Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 8:14 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: ./TePt.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 50 18 5 2272 520 85 Max 51 19 6 2278 541 92 Sum 1801 673 199 81933 19073 3173 bravais-lattice index = 14 lattice parameter (alat) = 7.7687 a.u. unit-cell volume = 537.8978 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.768664 celldm(2)= 1.000000 celldm(3)= 1.324739 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 1.324739 ) 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 0.754866 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Pt 10.00 195.08400 Pt( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6623693 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6623693 ) 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= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0029412 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0029412 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0029412 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0029412 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0029412 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0029412 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0029412 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0029412 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0029412 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0029412 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0029412 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0029412 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0029412 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0029412 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0029412 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0029412 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0029412 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0029412 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0029412 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0029412 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029412 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029412 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029412 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029412 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029412 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029412 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029412 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029412 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029412 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029412 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029412 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029412 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029412 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0029412 k( 77) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0029412 k( 79) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0029412 k( 80) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0029412 k( 81) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0029412 k( 82) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0029412 k( 84) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0029412 k( 85) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0029412 k( 87) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0029412 k( 88) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0029412 k( 89) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0029412 k( 90) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0029412 k( 91) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0029412 k( 94) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0029412 k( 95) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0029412 k( 96) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0029412 k( 97) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0029412 k( 98) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0029412 k( 99) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0029412 k( 100) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0029412 k( 102) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0029412 k( 103) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0029412 k( 104) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0029412 k( 105) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0029412 k( 106) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0029412 k( 108) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0029412 k( 110) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0029412 k( 111) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0029412 k( 112) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0029412 k( 113) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0029412 k( 117) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0029412 k( 119) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0029412 k( 124) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0130149), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0260299), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0390448), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.0520597), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0650747), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.0780896), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.0911045), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.1041194), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.1171344), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.1301493), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.1431642), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.1561792), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.1691941), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.1822090), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.1952240), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2082389), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2212538), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.2342687), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.2472837), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.2602986), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.2733135), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.2863285), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.2993434), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.3123583), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.3253733), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.3383882), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.3514031), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.3644180), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.3774330), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.3774330), wk = 0.0029412 k( 157) = ( 0.0111111 0.0064150 0.3774330), wk = 0.0029412 k( 158) = ( 0.0222222 0.0128300 0.3774330), wk = 0.0029412 k( 159) = ( 0.0333333 0.0192450 0.3774330), wk = 0.0029412 k( 160) = ( 0.0444444 0.0256600 0.3774330), wk = 0.0029412 k( 161) = ( 0.0555556 0.0320750 0.3774330), wk = 0.0029412 k( 162) = ( 0.0666667 0.0384900 0.3774330), wk = 0.0029412 k( 163) = ( 0.0777778 0.0449050 0.3774330), wk = 0.0029412 k( 164) = ( 0.0888889 0.0513200 0.3774330), wk = 0.0029412 k( 165) = ( 0.1000000 0.0577350 0.3774330), wk = 0.0029412 k( 166) = ( 0.1111111 0.0641500 0.3774330), wk = 0.0029412 k( 167) = ( 0.1222222 0.0705650 0.3774330), wk = 0.0029412 k( 168) = ( 0.1333333 0.0769800 0.3774330), wk = 0.0029412 k( 169) = ( 0.1444444 0.0833950 0.3774330), wk = 0.0029412 k( 170) = ( 0.1555556 0.0898100 0.3774330), wk = 0.0029412 k( 171) = ( 0.1666667 0.0962250 0.3774330), wk = 0.0029412 k( 172) = ( 0.1777778 0.1026400 0.3774330), wk = 0.0029412 k( 173) = ( 0.1888889 0.1090551 0.3774330), wk = 0.0029412 k( 174) = ( 0.2000000 0.1154701 0.3774330), wk = 0.0029412 k( 175) = ( 0.2111111 0.1218851 0.3774330), wk = 0.0029412 k( 176) = ( 0.2222222 0.1283001 0.3774330), wk = 0.0029412 k( 177) = ( 0.2333333 0.1347151 0.3774330), wk = 0.0029412 k( 178) = ( 0.2444444 0.1411301 0.3774330), wk = 0.0029412 k( 179) = ( 0.2555556 0.1475451 0.3774330), wk = 0.0029412 k( 180) = ( 0.2666667 0.1539601 0.3774330), wk = 0.0029412 k( 181) = ( 0.2777778 0.1603751 0.3774330), wk = 0.0029412 k( 182) = ( 0.2888889 0.1667901 0.3774330), wk = 0.0029412 k( 183) = ( 0.3000000 0.1732051 0.3774330), wk = 0.0029412 k( 184) = ( 0.3111111 0.1796201 0.3774330), wk = 0.0029412 k( 185) = ( 0.3222222 0.1860351 0.3774330), wk = 0.0029412 k( 186) = ( 0.3333333 0.1924501 0.3774330), wk = 0.0029412 k( 187) = ( 0.3444444 0.1988651 0.3774330), wk = 0.0029412 k( 188) = ( 0.3555556 0.2052801 0.3774330), wk = 0.0029412 k( 189) = ( 0.3666667 0.2116951 0.3774330), wk = 0.0029412 k( 190) = ( 0.3777778 0.2181101 0.3774330), wk = 0.0029412 k( 191) = ( 0.3888889 0.2245251 0.3774330), wk = 0.0029412 k( 192) = ( 0.4000000 0.2309401 0.3774330), wk = 0.0029412 k( 193) = ( 0.4111111 0.2373551 0.3774330), wk = 0.0029412 k( 194) = ( 0.4222222 0.2437701 0.3774330), wk = 0.0029412 k( 195) = ( 0.4333333 0.2501851 0.3774330), wk = 0.0029412 k( 196) = ( 0.4444444 0.2566001 0.3774330), wk = 0.0029412 k( 197) = ( 0.4555556 0.2630151 0.3774330), wk = 0.0029412 k( 198) = ( 0.4666667 0.2694301 0.3774330), wk = 0.0029412 k( 199) = ( 0.4777778 0.2758451 0.3774330), wk = 0.0029412 k( 200) = ( 0.4888889 0.2822601 0.3774330), wk = 0.0029412 k( 201) = ( 0.5000000 0.2886751 0.3774330), wk = 0.0029412 k( 202) = ( 0.5000000 0.2886751 0.3774330), wk = 0.0029412 k( 203) = ( 0.4935897 0.2997780 0.3774330), wk = 0.0029412 k( 204) = ( 0.4871795 0.3108809 0.3774330), wk = 0.0029412 k( 205) = ( 0.4807692 0.3219838 0.3774330), wk = 0.0029412 k( 206) = ( 0.4743590 0.3330867 0.3774330), wk = 0.0029412 k( 207) = ( 0.4679487 0.3441896 0.3774330), wk = 0.0029412 k( 208) = ( 0.4615385 0.3552925 0.3774330), wk = 0.0029412 k( 209) = ( 0.4551282 0.3663954 0.3774330), wk = 0.0029412 k( 210) = ( 0.4487179 0.3774983 0.3774330), wk = 0.0029412 k( 211) = ( 0.4423077 0.3886011 0.3774330), wk = 0.0029412 k( 212) = ( 0.4358974 0.3997040 0.3774330), wk = 0.0029412 k( 213) = ( 0.4294872 0.4108069 0.3774330), wk = 0.0029412 k( 214) = ( 0.4230769 0.4219098 0.3774330), wk = 0.0029412 k( 215) = ( 0.4166667 0.4330127 0.3774330), wk = 0.0029412 k( 216) = ( 0.4102564 0.4441156 0.3774330), wk = 0.0029412 k( 217) = ( 0.4038462 0.4552185 0.3774330), wk = 0.0029412 k( 218) = ( 0.3974359 0.4663214 0.3774330), wk = 0.0029412 k( 219) = ( 0.3910256 0.4774243 0.3774330), wk = 0.0029412 k( 220) = ( 0.3846154 0.4885271 0.3774330), wk = 0.0029412 k( 221) = ( 0.3782051 0.4996300 0.3774330), wk = 0.0029412 k( 222) = ( 0.3717949 0.5107329 0.3774330), wk = 0.0029412 k( 223) = ( 0.3653846 0.5218358 0.3774330), wk = 0.0029412 k( 224) = ( 0.3589744 0.5329387 0.3774330), wk = 0.0029412 k( 225) = ( 0.3525641 0.5440416 0.3774330), wk = 0.0029412 k( 226) = ( 0.3461538 0.5551445 0.3774330), wk = 0.0029412 k( 227) = ( 0.3397436 0.5662474 0.3774330), wk = 0.0029412 k( 228) = ( 0.3333333 0.5773503 0.3774330), wk = 0.0029412 k( 229) = ( 0.3333333 0.5773503 0.3774330), wk = 0.0029412 k( 230) = ( 0.3267974 0.5660297 0.3774330), wk = 0.0029412 k( 231) = ( 0.3202614 0.5547091 0.3774330), wk = 0.0029412 k( 232) = ( 0.3137255 0.5433885 0.3774330), wk = 0.0029412 k( 233) = ( 0.3071895 0.5320679 0.3774330), wk = 0.0029412 k( 234) = ( 0.3006536 0.5207473 0.3774330), wk = 0.0029412 k( 235) = ( 0.2941177 0.5094267 0.3774330), wk = 0.0029412 k( 236) = ( 0.2875817 0.4981061 0.3774330), wk = 0.0029412 k( 237) = ( 0.2810457 0.4867855 0.3774330), wk = 0.0029412 k( 238) = ( 0.2745098 0.4754649 0.3774330), wk = 0.0029412 k( 239) = ( 0.2679739 0.4641443 0.3774330), wk = 0.0029412 k( 240) = ( 0.2614379 0.4528237 0.3774330), wk = 0.0029412 k( 241) = ( 0.2549020 0.4415031 0.3774330), wk = 0.0029412 k( 242) = ( 0.2483660 0.4301825 0.3774330), wk = 0.0029412 k( 243) = ( 0.2418301 0.4188620 0.3774330), wk = 0.0029412 k( 244) = ( 0.2352941 0.4075414 0.3774330), wk = 0.0029412 k( 245) = ( 0.2287582 0.3962208 0.3774330), wk = 0.0029412 k( 246) = ( 0.2222222 0.3849002 0.3774330), wk = 0.0029412 k( 247) = ( 0.2156863 0.3735796 0.3774330), wk = 0.0029412 k( 248) = ( 0.2091503 0.3622590 0.3774330), wk = 0.0029412 k( 249) = ( 0.2026144 0.3509384 0.3774330), wk = 0.0029412 k( 250) = ( 0.1960784 0.3396178 0.3774330), wk = 0.0029412 k( 251) = ( 0.1895425 0.3282972 0.3774330), wk = 0.0029412 k( 252) = ( 0.1830065 0.3169766 0.3774330), wk = 0.0029412 k( 253) = ( 0.1764706 0.3056560 0.3774330), wk = 0.0029412 k( 254) = ( 0.1699346 0.2943354 0.3774330), wk = 0.0029412 k( 255) = ( 0.1633987 0.2830148 0.3774330), wk = 0.0029412 k( 256) = ( 0.1568627 0.2716943 0.3774330), wk = 0.0029412 k( 257) = ( 0.1503268 0.2603737 0.3774330), wk = 0.0029412 k( 258) = ( 0.1437908 0.2490531 0.3774330), wk = 0.0029412 k( 259) = ( 0.1372549 0.2377325 0.3774330), wk = 0.0029412 k( 260) = ( 0.1307190 0.2264119 0.3774330), wk = 0.0029412 k( 261) = ( 0.1241830 0.2150913 0.3774330), wk = 0.0029412 k( 