0985 9.0606 9.0606 11.8637 11.8637 14.5147 14.5147 15.0050 15.0050 15.7318 15.7318 22.4819 22.4819 22.7480 22.7480 23.7551 23.7551 25.8867 25.8867 27.9376 27.9376 k = 0.2271 0.3933 0.4974 ( 978 PWs) bands (ev): -40.6177 -40.6177 -16.6859 -16.6859 -14.3767 -14.3767 -14.0909 -14.0909 9.0336 9.0336 11.9695 11.9695 14.5258 14.5258 14.9170 14.9170 15.7603 15.7603 22.3995 22.3995 22.6872 22.6872 23.6641 23.6641 25.8008 25.8008 28.0211 28.0211 k = 0.2222 0.3849 0.4974 ( 978 PWs) bands (ev): -40.6191 -40.6191 -16.6833 -16.6833 -14.3756 -14.3756 -14.0832 -14.0832 9.0082 9.0082 12.0769 12.0769 14.5368 14.5368 14.8284 14.8284 15.7918 15.7918 22.2933 22.2933 22.6491 22.6491 23.5724 23.5724 25.7016 25.7016 28.0983 28.0983 k = 0.2174 0.3765 0.4974 ( 980 PWs) bands (ev): -40.6206 -40.6206 -16.6805 -16.6805 -14.3743 -14.3743 -14.0754 -14.0754 8.9843 8.9843 12.1860 12.1860 14.5445 14.5445 14.7429 14.7429 15.8263 15.8263 22.1748 22.1748 22.6223 22.6223 23.4801 23.4801 25.5906 25.5906 28.1688 28.1688 k = 0.2126 0.3682 0.4974 ( 980 PWs) bands (ev): -40.6221 -40.6221 -16.6776 -16.6776 -14.3728 -14.3728 -14.0674 -14.0674 8.9619 8.9619 12.2968 12.2968 14.5358 14.5358 14.6738 14.6738 15.8638 15.8638 22.0510 22.0510 22.6002 22.6002 23.3871 23.3871 25.4693 25.4693 28.2321 28.2321 k = 0.2077 0.3598 0.4974 ( 980 PWs) bands (ev): -40.6236 -40.6236 -16.6746 -16.6746 -14.3711 -14.3711 -14.0593 -14.0593 8.9409 8.9409 12.4091 12.4091 14.4843 14.4843 14.6480 14.6480 15.9042 15.9042 21.9251 21.9251 22.5797 22.5797 23.2935 23.2935 25.3390 25.3390 28.2876 28.2876 k = 0.2029 0.3514 0.4974 ( 984 PWs) bands (ev): -40.6254 -40.6254 -16.6716 -16.6716 -14.3693 -14.3693 -14.0512 -14.0512 8.9213 8.9213 12.5230 12.5230 14.4000 14.4000 14.6559 14.6559 15.9476 15.9476 21.7986 21.7986 22.5595 22.5595 23.1994 23.1994 25.2013 25.2013 28.3348 28.3348 k = 0.1981 0.3431 0.4974 ( 984 PWs) bands (ev): -40.6270 -40.6270 -16.6684 -16.6684 -14.3672 -14.3672 -14.0429 -14.0429 8.9030 8.9030 12.6384 12.6384 14.3049 14.3049 14.6758 14.6758 15.9938 15.9938 21.6724 21.6724 22.5390 22.5390 23.1049 23.1049 25.0572 25.0572 28.3731 28.3731 k = 0.1932 0.3347 0.4974 ( 988 PWs) bands (ev): -40.6288 -40.6288 -16.6652 -16.6652 -14.3650 -14.3650 -14.0346 -14.0346 8.8860 8.8860 12.7554 12.7554 14.2057 14.2057 14.7013 14.7013 16.0430 16.0430 21.5471 21.5471 22.5176 22.5176 23.0099 23.0099 24.9078 24.9078 28.4017 28.4017 k = 0.1884 0.3263 0.4974 ( 984 PWs) bands (ev): -40.6304 -40.6304 -16.6619 -16.6619 -14.3625 -14.3625 -14.0261 -14.0261 8.8702 8.8702 12.8739 12.8739 14.1045 14.1045 14.7307 14.7307 16.0950 16.0950 21.4230 21.4230 22.4952 22.4952 22.9148 22.9148 24.7540 24.7540 28.4202 28.4202 k = 0.1836 0.3180 0.4974 ( 980 PWs) bands (ev): -40.6320 -40.6320 -16.6585 -16.6585 -14.3599 -14.3599 -14.0175 -14.0175 8.8556 8.8556 12.9939 12.9939 14.0022 14.0022 14.7633 14.7633 16.1498 16.1498 21.3005 21.3005 22.4716 22.4716 22.8197 22.8197 24.5966 24.5966 28.4281 28.4281 k = 0.1787 0.3096 0.4974 ( 980 PWs) bands (ev): -40.6338 -40.6338 -16.6551 -16.6551 -14.3571 -14.3571 -14.0088 -14.0088 8.8420 8.8420 13.1153 13.1153 13.8994 13.8994 14.7989 14.7989 16.2074 16.2074 21.1797 21.1797 22.4461 22.4461 22.7251 22.7251 24.4361 24.4361 28.4250 28.4250 k = 0.1739 0.3012 0.4974 ( 980 PWs) bands (ev): -40.6356 -40.6356 -16.6517 -16.6517 -14.3543 -14.3543 -14.0001 -14.0001 8.8295 8.8295 13.2381 13.2381 13.7965 13.7965 14.8375 14.8375 16.2677 16.2677 21.0608 21.0608 22.4177 22.4177 22.6323 22.6323 24.2731 24.2731 28.4107 28.4107 k = 0.1691 0.2929 0.4974 ( 984 PWs) bands (ev): -40.6376 -40.6376 -16.6483 -16.6483 -14.3514 -14.3514 -13.9913 -13.9913 8.8180 8.8180 13.3622 13.3622 13.6937 13.6937 14.8790 14.8790 16.3307 16.3307 20.9440 20.9440 22.3834 22.3834 22.5440 22.5440 24.1081 24.1081 28.3852 28.3852 k = 0.1643 0.2845 0.4974 ( 984 PWs) bands (ev): -40.6394 -40.6394 -16.6448 -16.6448 -14.3484 -14.3484 -13.9825 -13.9825 8.8075 8.8075 13.4870 13.4870 13.5919 13.5919 14.9235 14.9235 16.3963 16.3963 20.8295 20.8295 22.3365 22.3365 22.4674 22.4674 23.9413 23.9413 28.3484 28.3484 k = 0.1594 0.2761 0.4974 ( 984 PWs) bands (ev): -40.6413 -40.6413 -16.6413 -16.6413 -14.3453 -14.3453 -13.9735 -13.9735 8.7978 8.7978 13.4879 13.4879 13.6160 13.6160 14.9709 14.9709 16.4645 16.4645 20.7173 20.7173 22.2684 22.2684 22.4108 22.4108 23.7732 23.7732 28.3007 28.3007 k = 0.1546 0.2678 0.4974 ( 984 PWs) bands (ev): -40.6432 -40.6432 -16.6379 -16.6379 -14.3421 -14.3421 -13.9645 -13.9645 8.7889 8.7889 13.3873 13.3873 13.7436 13.7436 15.0213 15.0213 16.5351 16.5351 20.6076 20.6076 22.1827 22.1827 22.3708 22.3708 23.6041 23.6041 28.2422 28.2422 k = 0.1498 0.2594 0.4974 ( 984 PWs) bands (ev): -40.6450 -40.6450 -16.6345 -16.6345 -14.3389 -14.3389 -13.9555 -13.9555 8.7808 8.7808 13.2873 13.2873 13.8729 13.8729 15.0746 15.0746 16.6081 16.6081 20.5005 20.5005 22.0881 22.0881 22.3387 22.3387 23.4341 23.4341 28.1734 28.1734 k = 0.1449 0.2510 0.4974 ( 984 PWs) bands (ev): -40.6469 -40.6469 -16.6310 -16.6310 -14.3357 -14.3357 -13.9464 -13.9464 8.7734 8.7734 13.1884 13.1884 14.0035 14.0035 15.1310 15.1310 16.6834 16.6834 20.3961 20.3961 21.9892 21.9892 22.3098 22.3098 23.2635 23.2635 28.0949 28.0949 k = 0.1401 0.2427 0.4974 ( 986 PWs) bands (ev): -40.6488 -40.6488 -16.6277 -16.6277 -14.3325 -14.3325 -13.9373 -13.9373 8.7667 8.7667 13.0909 13.0909 14.1353 14.1353 15.1905 15.1905 16.7608 16.7608 20.2945 20.2945 21.8879 21.8879 22.2825 22.2825 23.0925 23.0925 28.0072 28.0072 k = 0.1353 0.2343 0.4974 ( 986 PWs) bands (ev): -40.6507 -40.6507 -16.6244 -16.6244 -14.3293 -14.3293 -13.9282 -13.9282 8.7606 8.7606 12.9949 12.9949 14.2683 14.2683 15.2530 15.2530 16.8403 16.8403 20.1958 20.1958 21.7847 21.7847 22.2559 22.2559 22.9214 22.9214 27.9110 27.9110 k = 0.1304 0.2259 0.4974 ( 990 PWs) bands (ev): -40.6527 -40.6527 -16.6211 -16.6211 -14.3261 -14.3261 -13.9192 -13.9192 8.7551 8.7551 12.9006 12.9006 14.4022 14.4022 15.3185 15.3185 16.9217 16.9217 20.1000 20.1000 21.6801 21.6801 22.2296 22.2296 22.7506 22.7506 27.8071 27.8071 k = 0.1256 0.2176 0.4974 ( 990 PWs) bands (ev): -40.6545 -40.6545 -16.6179 -16.6179 -14.3229 -14.3229 -13.9101 -13.9101 8.7501 8.7501 12.8083 12.8083 14.5372 14.5372 15.3872 15.3872 17.0049 17.0049 20.0073 20.0073 21.5742 21.5742 22.2029 22.2029 22.5806 22.5806 27.6963 27.6963 k = 0.1208 0.2092 0.4974 ( 990 PWs) bands (ev): -40.6563 -40.6563 -16.6148 -16.6148 -14.3198 -14.3198 -13.9011 -13.9011 8.7456 8.7456 12.7180 12.7180 14.6732 14.6732 15.4590 15.4590 17.0898 17.0898 19.9177 19.9177 21.4670 21.4670 22.1740 22.1740 22.4135 22.4135 27.5794 27.5794 k = 0.1159 0.2008 0.4974 ( 990 PWs) bands (ev): -40.6581 -40.6581 -16.6117 -16.6117 -14.3167 -14.3167 -13.8921 -13.8921 8.7415 8.7415 12.6299 12.6299 14.8100 14.8100 15.5338 15.5338 17.1760 17.1760 19.8313 19.8313 21.3586 21.3586 22.1332 22.1332 22.2590 22.2590 27.4571 27.4571 k = 0.1111 0.1925 0.4974 ( 986 PWs) bands (ev): -40.6597 -40.6597 -16.6087 -16.6087 -14.3136 -14.3136 -13.8832 -13.8832 8.7379 8.7379 12.5442 12.5442 14.9477 14.9477 15.6118 15.6118 17.2635 17.2635 19.7480 19.7480 21.2490 21.2490 22.0308 22.0308 22.1669 22.1669 27.3305 27.3305 k = 0.1063 0.1841 0.4974 ( 990 PWs) bands (ev): -40.6615 -40.6615 -16.6059 -16.6059 -14.3107 -14.3107 -13.8744 -13.8744 8.7347 8.7347 12.4609 12.4609 15.0861 15.0861 15.6928 15.6928 17.3520 17.3520 19.6681 19.6681 21.1381 21.1381 21.8740 21.8740 22.1302 22.1302 27.2002 27.2002 k = 0.1014 0.1757 0.4974 ( 990 PWs) bands (ev): -40.6632 -40.6632 -16.6031 -16.6031 -14.3078 -14.3078 -13.8658 -13.8658 8.7317 8.7317 12.3804 12.3804 15.2253 15.2253 15.7769 15.7769 17.4414 17.4414 19.5915 19.5915 21.0261 21.0261 21.7075 21.7075 22.1043 22.1043 27.0672 27.0672 k = 0.0966 0.1673 0.4974 ( 994 PWs) bands (ev): -40.6650 -40.6650 -16.6004 -16.6004 -14.3051 -14.3051 -13.8574 -13.8574 8.7291 8.7291 12.3026 12.3026 15.3650 15.3650 15.8640 15.8640 17.5312 17.5312 19.5183 19.5183 20.9129 20.9129 21.5393 21.5393 22.0814 22.0814 26.9322 26.9322 k = 0.0918 0.1590 0.4974 ( 994 PWs) bands (ev): -40.6665 -40.6665 -16.5978 -16.5978 -14.3024 -14.3024 -13.8491 -13.8491 8.7268 8.7268 12.2277 12.2277 15.5053 15.5053 15.9541 15.9541 17.6213 17.6213 19.4485 19.4485 20.7984 20.7984 21.3709 21.3709 22.0602 22.0602 26.7961 26.7961 k = 0.0870 0.1506 0.4974 ( 994 PWs) bands (ev): -40.6681 -40.6681 -16.5954 -16.5954 -14.2999 -14.2999 -13.8410 -13.8410 8.7248 8.7248 12.1559 12.1559 15.6460 15.6460 16.0471 16.0471 17.7113 17.7113 19.3822 19.3822 20.6827 20.6827 21.2030 21.2030 22.0401 22.0401 26.6598 26.6598 k = 0.0821 0.1422 0.4974 ( 994 PWs) bands (ev): -40.6695 -40.6695 -16.5930 -16.5930 -14.2974 -14.2974 -13.8332 -13.8332 8.7229 8.7229 12.0873 12.0873 15.7871 15.7871 16.1430 16.1430 17.8008 17.8008 19.3194 19.3194 20.5658 20.5658 21.0357 21.0357 22.0211 22.0211 26.5240 26.5240 k = 0.0773 0.1339 0.4974 ( 998 PWs) bands (ev): -40.6711 -40.6711 -16.5909 -16.5909 -14.2951 -14.2951 -13.8257 -13.8257 8.7213 8.7213 12.0219 12.0219 15.9284 15.9284 16.2418 16.2418 17.8895 17.8895 19.2602 19.2602 20.4478 20.4478 20.8693 20.8693 22.0031 22.0031 26.3895 26.3895 k = 0.0725 0.1255 0.4974 ( 990 PWs) bands (ev): -40.6721 -40.6721 -16.5887 -16.5887 -14.2928 -14.2928 -13.8183 -13.8183 8.7199 8.7199 11.9599 11.9599 16.0698 16.0698 16.3433 16.3433 17.9770 17.9770 19.2046 19.2046 20.3286 20.3286 20.7040 20.7040 21.9860 21.9860 26.2573 26.2573 k = 0.0676 0.1171 0.4974 ( 990 PWs) bands (ev): -40.6734 -40.6734 -16.5867 -16.5867 -14.2907 -14.2907 -13.8113 -13.8113 8.7186 8.7186 11.9014 11.9014 16.2111 16.2111 16.4474 16.4474 18.0627 18.0627 19.1526 19.1526 20.2084 20.2084 20.5400 20.5400 21.9699 21.9699 26.1279 26.1279 k = 0.0628 0.1088 0.4974 ( 990 PWs) bands (ev): -40.6746 -40.6746 -16.5848 -16.5848 -14.2888 -14.2888 -13.8047 -13.8047 8.7175 8.7175 11.8465 11.8465 16.3521 16.3521 16.5541 16.5541 18.1461 18.1461 19.1043 19.1043 20.0872 20.0872 20.3775 20.3775 21.9549 21.9549 26.0023 26.0023 k = 0.0580 0.1004 0.4974 ( 990 PWs) bands (ev): -40.6757 -40.6757 -16.5831 -16.5831 -14.2870 -14.2870 -13.7985 -13.7985 8.7166 8.7166 11.7953 11.7953 16.4927 16.4927 16.6633 16.6633 18.2267 18.2267 19.0599 19.0599 19.9652 19.9652 20.2166 20.2166 21.9408 21.9408 25.8814 25.8814 k = 0.0531 0.0920 0.4974 ( 990 PWs) bands (ev): -40.6768 -40.6768 -16.5815 -16.5815 -14.2853 -14.2853 -13.7926 -13.7926 8.7157 8.7157 11.7478 11.7478 16.6326 16.6326 16.7746 16.7746 18.3038 18.3038 19.0192 19.0192 19.8425 19.8425 20.0576 20.0576 21.9278 21.9278 25.7658 25.7658 k = 0.0483 0.0837 0.4974 ( 990 PWs) bands (ev): -40.6777 -40.6777 -16.5801 -16.5801 -14.2837 -14.2837 -13.7872 -13.7872 8.7150 8.7150 11.7042 11.7042 16.7714 16.7714 16.8881 16.8881 18.3768 18.3768 18.9826 18.9826 19.7193 19.7193 19.9008 19.9008 21.9159 21.9159 25.6565 25.6565 k = 0.0435 0.0753 0.4974 ( 994 PWs) bands (ev): -40.6787 -40.6787 -16.5788 -16.5788 -14.2824 -14.2824 -13.7823 -13.7823 8.7144 8.7144 11.6646 11.6646 16.9087 16.9087 17.0033 17.0033 18.4448 18.4448 18.9501 18.9501 19.5960 19.5960 19.7466 19.7466 21.9050 21.9050 25.5543 25.5543 k = 0.0386 0.0669 0.4974 ( 994 PWs) bands (ev): -40.6795 -40.6795 -16.5776 -16.5776 -14.2811 -14.2811 -13.7778 -13.7778 8.7138 8.7138 11.6289 11.6289 17.0437 17.0437 17.1201 17.1201 18.5070 18.5070 18.9221 18.9221 19.4730 19.4730 19.5955 19.5955 21.8952 21.8952 25.4600 25.4600 k = 0.0338 0.0586 0.4974 ( 990 PWs) bands (ev): -40.6801 -40.6801 -16.5765 -16.5765 -14.2800 -14.2800 -13.7737 -13.7737 8.7134 8.7134 11.5972 11.5972 17.1756 17.1756 17.2379 17.2379 18.5624 18.5624 18.8988 18.8988 19.3510 19.3510 19.4481 19.4481 21.8866 21.8866 25.3745 25.3745 k = 0.0290 0.0502 0.4974 ( 990 PWs) bands (ev): -40.6807 -40.6807 -16.5756 -16.5756 -14.2790 -14.2790 -13.7702 -13.7702 8.7130 8.7130 11.5697 11.5697 17.3032 17.3032 17.3560 17.3560 18.6098 18.6098 18.8808 18.8808 19.2310 19.2310 19.3055 19.3055 21.8790 21.8790 25.2985 25.2985 k = 0.0242 0.0418 0.4974 ( 994 PWs) bands (ev): -40.6814 -40.6814 -16.5749 -16.5749 -14.2782 -14.2782 -13.7672 -13.7672 8.7127 8.7127 11.5464 11.5464 17.4247 17.4247 17.4729 17.4729 18.6480 18.6480 18.8688 18.8688 19.1144 19.1144 19.1691 19.1691 21.8726 21.8726 25.2327 25.2327 k = 0.0193 0.0335 0.4974 ( 994 PWs) bands (ev): -40.6818 -40.6818 -16.5743 -16.5743 -14.2776 -14.2776 -13.7647 -13.7647 8.7125 8.7125 11.5272 11.5272 17.5382 17.5382 17.5859 17.5859 18.6762 18.6762 18.8629 18.8629 19.0038 19.0038 19.0415 19.0415 21.8674 21.8674 25.1778 25.1778 k = 0.0145 0.0251 0.4974 ( 992 PWs) bands (ev): -40.6821 -40.6821 -16.5738 -16.5738 -14.2770 -14.2770 -13.7627 -13.7627 8.7123 8.7123 11.5122 11.5122 17.6402 17.6402 17.6903 17.6903 18.6947 18.6947 18.8624 18.8624 18.9032 18.9032 18.9265 18.9265 21.8633 21.8633 25.1345 25.1345 k = 0.0097 0.0167 0.4974 ( 988 PWs) bands (ev): -40.6822 -40.6822 -16.5734 -16.5734 -14.2766 -14.2766 -13.7613 -13.7613 8.7122 8.7122 11.5015 11.5015 17.7247 17.7247 17.7785 17.7785 18.7055 18.7055 18.8189 18.8189 18.8305 18.8305 18.8656 18.8656 21.8604 21.8604 25.1032 25.1032 k = 0.0048 0.0084 0.4974 ( 996 PWs) bands (ev): -40.6826 -40.6826 -16.5732 -16.5732 -14.2764 -14.2764 -13.7606 -13.7606 8.7121 8.7121 11.4951 11.4951 17.7827 17.7827 17.8400 17.8400 18.7120 18.7120 18.7608 18.7608 18.7637 18.7637 18.8687 18.8687 21.8586 21.8586 25.0842 25.0842 k = 0.0000 0.0000 0.4974 ( 996 PWs) bands (ev): -40.6826 -40.6826 -16.5732 -16.5732 -14.2764 -14.2764 -13.7603 -13.7603 8.7121 8.7121 11.4930 11.4930 17.8037 17.8037 17.8625 17.8625 18.7166 18.7166 18.7366 18.7366 18.7399 18.7399 18.8700 18.8700 21.8580 21.8580 25.0779 25.0779 k = 0.5000 0.2887 0.4974 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7038 -16.7038 -14.4304 -14.4304 -14.0603 -14.0603 8.8863 8.8863 12.5221 12.5221 13.6862 13.6862 14.2369 14.2369 16.9351 16.9351 22.6018 22.6018 22.7239 22.7239 24.9592 24.9592 25.8861 25.8861 26.1743 26.1743 k = 0.5000 0.2887 0.4878 ( 960 PWs) bands (ev): -40.6113 -40.6113 -16.7037 -16.7037 -14.4302 -14.4302 -14.0603 -14.0603 8.8876 8.8876 12.5153 12.5153 13.6878 13.6878 14.2434 14.2434 16.9341 16.9341 22.6012 22.6012 22.7162 22.7162 24.9609 24.9609 25.8795 25.8795 26.1750 26.1750 k = 0.5000 0.2887 0.4783 ( 960 PWs) bands (ev): -40.6114 -40.6114 -16.7034 -16.7034 -14.4297 -14.4297 -14.0603 -14.0603 8.8912 8.8912 12.4953 12.4953 13.6925 13.6925 14.2626 14.2626 16.9311 16.9311 22.5994 22.5994 22.6933 22.6933 24.9660 24.9660 25.8598 25.8598 26.1772 26.1772 k = 0.5000 0.2887 0.4687 ( 960 PWs) bands (ev): -40.6116 -40.6116 -16.7029 -16.7029 -14.4288 -14.4288 -14.0603 -14.0603 8.8974 8.8974 12.4629 12.4629 13.7004 13.7004 14.2934 14.2934 16.9261 16.9261 22.5956 22.5956 22.6569 22.6569 24.9737 24.9737 25.8270 25.8270 26.1810 26.1810 k = 0.5000 0.2887 0.4591 ( 962 PWs) bands (ev): -40.6119 -40.6119 -16.7023 -16.7023 -14.4277 -14.4277 -14.0604 -14.0604 8.9059 8.9059 12.4196 12.4196 13.7113 13.7113 14.3346 14.3346 16.9190 16.9190 22.5840 22.5840 22.6146 22.6146 24.9830 24.9830 25.7816 25.7816 26.1865 26.1865 k = 0.5000 0.2887 0.4496 ( 966 PWs) bands (ev): -40.6123 -40.6123 -16.7015 -16.7015 -14.4262 -14.4262 -14.0605 -14.0605 8.9168 8.9168 12.3668 12.3668 13.7254 13.7254 14.3845 14.3845 16.9100 16.9100 22.5364 22.5364 22.5962 22.5962 24.9929 24.9929 25.7241 25.7241 26.1938 26.1938 k = 0.5000 0.2887 0.4400 ( 966 PWs) bands (ev): -40.6126 -40.6126 -16.7005 -16.7005 -14.4243 -14.4243 -14.0606 -14.0606 8.9302 8.9302 12.3061 12.3061 13.7426 13.7426 14.4415 14.4415 16.8990 16.8990 22.4676 22.4676 22.5890 22.5890 25.0024 25.0024 25.6553 25.6553 26.2028 26.2028 k = 0.5000 0.2887 0.4304 ( 966 PWs) bands (ev): -40.6130 -40.6130 -16.6992 -16.6992 -14.4222 -14.4222 -14.0606 -14.0606 8.9460 8.9460 12.2389 12.2389 13.7628 13.7628 14.5042 14.5042 16.8860 16.8860 22.3902 22.3902 22.5825 22.5825 25.0106 25.0106 25.5760 25.5760 26.2134 26.2134 k = 0.5000 0.2887 0.4209 ( 970 PWs) bands (ev): -40.6136 -40.6136 -16.6979 -16.6979 -14.4197 -14.4197 -14.0607 -14.0607 8.9640 8.9640 12.1665 12.1665 13.7860 13.7860 14.5711 14.5711 16.8711 16.8711 22.3073 22.3073 22.5755 22.5755 25.0168 25.0168 25.4873 25.4873 26.2257 26.2257 k = 0.5000 0.2887 0.4113 ( 968 PWs) bands (ev): -40.6141 -40.6141 -16.6964 -16.6964 -14.4170 -14.4170 -14.0607 -14.0607 8.9844 8.9844 12.0899 12.0899 13.8123 13.8123 14.6410 14.6410 16.8543 16.8543 22.2207 22.2207 22.5678 22.5678 25.0205 25.0205 25.3899 25.3899 26.2396 26.2396 k = 0.5000 0.2887 0.4017 ( 968 PWs) bands (ev): -40.6147 -40.6147 -16.6947 -16.6947 -14.4139 -14.4139 -14.0607 -14.0607 9.0071 9.0071 12.0101 12.0101 13.8415 13.8415 14.7129 14.7129 16.8355 16.8355 22.1322 22.1322 22.5595 22.5595 25.0215 25.0215 25.2849 25.2849 26.2551 26.2551 k = 0.5000 0.2887 0.3922 ( 976 PWs) bands (ev): -40.6156 -40.6156 -16.6930 -16.6930 -14.4107 -14.4107 -14.0608 -14.0608 9.0319 9.0319 11.9278 11.9278 13.8737 13.8737 14.7857 14.7857 16.8149 16.8149 22.0433 22.0433 22.5504 22.5504 25.0196 25.0196 25.1732 25.1732 26.2720 26.2720 k = 0.5000 0.2887 0.3826 ( 980 PWs) bands (ev): -40.6164 -40.6164 -16.6911 -16.6911 -14.4072 -14.4072 -14.0608 -14.0608 9.0590 9.0590 11.8437 11.8437 13.9089 13.9089 14.8588 14.8588 16.7925 16.7925 21.9553 21.9553 22.5407 22.5407 25.0133 25.0133 25.0570 25.0570 26.2905 26.2905 k = 0.5000 0.2887 0.3730 ( 980 PWs) bands (ev): -40.6171 -40.6171 -16.6890 -16.6890 -14.4034 -14.4034 -14.0607 -14.0607 9.0882 9.0882 11.7582 11.7582 13.9469 13.9469 14.9314 14.9314 16.7682 16.7682 21.8694 21.8694 22.5304 22.5304 24.9300 24.9300 25.0099 25.0099 26.3105 26.3105 k = 0.5000 0.2887 0.3635 ( 980 PWs) bands (ev): -40.6179 -40.6179 -16.6868 -16.6868 -14.3994 -14.3994 -14.0605 -14.0605 9.1194 9.1194 11.6719 11.6719 13.9878 13.9878 15.0028 15.0028 16.7422 16.7422 21.7866 21.7866 22.5195 22.5195 24.8030 24.8030 24.9992 24.9992 26.3319 26.3319 k = 0.5000 0.2887 0.3539 ( 976 PWs) bands (ev): -40.6186 -40.6186 -16.6844 -16.6844 -14.3952 -14.3952 -14.0602 -14.0602 9.1527 9.1527 11.5852 11.5852 14.0315 14.0315 15.0724 15.0724 16.7145 16.7145 21.7078 21.7078 22.5080 22.5080 24.6715 24.6715 24.9867 24.9867 26.3548 26.3548 k = 0.5000 0.2887 0.3443 ( 976 PWs) bands (ev): -40.6195 -40.6195 -16.6820 -16.6820 -14.3908 -14.3908 -14.0599 -14.0599 9.1879 9.1879 11.4982 11.4982 14.0779 14.0779 15.1398 15.1398 16.6851 16.6851 21.6340 21.6340 22.4960 22.4960 24.5364 24.5364 24.9719 24.9719 26.3792 26.3792 k = 0.5000 0.2887 0.3348 ( 976 PWs) bands (ev): -40.6204 -40.6204 -16.6795 -16.6795 -14.3863 -14.3863 -14.0595 -14.0595 9.2249 9.2249 11.4114 11.4114 14.1270 14.1270 15.2044 15.2044 16.6541 16.6541 21.5657 21.5657 22.4836 22.4836 24.3984 24.3984 24.9549 24.9549 26.4049 26.4049 k = 0.5000 0.2887 0.3252 ( 976 PWs) bands (ev): -40.6213 -40.6213 -16.6770 -16.6770 -14.3817 -14.3817 -14.0589 -14.0589 9.2637 9.2637 11.3249 11.3249 14.1788 14.1788 15.2658 15.2658 16.6216 16.6216 21.5038 21.5038 22.4708 22.4708 24.2581 24.2581 24.9358 24.9358 26.4321 26.4321 k = 0.5000 0.2887 0.3156 ( 972 PWs) bands (ev): -40.6222 -40.6222 -16.6744 -16.6744 -14.3771 -14.3771 -14.0581 -14.0581 9.3042 9.3042 11.2390 11.2390 14.2332 14.2332 15.3237 15.3237 16.5875 16.5875 21.4487 21.4487 22.4576 22.4576 24.1157 24.1157 24.9147 24.9147 26.4607 26.4607 k = 0.5000 0.2887 0.3061 ( 976 PWs) bands (ev): -40.6233 -40.6233 -16.6718 -16.6718 -14.3724 -14.3724 -14.0572 -14.0572 9.3463 9.3463 11.1539 11.1539 14.2900 14.2900 15.3776 15.3776 16.5520 16.5520 21.4011 21.4011 22.4441 22.4441 23.9717 23.9717 24.8918 24.8918 26.4907 26.4907 k = 0.5000 0.2887 0.2965 ( 980 PWs) bands (ev): -40.6244 -40.6244 -16.6692 -16.6692 -14.3678 -14.3678 -14.0562 -14.0562 9.3899 9.3899 11.0697 11.0697 14.3493 14.3493 15.4273 15.4273 16.5152 16.5152 21.3612 21.3612 22.4303 22.4303 23.8264 23.8264 24.8670 24.8670 26.5220 26.5220 k = 0.5000 0.2887 0.2870 ( 980 PWs) bands (ev): -40.6255 -40.6255 -16.6665 -16.6665 -14.3631 -14.3631 -14.0550 -14.0550 9.4349 9.4349 10.9867 10.9867 14.4109 14.4109 15.4725 15.4725 16.4771 16.4771 21.3295 21.3295 22.4164 22.4164 23.6802 23.6802 24.8406 24.8406 26.5547 26.5547 k = 0.5000 0.2887 0.2774 ( 980 PWs) bands (ev): -40.6265 -40.6265 -16.6638 -16.6638 -14.3584 -14.3584 -14.0536 -14.0536 9.4811 9.4811 10.9049 10.9049 14.4748 14.4748 15.5131 15.5131 16.4378 16.4378 21.3063 21.3063 22.4022 22.4022 23.5334 23.5334 24.8125 24.8125 26.5886 26.5886 k = 0.5000 0.2887 0.2678 ( 980 PWs) bands (ev): -40.6276 -40.6276 -16.6611 -16.6611 -14.3538 -14.3538 -14.0520 -14.0520 9.5285 9.5285 10.8245 10.8245 14.5408 14.5408 15.5490 15.5490 16.3974 16.3974 21.2916 21.2916 22.3880 22.3880 23.3864 23.3864 24.7829 24.7829 26.6239 26.6239 k = 0.5000 0.2887 0.2583 ( 984 PWs) bands (ev): -40.6288 -40.6288 -16.6584 -16.6584 -14.3493 -14.3493 -14.0503 -14.0503 9.5769 9.5769 10.7457 10.7457 14.6088 14.6088 15.5802 15.5802 16.3561 16.3561 21.2856 21.2856 22.3736 22.3736 23.2393 23.2393 24.7517 24.7517 26.6603 26.6603 k = 0.5000 0.2887 0.2487 ( 982 PWs) bands (ev): -40.6298 -40.6298 -16.6557 -16.6557 -14.3449 -14.3449 -14.0483 -14.0483 9.6262 9.6262 10.6686 10.6686 14.6788 14.6788 15.6066 15.6066 16.3138 16.3138 21.2882 21.2882 22.3591 22.3591 23.0925 23.0925 24.7191 24.7191 26.6980 26.6980 k = 0.5000 0.2887 0.2391 ( 980 PWs) bands (ev): -40.6308 -40.6308 -16.6531 -16.6531 -14.3406 -14.3406 -14.0461 -14.0461 9.6762 9.6762 10.5933 10.5933 14.7506 14.7506 15.6284 15.6284 16.2708 16.2708 21.2994 21.2994 22.3445 22.3445 22.9464 22.9464 24.6849 24.6849 26.7369 26.7369 k = 0.5000 0.2887 0.2296 ( 980 PWs) bands (ev): -40.6319 -40.6319 -16.6505 -16.6505 -14.3365 -14.3365 -14.0437 -14.0437 9.7268 9.7268 10.5200 10.5200 14.8240 14.8240 15.6457 15.6457 16.2272 16.2272 21.3190 21.3190 22.3297 22.3297 22.8014 22.8014 24.6493 24.6493 26.7769 26.7769 k = 0.5000 0.2887 0.2200 ( 980 PWs) bands (ev): -40.6329 -40.6329 -16.6479 -16.6479 -14.3327 -14.3327 -14.0411 -14.0411 9.7778 9.7778 10.4487 10.4487 14.8989 14.8989 15.6587 15.6587 16.1831 16.1831 21.3466 21.3466 22.3142 22.3142 22.6582 22.6582 24.6121 24.6121 26.8180 26.8180 k = 0.5000 0.2887 0.2104 ( 980 PWs) bands (ev): -40.6340 -40.6340 -16.6454 -16.6454 -14.3290 -14.3290 -14.0383 -14.0383 9.8290 9.8290 10.3796 10.3796 14.9751 14.9751 15.6678 15.6678 16.1386 16.1386 21.3821 21.3821 22.2968 22.2968 22.5184 22.5184 24.5734 24.5734 26.8601 26.8601 k = 0.5000 0.2887 0.2009 ( 978 PWs) bands (ev): -40.6349 -40.6349 -16.6430 -16.6430 -14.3255 -14.3255 -14.0353 -14.0353 9.8801 9.8801 10.3128 10.3128 15.0524 15.0524 15.6732 15.6732 16.0939 16.0939 21.4249 21.4249 22.2703 22.2703 22.3894 22.3894 24.5332 24.5332 26.9032 26.9032 k = 0.5000 0.2887 0.1913 ( 986 PWs) bands (ev): -40.6362 -40.6362 -16.6407 -16.6407 -14.3223 -14.3223 -14.0323 -14.0323 9.9310 9.9310 10.2486 10.2486 15.1305 15.1305 15.6752 15.6752 16.0493 16.0493 21.4746 21.4746 22.1971 22.1971 22.3092 22.3092 24.4914 24.4914 26.9472 26.9472 k = 0.5000 0.2887 0.1817 ( 984 PWs) bands (ev): -40.6371 -40.6371 -16.6384 -16.6384 -14.3193 -14.3193 -14.0290 -14.0290 9.9811 9.9811 10.1872 10.1872 15.2094 15.2094 15.6743 15.6743 16.0048 16.0048 21.5308 21.5308 22.0741 22.0741 22.2815 22.2815 24.4480 24.4480 26.9920 26.9920 k = 0.5000 0.2887 0.1722 ( 984 PWs) bands (ev): -40.6381 -40.6381 -16.6363 -16.6363 -14.3165 -14.3165 -14.0257 -14.0257 10.0289 10.0289 10.1303 10.1303 15.2886 15.2886 15.6707 15.6707 15.9607 15.9607 21.5928 21.5928 21.9426 21.9426 22.2652 22.2652 24.4028 24.4028 27.0376 27.0376 k = 0.5000 0.2887 0.1626 ( 984 PWs) bands (ev): -40.6390 -40.6390 -16.6342 -16.6342 -14.3139 -14.3139 -14.0222 -14.0222 10.0524 10.0524 10.0995 10.0995 15.3679 15.3679 15.6649 15.6649 15.9172 15.9172 21.6593 21.6593 21.8123 21.8123 22.2518 22.2518 24.3559 24.3559 27.0839 27.0839 k = 0.5000 0.2887 0.1530 ( 984 PWs) bands (ev): -40.6399 -40.6399 -16.6322 -16.6322 -14.3115 -14.3115 -14.0188 -14.0188 10.0098 10.0098 10.1365 10.1365 15.4469 15.4469 15.6573 15.6573 15.8746 15.8746 21.6757 21.6757 21.7391 21.7391 22.2400 22.2400 24.3071 24.3071 27.1306 27.1306 k = 0.5000 0.2887 0.1435 ( 988 PWs) bands (ev): -40.6409 -40.6409 -16.6303 -16.6303 -14.3095 -14.3095 -14.0153 -14.0153 9.9602 9.9602 10.1822 10.1822 15.5252 15.5252 15.6482 15.6482 15.8332 15.8332 21.5536 21.5536 21.8118 21.8118 22.2294 22.2294 24.2564 24.2564 27.1777 27.1777 k = 0.5000 0.2887 0.1339 ( 986 PWs) bands (ev): -40.6417 -40.6417 -16.6285 -16.6285 -14.3075 -14.3075 -14.0118 -14.0118 9.9123 9.9123 10.2276 10.2276 15.6018 15.6018 15.6381 15.6381 15.7935 15.7935 21.4315 21.4315 21.8914 21.8914 22.2199 22.2199 24.2036 24.2036 27.2251 27.2251 k = 0.5000 0.2887 0.1243 ( 986 PWs) bands (ev): -40.6425 -40.6425 -16.6268 -16.6268 -14.3058 -14.3058 -14.0084 -14.0084 9.8671 9.8671 10.2717 10.2717 15.6263 15.6263 15.6750 15.6750 15.7582 15.7582 21.3134 21.3134 21.9737 21.9737 22.2123 22.2123 24.1488 24.1488 27.2723 27.2723 k = 0.5000 0.2887 0.1148 ( 988 PWs) bands (ev): -40.6432 -40.6432 -16.6253 -16.6253 -14.3043 -14.3043 -14.0051 -14.0051 9.8248 9.8248 10.3139 10.3139 15.6145 15.6145 15.7050 15.7050 15.7653 15.7653 21.2000 21.2000 22.0558 22.0558 22.2084 22.2084 24.0917 24.0917 27.3193 27.3193 k = 0.5000 0.2887 0.1052 ( 988 PWs) bands (ev): -40.6439 -40.6439 -16.6238 -16.6238 -14.3029 -14.3029 -14.0018 -14.0018 9.7856 9.7856 10.3540 10.3540 15.6022 15.6022 15.6764 15.6764 15.8311 15.8311 21.0919 21.0919 22.1271 22.1271 22.2183 22.2183 24.0324 24.0324 27.3658 27.3658 k = 0.5000 0.2887 0.0957 ( 988 PWs) bands (ev): -40.6446 -40.6446 -16.6225 -16.6225 -14.3017 -14.3017 -13.9987 -13.9987 9.7495 9.7495 10.3918 10.3918 15.5893 15.5893 15.6454 15.6454 15.8991 15.8991 20.9898 20.9898 22.1578 22.1578 22.2715 22.2715 23.9708 23.9708 27.4112 27.4112 k = 0.5000 0.2887 0.0861 ( 992 PWs) bands (ev): -40.6453 -40.6453 -16.6213 -16.6213 -14.3007 -14.3007 -13.9959 -13.9959 9.7167 9.7167 10.4268 10.4268 15.5753 15.5753 15.6175 15.6175 15.9642 15.9642 20.8943 20.8943 22.1605 22.1605 22.3545 22.3545 23.9069 23.9069 27.4553 27.4553 k = 0.5000 0.2887 0.0765 ( 992 PWs) bands (ev): -40.6458 -40.6458 -16.6203 -16.6203 -14.2998 -14.2998 -13.9932 -13.9932 9.6871 9.6871 10.4589 10.4589 15.5594 15.5594 15.5944 15.5944 16.0254 16.0254 20.8061 20.8061 22.1576 22.1576 22.4448 22.4448 23.8406 23.8406 27.4975 27.4975 k = 0.5000 0.2887 0.0670 ( 994 PWs) bands (ev): -40.6463 -40.6463 -16.6193 -16.6193 -14.2991 -14.2991 -13.9908 -13.9908 9.6609 9.6609 10.4879 10.4879 15.5411 15.5411 15.5771 15.5771 16.0817 16.0817 20.7259 20.7259 22.1535 22.1535 22.5371 22.5371 23.7720 23.7720 27.5373 27.5373 k = 0.5000 0.2887 0.0574 ( 994 PWs) bands (ev): -40.6467 -40.6467 -16.6185 -16.6185 -14.2984 -14.2984 -13.9886 -13.9886 9.6381 9.6381 10.5135 10.5135 15.5220 15.5220 15.5646 15.5646 16.1325 16.1325 20.6545 20.6545 22.1494 22.1494 22.6299 22.6299 23.7013 23.7013 27.5739 27.5739 k = 0.5000 0.2887 0.0478 ( 990 PWs) bands (ev): -40.6470 -40.6470 -16.6177 -16.6177 -14.2979 -14.2979 -13.9867 -13.9867 9.6187 9.6187 10.5356 10.5356 15.5041 15.5041 15.5550 15.5550 16.1770 16.1770 20.5925 20.5925 22.1458 22.1458 22.7221 22.7221 23.6287 23.6287 27.6068 27.6068 k = 0.5000 0.2887 0.0383 ( 990 PWs) bands (ev): -40.6472 -40.6472 -16.6171 -16.6171 -14.2975 -14.2975 -13.9852 -13.9852 9.6028 9.6028 10.5539 10.5539 15.4888 15.4888 15.5476 15.5476 16.2145 16.2145 20.5407 20.5407 22.1427 22.1427 22.8127 22.8127 23.5547 23.5547 27.6350 27.6350 k = 0.5000 0.2887 0.0287 ( 990 PWs) bands (ev): -40.6475 -40.6475 -16.6167 -16.6167 -14.2972 -14.2972 -13.9839 -13.9839 9.5904 9.5904 10.5683 10.5683 15.4764 15.4764 15.5419 15.5419 16.2444 16.2444 20.4997 20.4997 22.1402 22.1402 22.9002 22.9002 23.4804 23.4804 27.6580 27.6580 k = 0.5000 0.2887 0.0191 ( 990 PWs) bands (ev): -40.6476 -40.6476 -16.6164 -16.6164 -14.2969 -14.2969 -13.9830 -13.9830 9.5816 9.5816 10.5787 10.5787 15.4674 15.4674 15.5378 15.5378 16.2662 16.2662 20.4699 20.4699 22.1384 22.1384 22.9816 22.9816 23.4087 23.4087 27.6750 27.6750 k = 0.5000 0.2887 0.0096 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2968 -14.2968 -13.9824 -13.9824 9.5762 9.5762 10.5849 10.5849 15.4620 15.4620 15.5354 15.5354 16.2794 16.2794 20.4519 20.4519 22.1373 22.1373 23.0487 23.0487 23.3474 23.3474 27.6854 27.6854 k = 0.5000 0.2887-0.0000 ( 986 PWs) bands (ev): -40.6476 -40.6476 -16.6161 -16.6161 -14.2967 -14.2967 -13.9823 -13.9823 9.5745 9.5745 10.5870 10.5870 15.4602 15.4602 15.5346 15.5346 16.2839 16.2839 20.4459 20.4459 22.1369 22.1369 23.0785 23.0785 23.3196 23.3196 27.6889 27.6889 k = 0.3333 0.5774-0.0000 ( 996 PWs) bands (ev): -40.6390 -40.6390 -16.6292 -16.6292 -14.2792 -14.2792 -14.0783 -14.0783 11.0822 11.0822 11.2176 11.2176 11.6837 11.6837 16.8437 16.8437 16.8914 16.8914 20.3167 20.3167 20.4541 20.4541 20.7638 20.7638 28.2709 28.2709 28.3417 28.3417 k = 0.3333 0.5774 0.0096 ( 996 PWs) bands (ev): -40.6389 -40.6389 -16.6293 -16.6293 -14.2792 -14.2792 -14.0786 -14.0786 11.0812 11.0812 11.2166 11.2166 11.6859 11.6859 16.8410 16.8410 16.8886 16.8886 20.3223 20.3223 20.4594 20.4594 20.7650 20.7650 28.2677 28.2677 28.3386 28.3386 k = 0.3333 0.5774 0.0191 ( 996 PWs) bands (ev): -40.6388 -40.6388 -16.6295 -16.6295 -14.2790 -14.2790 -14.0795 -14.0795 11.0783 11.0783 11.2133 11.2133 11.6924 11.6924 16.8329 16.8329 16.8803 16.8803 20.3391 20.3391 20.4753 20.4753 20.7687 20.7687 28.2579 28.2579 28.3290 28.3290 k = 0.3333 0.5774 0.0287 ( 996 PWs) bands (ev): -40.6387 -40.6387 -16.6298 -16.6298 -14.2786 -14.2786 -14.0809 -14.0809 11.0735 11.0735 11.2079 11.2079 11.7033 11.7033 16.8197 16.8197 16.8666 16.8666 20.3667 20.3667 20.5015 20.5015 20.7747 20.7747 28.2418 28.2418 28.3133 28.3133 k = 0.3333 0.5774 0.0383 ( 990 PWs) bands (ev): -40.6383 -40.6383 -16.6301 -16.6301 -14.2781 -14.2781 -14.0827 -14.0827 11.0668 11.0668 11.2003 11.2003 11.7185 11.7185 16.8017 16.8017 16.8479 16.8479 20.4049 20.4049 20.5378 20.5378 20.7832 20.7832 28.2195 28.2195 28.2916 28.2916 k = 0.3333 0.5774 0.0478 ( 990 PWs) bands (ev): -40.6380 -40.6380 -16.6307 -16.6307 -14.2775 -14.2775 -14.0853 -14.0853 11.0582 11.0582 11.1907 11.1907 11.7380 11.7380 16.7792 16.7792 16.8246 16.8246 20.4531 20.4531 20.5834 20.5834 20.7942 20.7942 28.1913 28.1913 28.2640 28.2640 k = 0.3333 0.5774 0.0574 ( 990 PWs) bands (ev): -40.6376 -40.6376 -16.6313 -16.6313 -14.2768 -14.2768 -14.0883 -14.0883 11.0478 11.0478 11.1789 11.1789 11.7617 11.7617 16.7527 16.7527 16.7973 16.7973 20.5108 20.5108 20.6378 20.6378 20.8079 20.8079 28.1576 28.1576 28.2310 28.2310 k = 0.3333 0.5774 0.0670 ( 984 PWs) bands (ev): -40.6370 -40.6370 -16.6321 -16.6321 -14.2759 -14.2759 -14.0918 -14.0918 11.0356 11.0356 11.1651 11.1651 11.7896 11.7896 16.7226 16.7226 16.7665 16.7665 20.5773 20.5773 20.6999 20.6999 20.8249 20.8249 28.1186 28.1186 28.1929 28.1929 k = 0.3333 0.5774 0.0765 ( 978 PWs) bands (ev): -40.6364 -40.6364 -16.6329 -16.6329 -14.2748 -14.2748 -14.0958 -14.0958 11.0217 11.0217 11.1494 11.1494 11.8216 11.8216 16.6896 16.6896 16.7327 16.7327 20.6520 20.6520 20.7670 20.7670 20.8472 20.8472 28.0749 28.0749 28.1500 28.1500 k = 0.3333 0.5774 0.0861 ( 981 PWs) bands (ev): -40.6359 -40.6359 -16.6340 -16.6340 -14.2737 -14.2737 -14.1005 -14.1005 11.0060 11.0060 11.1317 11.1317 11.8576 11.8576 16.6541 16.6541 16.6966 16.6966 20.7342 20.7342 20.8281 20.8281 20.8849 20.8849 28.0268 28.0268 28.1027 28.1027 k = 0.3333 0.5774 0.0957 ( 981 PWs) bands (ev): -40.6354 -40.6354 -16.6351 -16.6351 -14.2724 -14.2724 -14.1055 -14.1055 10.9887 10.9887 11.1121 11.1121 11.8975 11.8975 16.6166 16.6166 16.6586 16.6586 20.8233 20.8233 20.8663 20.8663 20.9546 20.9546 27.9747 27.9747 28.0515 28.0515 k = 0.3333 0.5774 0.1052 ( 981 PWs) bands (ev): -40.6347 -40.6347 -16.6364 -16.6364 -14.2711 -14.2711 -14.1110 -14.1110 10.9699 10.9699 11.0908 11.0908 11.9413 11.9413 16.5776 16.5776 16.6193 16.6193 20.8949 20.8949 20.9186 20.9186 21.0422 21.0422 27.9191 27.9191 27.9968 27.9968 k = 0.3333 0.5774 0.1148 ( 981 PWs) bands (ev): -40.6341 -40.6341 -16.6378 -16.6378 -14.2696 -14.2696 -14.1169 -14.1169 10.9495 10.9495 11.0677 11.0677 11.9888 11.9888 16.5377 16.5377 16.5791 16.5791 20.9229 20.9229 21.0195 21.0195 21.1382 21.1382 27.8604 27.8604 27.9389 27.9389 k = 0.3333 0.5774 0.1243 ( 981 PWs) bands (ev): -40.6333 -40.6333 -16.6392 -16.6392 -14.2680 -14.2680 -14.1232 -14.1232 10.9277 10.9277 11.0430 11.0430 12.0399 12.0399 16.4971 16.4971 16.5385 16.5385 20.9521 20.9521 21.1254 21.1254 21.2401 21.2401 27.7990 27.7990 27.8782 27.8782 k = 0.3333 0.5774 0.1339 ( 981 PWs) bands (ev): -40.6326 -40.6326 -16.6408 -16.6408 -14.2664 -14.2664 -14.1298 -14.1298 10.9045 10.9045 11.0168 11.0168 12.0945 12.0945 16.4562 16.4562 16.4979 16.4979 20.9829 20.9829 21.2357 21.2357 21.3468 21.3468 27.7353 27.7353 27.8152 27.8152 k = 0.3333 0.5774 0.1435 ( 981 PWs) bands (ev): -40.6317 -40.6317 -16.6425 -16.6425 -14.2646 -14.2646 -14.1368 -14.1368 10.8800 10.8800 10.9892 10.9892 12.1524 12.1524 16.4155 16.4155 16.4575 16.4575 21.0156 21.0156 21.3500 21.3500 21.4577 21.4577 27.6696 27.6696 27.7501 27.7501 k = 0.3333 0.5774 0.1530 ( 987 PWs) bands (ev): -40.6311 -40.6311 -16.6444 -16.6444 -14.2628 -14.2628 -14.1442 -14.1442 10.8544 10.8544 10.9602 10.9602 12.2135 12.2135 16.3751 16.3751 16.4176 16.4176 21.0502 21.0502 21.4678 21.4678 21.5722 21.5722 27.6024 27.6024 27.6834 27.6834 k = 0.3333 0.5774 0.1626 ( 981 PWs) bands (ev): -40.6300 -40.6300 -16.6462 -16.6462 -14.2608 -14.2608 -14.1517 -14.1517 10.8277 10.8277 10.9300 10.9300 12.2777 12.2777 16.3353 16.3353 16.3785 16.3785 21.0866 21.0866 21.5885 21.5885 21.6899 21.6899 27.5339 27.5339 27.6153 27.6153 k = 0.3333 0.5774 0.1722 ( 981 PWs) bands (ev): -40.6291 -40.6291 -16.6482 -16.6482 -14.2588 -14.2588 -14.1595 -14.1595 10.8000 10.8000 10.8988 10.8988 12.3448 12.3448 16.2963 16.2963 16.3404 16.3404 21.1248 21.1248 21.7118 21.7118 21.8102 21.8102 27.4644 27.4644 27.5461 27.5461 k = 0.3333 0.5774 0.1817 ( 981 PWs) bands (ev): -40.6281 -40.6281 -16.6503 -16.6503 -14.2567 -14.2567 -14.1676 -14.1676 10.7714 10.7714 10.8666 10.8666 12.4145 12.4145 16.2584 16.2584 16.3035 16.3035 21.1647 21.1647 21.8373 21.8373 21.9328 21.9328 27.3943 27.3943 27.4761 27.4761 k = 0.3333 0.5774 0.1913 ( 981 PWs) bands (ev): -40.6271 -40.6271 -16.6524 -16.6524 -14.2546 -14.2546 -14.1757 -14.1757 10.7421 10.7421 10.8335 10.8335 12.4868 12.4868 16.2216 16.2216 16.2679 16.2679 21.2064 21.2064 21.9647 21.9647 22.0573 22.0573 27.3237 27.3237 27.4055 27.4055 k = 0.3333 0.5774 0.2009 ( 987 PWs) bands (ev): -40.6263 -40.6263 -16.6547 -16.6547 -14.2524 -14.2524 -14.1842 -14.1842 10.7120 10.7120 10.7997 10.7997 12.5613 12.5613 16.1861 16.1861 16.2336 16.2336 21.2496 21.2496 22.0934 22.0934 22.1833 22.1833 27.2529 27.2529 27.3347 27.3347 k = 0.3333 0.5774 0.2104 ( 987 PWs) bands (ev): -40.6253 -40.6253 -16.6570 -16.6570 -14.2502 -14.2502 -14.1926 -14.1926 10.6815 10.6815 10.7653 10.7653 12.6380 12.6380 16.1519 16.1519 16.2008 16.2008 21.2944 21.2944 22.2233 22.2233 22.3105 22.3105 27.1822 27.1822 27.2637 27.2637 k = 0.3333 0.5774 0.2200 ( 993 PWs) bands (ev): -40.6244 -40.6244 -16.6595 -16.6595 -14.2480 -14.2480 -14.2012 -14.2012 10.6505 10.6505 10.7305 10.7305 12.7165 12.7165 16.1192 16.1192 16.1695 16.1695 21.3406 21.3406 22.3539 22.3539 22.4385 22.4385 27.1116 27.1116 27.1929 27.1929 k = 0.3333 0.5774 0.2296 ( 993 PWs) bands (ev): -40.6234 -40.6234 -16.6619 -16.6619 -14.2457 -14.2457 -14.2097 -14.2097 10.6192 10.6192 10.6954 10.6954 12.7966 12.7966 16.0880 16.0880 16.1397 16.1397 21.3882 21.3882 22.4850 22.4850 22.5671 22.5671 27.0415 27.0415 27.1223 27.1223 k = 0.3333 0.5774 0.2391 ( 993 PWs) bands (ev): -40.6223 -40.6223 -16.6644 -16.6644 -14.2434 -14.2434 -14.2183 -14.2183 10.5877 10.5877 10.6602 10.6602 12.8782 12.8782 16.0583 16.0583 16.1116 16.1116 21.4369 21.4369 22.6163 22.6163 22.6959 22.6959 26.9719 26.9719 27.0521 27.0521 k = 0.3333 0.5774 0.2487 ( 993 PWs) bands (ev): -40.6212 -40.6212 -16.6669 -16.6669 -14.2411 -14.2411 -14.2268 -14.2268 10.5562 10.5562 10.6249 10.6249 12.9609 12.9609 16.0302 16.0302 16.0850 16.0850 21.4867 21.4867 22.7475 22.7475 22.8247 22.8247 26.9031 26.9031 26.9826 26.9826 k = 0.3333 0.5774 0.2583 ( 987 PWs) bands (ev): -40.6200 -40.6200 -16.6693 -16.6693 -14.2388 -14.2388 -14.2351 -14.2351 10.5247 10.5247 10.5897 10.5897 13.0444 13.0444 16.0036 16.0036 16.0599 16.0599 21.5375 21.5375 22.8783 22.8783 22.9531 22.9531 26.8351 26.8351 26.9137 26.9137 k = 0.3333 0.5774 0.2678 ( 987 PWs) bands (ev): -40.6189 -40.6189 -16.6719 -16.6719 -14.2435 -14.2435 -14.2365 -14.2365 10.4934 10.4934 10.5547 10.5547 13.1285 13.1285 15.9785 15.9785 16.0364 16.0364 21.5891 21.5891 23.0084 23.0084 23.0809 23.0809 26.7681 26.7681 26.8457 26.8457 k = 0.3333 0.5774 0.2774 ( 987 PWs) bands (ev): -40.6179 -40.6179 -16.6744 -16.6744 -14.2518 -14.2518 -14.2342 -14.2342 10.4623 10.4623 10.5200 10.5200 13.2129 13.2129 15.9549 15.9549 16.0144 16.0144 21.6413 21.6413 23.1377 23.1377 23.2078 23.2078 26.7022 26.7022 26.7785 26.7785 k = 0.3333 0.5774 0.2870 ( 987 PWs) bands (ev): -40.6168 -40.6168 -16.6770 -16.6770 -14.2599 -14.2599 -14.2320 -14.2320 10.4317 10.4317 10.4859 10.4859 13.2973 13.2973 15.9329 15.9329 15.9938 15.9938 21.6939 21.6939 23.2657 23.2657 23.3336 23.3336 26.6373 26.6373 26.7124 26.7124 k = 0.3333 0.5774 0.2965 ( 987 PWs) bands (ev): -40.6158 -40.6158 -16.6796 -16.6796 -14.2679 -14.2679 -14.2297 -14.2297 10.4015 10.4015 10.4523 10.4523 13.3814 13.3814 15.9123 15.9123 15.9747 15.9747 21.7469 21.7469 23.3923 23.3923 23.4579 23.4579 26.5738 26.5738 26.6473 26.6473 k = 0.3333 0.5774 0.3061 ( 987 PWs) bands (ev): -40.6148 -40.6148 -16.6821 -16.6821 -14.2756 -14.2756 -14.2276 -14.2276 10.3720 10.3720 10.4195 10.4195 13.4648 13.4648 15.8931 15.8931 15.9570 15.9570 21.7999 21.7999 23.5173 23.5173 23.5806 23.5806 26.5114 26.5114 26.5834 26.5834 k = 0.3333 0.5774 0.3156 ( 987 PWs) bands (ev): -40.6138 -40.6138 -16.6846 -16.6846 -14.2831 -14.2831 -14.2254 -14.2254 10.3432 10.3432 10.3876 10.3876 13.5472 13.5472 15.8753 15.8753 15.9405 15.9405 21.8529 21.8529 23.6403 23.6403 23.7014 23.7014 26.4504 26.4504 26.5205 26.5205 k = 0.3333 0.5774 0.3252 ( 981 PWs) bands (ev): -40.6126 -40.6126 -16.6870 -16.6870 -14.2903 -14.2903 -14.2233 -14.2233 10.3153 10.3153 10.3566 10.3566 13.6283 13.6283 15.8589 15.8589 15.9254 15.9254 21.9054 21.9054 23.7612 23.7612 23.8200 23.8200 26.3908 26.3908 26.4589 26.4589 k = 0.3333 0.5774 0.3348 ( 984 PWs) bands (ev): -40.6118 -40.6118 -16.6894 -16.6894 -14.2973 -14.2973 -14.2213 -14.2213 10.2883 10.2883 10.3266 10.3266 13.7078 13.7078 15.8438 15.8438 15.9114 15.9114 21.9574 21.9574 23.8798 23.8798 23.9362 23.9362 26.3325 26.3325 26.3984 26.3984 k = 0.3333 0.5774 0.3443 ( 978 PWs) bands (ev): -40.6107 -40.6107 -16.6917 -16.6917 -14.3040 -14.3040 -14.2193 -14.2193 10.2623 10.2623 10.2978 10.2978 13.7852 13.7852 15.8299 15.8299 15.8987 15.8987 22.0086 22.0086 23.9958 23.9958 24.0498 24.0498 26.2755 26.2755 26.3390 26.3390 k = 0.3333 0.5774 0.3539 ( 978 PWs) bands (ev): -40.6098 -40.6098 -16.6940 -16.6940 -14.3104 -14.3104 -14.2174 -14.2174 10.2374 10.2374 10.2703 10.2703 13.8603 13.8603 15.8172 15.8172 15.8870 15.8870 22.0586 22.0586 24.1091 24.1091 24.1606 24.1606 26.2198 26.2198 26.2807 26.2807 k = 