262) = ( 0.1176471 0.2037707 0.3774330), wk = 0.0029412 k( 263) = ( 0.1111111 0.1924501 0.3774330), wk = 0.0029412 k( 264) = ( 0.1045752 0.1811295 0.3774330), wk = 0.0029412 k( 265) = ( 0.0980392 0.1698089 0.3774330), wk = 0.0029412 k( 266) = ( 0.0915033 0.1584883 0.3774330), wk = 0.0029412 k( 267) = ( 0.0849673 0.1471677 0.3774330), wk = 0.0029412 k( 268) = ( 0.0784314 0.1358471 0.3774330), wk = 0.0029412 k( 269) = ( 0.0718954 0.1245265 0.3774330), wk = 0.0029412 k( 270) = ( 0.0653595 0.1132059 0.3774330), wk = 0.0029412 k( 271) = ( 0.0588235 0.1018853 0.3774330), wk = 0.0029412 k( 272) = ( 0.0522876 0.0905647 0.3774330), wk = 0.0029412 k( 273) = ( 0.0457516 0.0792441 0.3774330), wk = 0.0029412 k( 274) = ( 0.0392157 0.0679236 0.3774330), wk = 0.0029412 k( 275) = ( 0.0326797 0.0566030 0.3774330), wk = 0.0029412 k( 276) = ( 0.0261438 0.0452824 0.3774330), wk = 0.0029412 k( 277) = ( 0.0196078 0.0339618 0.3774330), wk = 0.0029412 k( 278) = ( 0.0130719 0.0226412 0.3774330), wk = 0.0029412 k( 279) = ( 0.0065359 0.0113206 0.3774330), wk = 0.0029412 k( 280) = ( 0.0000000 0.0000000 0.3774330), wk = 0.0029412 k( 281) = ( 0.5000000 0.2886751 0.3774330), wk = 0.0029412 k( 282) = ( 0.5000000 0.2886751 0.3644180), wk = 0.0029412 k( 283) = ( 0.5000000 0.2886751 0.3514031), wk = 0.0029412 k( 284) = ( 0.5000000 0.2886751 0.3383882), wk = 0.0029412 k( 285) = ( 0.5000000 0.2886751 0.3253733), wk = 0.0029412 k( 286) = ( 0.5000000 0.2886751 0.3123583), wk = 0.0029412 k( 287) = ( 0.5000000 0.2886751 0.2993434), wk = 0.0029412 k( 288) = ( 0.5000000 0.2886751 0.2863285), wk = 0.0029412 k( 289) = ( 0.5000000 0.2886751 0.2733135), wk = 0.0029412 k( 290) = ( 0.5000000 0.2886751 0.2602986), wk = 0.0029412 k( 291) = ( 0.5000000 0.2886751 0.2472837), wk = 0.0029412 k( 292) = ( 0.5000000 0.2886751 0.2342687), wk = 0.0029412 k( 293) = ( 0.5000000 0.2886751 0.2212538), wk = 0.0029412 k( 294) = ( 0.5000000 0.2886751 0.2082389), wk = 0.0029412 k( 295) = ( 0.5000000 0.2886751 0.1952240), wk = 0.0029412 k( 296) = ( 0.5000000 0.2886751 0.1822090), wk = 0.0029412 k( 297) = ( 0.5000000 0.2886751 0.1691941), wk = 0.0029412 k( 298) = ( 0.5000000 0.2886751 0.1561792), wk = 0.0029412 k( 299) = ( 0.5000000 0.2886751 0.1431642), wk = 0.0029412 k( 300) = ( 0.5000000 0.2886751 0.1301493), wk = 0.0029412 k( 301) = ( 0.5000000 0.2886751 0.1171344), wk = 0.0029412 k( 302) = ( 0.5000000 0.2886751 0.1041194), wk = 0.0029412 k( 303) = ( 0.5000000 0.2886751 0.0911045), wk = 0.0029412 k( 304) = ( 0.5000000 0.2886751 0.0780896), wk = 0.0029412 k( 305) = ( 0.5000000 0.2886751 0.0650747), wk = 0.0029412 k( 306) = ( 0.5000000 0.2886751 0.0520597), wk = 0.0029412 k( 307) = ( 0.5000000 0.2886751 0.0390448), wk = 0.0029412 k( 308) = ( 0.5000000 0.2886751 0.0260299), wk = 0.0029412 k( 309) = ( 0.5000000 0.2886751 0.0130149), wk = 0.0029412 k( 310) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029412 k( 311) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029412 k( 312) = ( 0.3333333 0.5773503 0.0130149), wk = 0.0029412 k( 313) = ( 0.3333333 0.5773503 0.0260299), wk = 0.0029412 k( 314) = ( 0.3333333 0.5773503 0.0390448), wk = 0.0029412 k( 315) = ( 0.3333333 0.5773503 0.0520597), wk = 0.0029412 k( 316) = ( 0.3333333 0.5773503 0.0650747), wk = 0.0029412 k( 317) = ( 0.3333333 0.5773503 0.0780896), wk = 0.0029412 k( 318) = ( 0.3333333 0.5773503 0.0911045), wk = 0.0029412 k( 319) = ( 0.3333333 0.5773503 0.1041194), wk = 0.0029412 k( 320) = ( 0.3333333 0.5773503 0.1171344), wk = 0.0029412 k( 321) = ( 0.3333333 0.5773503 0.1301493), wk = 0.0029412 k( 322) = ( 0.3333333 0.5773503 0.1431642), wk = 0.0029412 k( 323) = ( 0.3333333 0.5773503 0.1561792), wk = 0.0029412 k( 324) = ( 0.3333333 0.5773503 0.1691941), wk = 0.0029412 k( 325) = ( 0.3333333 0.5773503 0.1822090), wk = 0.0029412 k( 326) = ( 0.3333333 0.5773503 0.1952240), wk = 0.0029412 k( 327) = ( 0.3333333 0.5773503 0.2082389), wk = 0.0029412 k( 328) = ( 0.3333333 0.5773503 0.2212538), wk = 0.0029412 k( 329) = ( 0.3333333 0.5773503 0.2342687), wk = 0.0029412 k( 330) = ( 0.3333333 0.5773503 0.2472837), wk = 0.0029412 k( 331) = ( 0.3333333 0.5773503 0.2602986), wk = 0.0029412 k( 332) = ( 0.3333333 0.5773503 0.2733135), wk = 0.0029412 k( 333) = ( 0.3333333 0.5773503 0.2863285), wk = 0.0029412 k( 334) = ( 0.3333333 0.5773503 0.2993434), wk = 0.0029412 k( 335) = ( 0.3333333 0.5773503 0.3123583), wk = 0.0029412 k( 336) = ( 0.3333333 0.5773503 0.3253733), wk = 0.0029412 k( 337) = ( 0.3333333 0.5773503 0.3383882), wk = 0.0029412 k( 338) = ( 0.3333333 0.5773503 0.3514031), wk = 0.0029412 k( 339) = ( 0.3333333 0.5773503 0.3644180), wk = 0.0029412 k( 340) = ( 0.3333333 0.5773503 0.3774330), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0111111 0.0000000 -0.0000000), wk = 0.0029412 k( 3) = ( 0.0222222 0.0000000 -0.0000000), wk = 0.0029412 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0029412 k( 5) = ( 0.0444444 0.0000000 -0.0000000), wk = 0.0029412 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0029412 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0029412 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0029412 k( 9) = ( 0.0888889 0.0000000 -0.0000000), wk = 0.0029412 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0029412 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0029412 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0029412 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0029412 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0029412 k( 16) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0029412 k( 17) = ( 0.1777778 0.0000000 -0.0000000), wk = 0.0029412 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0029412 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0029412 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0029412 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0029412 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0029412 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0029412 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0029412 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0029412 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0029412 k( 28) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0029412 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0029412 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0029412 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0029412 k( 32) = ( 0.3444444 0.0000000 -0.0000000), wk = 0.0029412 k( 33) = ( 0.3555556 0.0000000 -0.0000000), wk = 0.0029412 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0029412 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0029412 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0029412 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0029412 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0029412 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0029412 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0029412 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0029412 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0029412 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0029412 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0029412 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0029412 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0029412 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0029412 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0029412 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0029412 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0029412 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0029412 k( 54) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0029412 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0029412 k( 56) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0029412 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0029412 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0029412 k( 59) = ( 0.4230769 0.1538462 -0.0000000), wk = 0.0029412 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029412 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0029412 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0029412 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0029412 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0029412 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0029412 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0029412 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0029412 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0029412 k( 69) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0029412 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0029412 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0029412 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0029412 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 75) = ( 0.3267974 0.3267974 -0.0000000), wk = 0.0029412 k( 76) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0029412 k( 77) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0029412 k( 78) = ( 0.3071895 0.3071895 0.0000000), wk = 0.0029412 k( 79) = ( 0.3006536 0.3006536 0.0000000), wk = 0.0029412 k( 80) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0029412 k( 81) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0029412 k( 82) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0029412 k( 83) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0029412 k( 84) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0029412 k( 85) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0029412 k( 86) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0029412 k( 87) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0029412 k( 88) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0029412 k( 89) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0029412 k( 90) = ( 0.2287582 0.2287582 0.0000000), wk = 0.0029412 k( 91) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029412 k( 92) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0029412 k( 93) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0029412 k( 94) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0029412 k( 95) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0029412 k( 96) = ( 0.1895425 0.1895425 -0.0000000), wk = 0.0029412 k( 97) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0029412 k( 98) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0029412 k( 99) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0029412 k( 100) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0029412 k( 101) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0029412 k( 102) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0029412 k( 103) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0029412 k( 104) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0029412 k( 105) = ( 0.1307190 0.1307190 0.0000000), wk = 0.0029412 k( 106) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0029412 k( 107) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0029412 k( 108) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029412 k( 109) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0029412 k( 110) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0029412 k( 111) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0029412 k( 112) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0029412 k( 113) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0029412 k( 114) = ( 0.0718954 0.0718954 -0.0000000), wk = 0.0029412 k( 115) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0029412 k( 116) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0029412 k( 117) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0029412 k( 118) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0029412 k( 119) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0029412 k( 120) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0029412 k( 121) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0029412 k( 122) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0029412 k( 123) = ( 0.0130719 0.0130719 -0.0000000), wk = 0.0029412 k( 124) = ( 0.0065359 0.0065360 -0.0000000), wk = 0.0029412 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 127) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0029412 k( 128) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0029412 k( 129) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0029412 k( 130) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0029412 k( 131) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0029412 k( 132) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0029412 k( 133) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0029412 k( 134) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0029412 k( 137) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0029412 k( 138) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0029412 k( 139) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0029412 k( 140) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0029412 k( 141) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0029412 k( 142) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0029412 k( 143) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0029412 k( 144) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0029412 k( 145) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0029412 k( 146) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0029412 k( 147) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0029412 k( 148) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0029412 k( 149) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0029412 k( 150) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0029412 k( 151) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0029412 k( 152) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0029412 k( 153) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0029412 k( 154) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0029412 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 157) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0029412 k( 158) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0029412 k( 159) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0029412 k( 160) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0029412 k( 161) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0029412 k( 162) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0029412 k( 163) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0029412 k( 164) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0029412 k( 165) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0029412 k( 166) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0029412 k( 167) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0029412 k( 168) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0029412 k( 169) = ( 0.1444444 -0.0000000 0.5000000), wk = 0.0029412 k( 170) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0029412 k( 171) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0029412 k( 172) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0029412 k( 173) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0029412 k( 174) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0029412 k( 175) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0029412 k( 176) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0029412 k( 177) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0029412 k( 178) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0029412 k( 179) = ( 0.2555556 -0.0000000 0.5000000), wk = 0.0029412 k( 180) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0029412 k( 181) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0029412 k( 182) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0029412 k( 183) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0029412 k( 184) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0029412 k( 185) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0029412 k( 186) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0029412 k( 187) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0029412 k( 188) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0029412 k( 189) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0029412 k( 190) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0029412 k( 191) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0029412 k( 192) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0029412 k( 193) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0029412 k( 194) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0029412 k( 195) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0029412 k( 196) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0029412 k( 197) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0029412 k( 198) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0029412 k( 199) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0029412 k( 200) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0029412 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 203) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029412 k( 204) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029412 k( 205) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029412 k( 206) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0029412 k( 207) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029412 k( 208) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029412 k( 209) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029412 k( 210) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029412 k( 211) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029412 k( 212) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029412 k( 213) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029412 k( 214) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0029412 k( 215) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029412 k( 216) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029412 k( 217) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029412 k( 218) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029412 k( 219) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029412 k( 220) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029412 k( 221) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029412 k( 222) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029412 k( 223) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029412 k( 224) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029412 k( 225) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029412 k( 226) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029412 k( 227) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029412 k( 228) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 229) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 k( 230) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0029412 k( 231) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0029412 k( 232) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0029412 k( 233) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0029412 k( 234) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0029412 k( 235) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0029412 k( 236) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0029412 k( 237) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0029412 k( 238) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0029412 k( 239) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0029412 k( 240) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0029412 k( 241) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0029412 