0.3333 0.5774 0.3635 ( 975 PWs) bands (ev): -40.6089 -40.6089 -16.6961 -16.6961 -14.3164 -14.3164 -14.2156 -14.2156 10.2138 10.2138 10.2441 10.2441 13.9326 13.9326 15.8056 15.8056 15.8763 15.8763 22.1074 22.1074 24.2195 24.2195 24.2684 24.2684 26.1653 26.1653 26.2234 26.2234 k = 0.3333 0.5774 0.3730 ( 975 PWs) bands (ev): -40.6081 -40.6081 -16.6982 -16.6982 -14.3221 -14.3221 -14.2140 -14.2140 10.1913 10.1913 10.2194 10.2194 14.0019 14.0019 15.7951 15.7951 15.8667 15.8667 22.1544 22.1544 24.3267 24.3267 24.3729 24.3729 26.1120 26.1120 26.1671 26.1671 k = 0.3333 0.5774 0.3826 ( 975 PWs) bands (ev): -40.6074 -40.6074 -16.7002 -16.7002 -14.3275 -14.3275 -14.2124 -14.2124 10.1703 10.1703 10.1961 10.1961 14.0677 14.0677 15.7857 15.7857 15.8580 15.8580 22.1995 22.1995 24.4307 24.4307 24.4741 24.4741 26.0598 26.0598 26.1117 26.1117 k = 0.3333 0.5774 0.3922 ( 975 PWs) bands (ev): -40.6067 -40.6067 -16.7021 -16.7021 -14.3325 -14.3325 -14.2109 -14.2109 10.1507 10.1507 10.1745 10.1745 14.1297 14.1297 15.7773 15.7773 15.8502 15.8502 22.2425 22.2425 24.5313 24.5313 24.5717 24.5717 26.0085 26.0085 26.0569 26.0569 k = 0.3333 0.5774 0.4017 ( 975 PWs) bands (ev): -40.6061 -40.6061 -16.7038 -16.7038 -14.3371 -14.3371 -14.2095 -14.2095 10.1325 10.1325 10.1545 10.1545 14.1877 14.1877 15.7698 15.7698 15.8432 15.8432 22.2829 22.2829 24.6283 24.6283 24.6657 24.6657 25.9580 25.9580 26.0028 26.0028 k = 0.3333 0.5774 0.4113 ( 981 PWs) bands (ev): -40.6057 -40.6057 -16.7055 -16.7055 -14.3413 -14.3413 -14.2083 -14.2083 10.1160 10.1160 10.1362 10.1362 14.2412 14.2412 15.7632 15.7632 15.8371 15.8371 22.3205 22.3205 24.7218 24.7218 24.7558 24.7558 25.9083 25.9083 25.9492 25.9492 k = 0.3333 0.5774 0.4209 ( 981 PWs) bands (ev): -40.6052 -40.6052 -16.7069 -16.7069 -14.3451 -14.3451 -14.2072 -14.2072 10.1010 10.1010 10.1197 10.1197 14.2899 14.2899 15.7574 15.7574 15.8317 15.8317 22.3550 22.3550 24.8115 24.8115 24.8420 24.8420 25.8590 25.8590 25.8958 25.8958 k = 0.3333 0.5774 0.4304 ( 981 PWs) bands (ev): -40.6047 -40.6047 -16.7082 -16.7082 -14.3484 -14.3484 -14.2061 -14.2061 10.0876 10.0876 10.1050 10.1050 14.3337 14.3337 15.7525 15.7525 15.8270 15.8270 22.3862 22.3862 24.8974 24.8974 24.9242 24.9242 25.8102 25.8102 25.8426 25.8426 k = 0.3333 0.5774 0.4400 ( 984 PWs) bands (ev): -40.6044 -40.6044 -16.7094 -16.7094 -14.3514 -14.3514 -14.2053 -14.2053 10.0760 10.0760 10.0922 10.0922 14.3721 14.3721 15.7483 15.7483 15.8230 15.8230 22.4138 22.4138 24.9794 24.9794 25.0022 25.0022 25.7615 25.7615 25.7895 25.7895 k = 0.3333 0.5774 0.4496 ( 978 PWs) bands (ev): -40.6038 -40.6038 -16.7103 -16.7103 -14.3538 -14.3538 -14.2045 -14.2045 10.0661 10.0661 10.0813 10.0813 14.4051 14.4051 15.7449 15.7449 15.8197 15.8197 22.4376 22.4376 25.0574 25.0574 25.0760 25.0760 25.7131 25.7131 25.7364 25.7364 k = 0.3333 0.5774 0.4591 ( 978 PWs) bands (ev): -40.6036 -40.6036 -16.7111 -16.7111 -14.3558 -14.3558 -14.2038 -14.2038 10.0579 10.0579 10.0723 10.0723 14.4323 14.4323 15.7421 15.7421 15.8170 15.8170 22.4574 22.4574 25.1309 25.1309 25.1450 25.1450 25.6651 25.6651 25.6834 25.6834 k = 0.3333 0.5774 0.4687 ( 975 PWs) bands (ev): -40.6032 -40.6032 -16.7117 -16.7117 -14.3574 -14.3574 -14.2034 -14.2034 10.0516 10.0516 10.0653 10.0653 14.4537 14.4537 15.7400 15.7400 15.8150 15.8150 22.4729 22.4729 25.1993 25.1993 25.2086 25.2086 25.6180 25.6180 25.6311 25.6311 k = 0.3333 0.5774 0.4783 ( 975 PWs) bands (ev): -40.6031 -40.6031 -16.7122 -16.7122 -14.3585 -14.3585 -14.2030 -14.2030 10.0470 10.0470 10.0603 10.0603 14.4691 14.4691 15.7385 15.7385 15.8135 15.8135 22.4842 22.4842 25.2606 25.2606 25.2647 25.2647 25.5739 25.5739 25.5814 25.5814 k = 0.3333 0.5774 0.4878 ( 969 PWs) bands (ev): -40.6028 -40.6028 -16.7124 -16.7124 -14.3591 -14.3591 -14.2027 -14.2027 10.0443 10.0443 10.0573 10.0573 14.4783 14.4783 15.7376 15.7376 15.8126 15.8126 22.4909 22.4909 25.3079 25.3079 25.3091 25.3091 25.5379 25.5379 25.5401 25.5401 k = 0.3333 0.5774 0.4974 ( 960 PWs) bands (ev): -40.6025 -40.6025 -16.7124 -16.7124 -14.3593 -14.3593 -14.2026 -14.2026 10.0434 10.0434 10.0563 10.0563 14.4814 14.4814 15.7373 15.7373 15.8123 15.8123 22.4932 22.4932 25.3257 25.3257 25.3297 25.3297 25.5218 25.5218 25.5225 25.5225 Writing output data file B2Mo.save init_run : 0.14s CPU 0.25s WALL ( 1 calls) electrons : 39.76s CPU 41.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 39.75s CPU 41.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 493 calls) cegterg : 35.78s CPU 36.68s WALL ( 498 calls) Called by sum_band: Called by *egterg: h_psi : 15.57s CPU 16.59s WALL ( 6267 calls) s_psi : 0.61s CPU 0.68s WALL ( 6267 calls) g_psi : 0.01s CPU 0.04s WALL ( 5276 calls) cdiaghg : 20.04s CPU 19.95s WALL ( 5769 calls) cegterg:over : 1.05s CPU 1.14s WALL ( 5276 calls) cegterg:upda : 0.70s CPU 0.75s WALL ( 5276 calls) cegterg:last : 0.37s CPU 0.37s WALL ( 1152 calls) cdiaghg:chol : 0.93s CPU 0.99s WALL ( 5769 calls) cdiaghg:inve : 0.49s CPU 0.50s WALL ( 5769 calls) cdiaghg:para : 1.00s CPU 1.16s WALL ( 11538 calls) Called by h_psi: h_psi:vloc : 13.89s CPU 14.84s WALL ( 6267 calls) h_psi:vnl : 1.68s CPU 1.72s WALL ( 6267 calls) add_vuspsi : 0.81s CPU 0.91s WALL ( 6267 calls) General routines calbec : 0.86s CPU 0.80s WALL ( 6267 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.13s CPU 14.10s WALL ( 454088 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 986 calls) Parallel routines fft_scatter : 7.40s CPU 8.04s WALL ( 454111 calls) PWSCF : 0m48.78s CPU 1m 1.12s WALL This run was terminated on: 13:43:24 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=