k( 242) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0029412 k( 243) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0029412 k( 244) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0029412 k( 245) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0029412 k( 246) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029412 k( 247) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0029412 k( 248) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0029412 k( 249) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0029412 k( 250) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0029412 k( 251) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0029412 k( 252) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0029412 k( 253) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0029412 k( 254) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0029412 k( 255) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0029412 k( 256) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0029412 k( 257) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0029412 k( 258) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0029412 k( 259) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0029412 k( 260) = ( 0.1307190 0.1307190 0.5000000), wk = 0.0029412 k( 261) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0029412 k( 262) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0029412 k( 263) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029412 k( 264) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0029412 k( 265) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0029412 k( 266) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0029412 k( 267) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0029412 k( 268) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0029412 k( 269) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0029412 k( 270) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0029412 k( 271) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0029412 k( 272) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0029412 k( 273) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0029412 k( 274) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0029412 k( 275) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0029412 k( 276) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0029412 k( 277) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0029412 k( 278) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0029412 k( 279) = ( 0.0065359 0.0065360 0.5000000), wk = 0.0029412 k( 280) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 281) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029412 k( 282) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0029412 k( 283) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0029412 k( 284) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0029412 k( 285) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0029412 k( 286) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0029412 k( 287) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0029412 k( 288) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0029412 k( 289) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0029412 k( 290) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0029412 k( 291) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0029412 k( 292) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0029412 k( 293) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0029412 k( 294) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0029412 k( 295) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0029412 k( 296) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0029412 k( 297) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0029412 k( 298) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0029412 k( 299) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0029412 k( 300) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0029412 k( 301) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0029412 k( 302) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0029412 k( 303) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0029412 k( 304) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0029412 k( 305) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0029412 k( 306) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0029412 k( 307) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0029412 k( 308) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0029412 k( 309) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0029412 k( 310) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029412 k( 311) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029412 k( 312) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0029412 k( 313) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0029412 k( 314) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0029412 k( 315) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0029412 k( 316) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0029412 k( 317) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0029412 k( 318) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0029412 k( 319) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0029412 k( 320) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0029412 k( 321) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0029412 k( 322) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0029412 k( 323) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0029412 k( 324) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0029412 k( 325) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0029412 k( 326) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0029412 k( 327) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0029412 k( 328) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0029412 k( 329) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0029412 k( 330) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0029412 k( 331) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0029412 k( 332) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0029412 k( 333) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0029412 k( 334) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0029412 k( 335) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0029412 k( 336) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0029412 k( 337) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0029412 k( 338) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0029412 k( 339) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0029412 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029412 Dense grid: 81933 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 19073 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 142, 40) NL pseudopotentials 0.15 Mb ( 71, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2278) G-vector shells 0.01 Mb ( 1119) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 142, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.17 Mb ( 136, 2, 40) The potential is recalculated from file : ./TePt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.1 secs Computing kpt #: 12 total cpu time spent up to now is 5.4 secs Computing kpt #: 13 total cpu time spent up to now is 5.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.0 secs Computing kpt #: 15 total cpu time spent up to now is 6.3 secs Computing kpt #: 16 total cpu time spent up to now is 6.6 secs Computing kpt #: 17 total cpu time spent up to now is 6.9 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.3 secs Computing kpt #: 22 total cpu time spent up to now is 8.6 secs Computing kpt #: 23 total cpu time spent up to now is 9.0 secs Computing kpt #: 24 total cpu time spent up to now is 9.3 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 10.0 secs Computing kpt #: 27 total cpu time spent up to now is 10.3 secs Computing kpt #: 28 total cpu time spent up to now is 10.7 secs Computing kpt #: 29 total cpu time spent up to now is 11.1 secs Computing kpt #: 30 total cpu time spent up to now is 11.4 secs Computing kpt #: 31 total cpu time spent up to now is 11.8 secs Computing kpt #: 32 total cpu time spent up to now is 12.2 secs Computing kpt #: 33 total cpu time spent up to now is 12.6 secs Computing kpt #: 34 total cpu time spent up to now is 13.0 secs Computing kpt #: 35 total cpu time spent up to now is 13.4 secs Computing kpt #: 36 total cpu time spent up to now is 13.8 secs Computing kpt #: 37 total cpu time spent up to now is 14.2 secs Computing kpt #: 38 total cpu time spent up to now is 14.6 secs Computing kpt #: 39 total cpu time spent up to now is 15.0 secs Computing kpt #: 40 total cpu time spent up to now is 15.3 secs Computing kpt #: 41 total cpu time spent up to now is 15.7 secs Computing kpt #: 42 total cpu time spent up to now is 16.1 secs Computing kpt #: 43 total cpu time spent up to now is 16.4 secs Computing kpt #: 44 total cpu time spent up to now is 16.7 secs Computing kpt #: 45 total cpu time spent up to now is 17.1 secs Computing kpt #: 46 total cpu time spent up to now is 17.4 secs Computing kpt #: 47 total cpu time spent up to now is 17.7 secs Computing kpt #: 48 total cpu time spent up to now is 18.0 secs Computing kpt #: 49 total cpu time spent up to now is 18.3 secs Computing kpt #: 50 total cpu time spent up to now is 18.6 secs Computing kpt #: 51 total cpu time spent up to now is 19.0 secs Computing kpt #: 52 total cpu time spent up to now is 19.3 secs Computing kpt #: 53 total cpu time spent up to now is 19.6 secs Computing kpt #: 54 total cpu time spent up to now is 19.9 secs Computing kpt #: 55 total cpu time spent up to now is 20.2 secs Computing kpt #: 56 total cpu time spent up to now is 20.5 secs Computing kpt #: 57 total cpu time spent up to now is 20.7 secs Computing kpt #: 58 total cpu time spent up to now is 21.0 secs Computing kpt #: 59 total cpu time spent up to now is 21.3 secs Computing kpt #: 60 total cpu time spent up to now is 21.6 secs Computing kpt #: 61 total cpu time spent up to now is 21.8 secs Computing kpt #: 62 total cpu time spent up to now is 22.1 secs Computing kpt #: 63 total cpu time spent up to now is 22.4 secs Computing kpt #: 64 total cpu time spent up to now is 22.6 secs Computing kpt #: 65 total cpu time spent up to now is 22.9 secs Computing kpt #: 66 total cpu time spent up to now is 23.1 secs Computing kpt #: 67 total cpu time spent up to now is 23.4 secs Computing kpt #: 68 total cpu time spent up to now is 23.7 secs Computing kpt #: 69 total cpu time spent up to now is 23.9 secs Computing kpt #: 70 total cpu time spent up to now is 24.2 secs Computing kpt #: 71 total cpu time spent up to now is 24.4 secs Computing kpt #: 72 total cpu time spent up to now is 24.7 secs Computing kpt #: 73 total cpu time spent up to now is 24.9 secs Computing kpt #: 74 total cpu time spent up to now is 25.1 secs Computing kpt #: 75 total cpu time spent up to now is 25.4 secs Computing kpt #: 76 total cpu time spent up to now is 25.6 secs Computing kpt #: 77 total cpu time spent up to now is 25.9 secs Computing kpt #: 78 total cpu time spent up to now is 26.1 secs Computing kpt #: 79 total cpu time spent up to now is 26.4 secs Computing kpt #: 80 total cpu time spent up to now is 26.6 secs Computing kpt #: 81 total cpu time spent up to now is 26.9 secs Computing kpt #: 82 total cpu time spent up to now is 27.1 secs Computing kpt #: 83 total cpu time spent up to now is 27.4 secs Computing kpt #: 84 total cpu time spent up to now is 27.6 secs Computing kpt #: 85 total cpu time spent up to now is 27.9 secs Computing kpt #: 86 total cpu time spent up to now is 28.2 secs Computing kpt #: 87 total cpu time spent up to now is 28.4 secs Computing kpt #: 88 total cpu time spent up to now is 28.7 secs Computing kpt #: 89 total cpu time spent up to now is 29.0 secs Computing kpt #: 90 total cpu time spent up to now is 29.2 secs Computing kpt #: 91 total cpu time spent up to now is 29.5 secs Computing kpt #: 92 total cpu time spent up to now is 29.8 secs Computing kpt #: 93 total cpu time spent up to now is 30.1 secs Computing kpt #: 94 total cpu time spent up to now is 30.4 secs Computing kpt #: 95 total cpu time spent up to now is 30.8 secs Computing kpt #: 96 total cpu time spent up to now is 31.1 secs Computing kpt #: 97 total cpu time spent up to now is 31.4 secs Computing kpt #: 98 total cpu time spent up to now is 31.8 secs Computing kpt #: 99 total cpu time spent up to now is 32.1 secs Computing kpt #: 100 total cpu time spent up to now is 32.4 secs Computing kpt #: 101 total cpu time spent up to now is 32.8 secs Computing kpt #: 102 total cpu time spent up to now is 33.1 secs Computing kpt #: 103 total cpu time spent up to now is 33.5 secs Computing kpt #: 104 total cpu time spent up to now is 33.8 secs Computing kpt #: 105 total cpu time spent up to now is 34.2 secs Computing kpt #: 106 total cpu time spent up to now is 34.5 secs Computing kpt #: 107 total cpu time spent up to now is 34.9 secs Computing kpt #: 108 total cpu time spent up to now is 35.2 secs Computing kpt #: 109 total cpu time spent up to now is 35.6 secs Computing kpt #: 110 total cpu time spent up to now is 35.9 secs Computing kpt #: 111 total cpu time spent up to now is 36.2 secs Computing kpt #: 112 total cpu time spent up to now is 36.5 secs Computing kpt #: 113 total cpu time spent up to now is 36.8 secs Computing kpt #: 114 total cpu time spent up to now is 37.0 secs Computing kpt #: 115 total cpu time spent up to now is 37.3 secs Computing kpt #: 116 total cpu time spent up to now is 37.6 secs Computing kpt #: 117 total cpu time spent up to now is 37.9 secs Computing kpt #: 118 total cpu time spent up to now is 38.2 secs Computing kpt #: 119 total cpu time spent up to now is 38.4 secs Computing kpt #: 120 total cpu time spent up to now is 38.7 secs Computing kpt #: 121 total cpu time spent up to now is 38.9 secs Computing kpt #: 122 total cpu time spent up to now is 39.2 secs Computing kpt #: 123 total cpu time spent up to now is 39.5 secs Computing kpt #: 124 total cpu time spent up to now is 39.7 secs Computing kpt #: 125 total cpu time spent up to now is 40.0 secs Computing kpt #: 126 total cpu time spent up to now is 40.2 secs Computing kpt #: 127 total cpu time spent up to now is 40.5 secs Computing kpt #: 128 total cpu time spent up to now is 40.9 secs Computing kpt #: 129 total cpu time spent up to now is 41.2 secs Computing kpt #: 130 total cpu time spent up to now is 41.4 secs Computing kpt #: 131 total cpu time spent up to now is 41.7 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.2 secs Computing kpt #: 134 total cpu time spent up to now is 42.5 secs Computing kpt #: 135 total cpu time spent up to now is 42.7 secs Computing kpt #: 136 total cpu time spent up to now is 43.0 secs Computing kpt #: 137 total cpu time spent up to now is 43.3 secs Computing kpt #: 138 total cpu time spent up to now is 43.6 secs Computing kpt #: 139 total cpu time spent up to now is 43.8 secs Computing kpt #: 140 total cpu time spent up to now is 44.1 secs Computing kpt #: 141 total cpu time spent up to now is 44.4 secs Computing kpt #: 142 total cpu time spent up to now is 44.7 secs Computing kpt #: 143 total cpu time spent up to now is 45.0 secs Computing kpt #: 144 total cpu time spent up to now is 45.3 secs Computing kpt #: 145 total cpu time spent up to now is 45.6 secs Computing kpt #: 146 total cpu time spent up to now is 45.9 secs Computing kpt #: 147 total cpu time spent up to now is 46.2 secs Computing kpt #: 148 total cpu time spent up to now is 46.5 secs Computing kpt #: 149 total cpu time spent up to now is 46.8 secs Computing kpt #: 150 total cpu time spent up to now is 47.1 secs Computing kpt #: 151 total cpu time spent up to now is 47.5 secs Computing kpt #: 152 total cpu time spent up to now is 47.8 secs Computing kpt #: 153 total cpu time spent up to now is 48.1 secs Computing kpt #: 154 total cpu time spent up to now is 48.5 secs Computing kpt #: 155 total cpu time spent up to now is 48.8 secs Computing kpt #: 156 total cpu time spent up to now is 49.1 secs Computing kpt #: 157 total cpu time spent up to now is 49.5 secs Computing kpt #: 158 total cpu time spent up to now is 49.8 secs Computing kpt #: 159 total cpu time spent up to now is 50.2 secs Computing kpt #: 160 total cpu time spent up to now is 50.5 secs Computing kpt #: 161 total cpu time spent up to now is 50.9 secs Computing kpt #: 162 total cpu time spent up to now is 51.2 secs Computing kpt #: 163 total cpu time spent up to now is 51.5 secs Computing kpt #: 164 total cpu time spent up to now is 51.9 secs Computing kpt #: 165 total cpu time spent up to now is 52.2 secs Computing kpt #: 166 total cpu time spent up to now is 52.6 secs Computing kpt #: 167 total cpu time spent up to now is 52.9 secs Computing kpt #: 168 total cpu time spent up to now is 53.2 secs Computing kpt #: 169 total cpu time spent up to now is 53.5 secs Computing kpt #: 170 total cpu time spent up to now is 53.8 secs Computing kpt #: 171 total cpu time spent up to now is 54.1 secs Computing kpt #: 172 total cpu time spent up to now is 54.4 secs Computing kpt #: 173 total cpu time spent up to now is 54.7 secs Computing kpt #: 174 total cpu time spent up to now is 55.0 secs Computing kpt #: 175 total cpu time spent up to now is 55.3 secs Computing kpt #: 176 total cpu time spent up to now is 55.6 secs Computing kpt #: 177 total cpu time spent up to now is 55.8 secs Computing kpt #: 178 total cpu time spent up to now is 56.1 secs Computing kpt #: 179 total cpu time spent up to now is 56.4 secs Computing kpt #: 180 total cpu time spent up to now is 56.7 secs Computing kpt #: 181 total cpu time spent up to now is 56.9 secs Computing kpt #: 182 total cpu time spent up to now is 57.2 secs Computing kpt #: 183 total cpu time spent up to now is 57.5 secs Computing kpt #: 184 total cpu time spent up to now is 57.7 secs Computing kpt #: 185 total cpu time spent up to now is 58.0 secs Computing kpt #: 186 total cpu time spent up to now is 58.2 secs Computing kpt #: 187 total cpu time spent up to now is 58.5 secs Computing kpt #: 188 total cpu time spent up to now is 58.7 secs Computing kpt #: 189 total cpu time spent up to now is 59.0 secs Computing kpt #: 190 total cpu time spent up to now is 59.2 secs Computing kpt #: 191 total cpu time spent up to now is 59.5 secs Computing kpt #: 192 total cpu time spent up to now is 59.7 secs Computing kpt #: 193 total cpu time spent up to now is 59.9 secs Computing kpt #: 194 total cpu time spent up to now is 60.2 secs Computing kpt #: 195 total cpu time spent up to now is 60.4 secs Computing kpt #: 196 total cpu time spent up to now is 60.7 secs Computing kpt #: 197 total cpu time spent up to now is 60.9 secs Computing kpt #: 198 total cpu time spent up to now is 61.1 secs Computing kpt #: 199 total cpu time spent up to now is 61.4 secs Computing kpt #: 200 total cpu time spent up to now is 61.6 secs Computing kpt #: 201 total cpu time spent up to now is 61.8 secs Computing kpt #: 202 total cpu time spent up to now is 62.1 secs Computing kpt #: 203 total cpu time spent up to now is 62.3 secs Computing kpt #: 204 total cpu time spent up to now is 62.6 secs Computing kpt #: 205 total cpu time spent up to now is 62.8 secs Computing kpt #: 206 total cpu time spent up to now is 63.0 secs Computing kpt #: 207 total cpu time spent up to now is 63.3 secs Computing kpt #: 208 total cpu time spent up to now is 63.5 secs Computing kpt #: 209 total cpu time spent up to now is 63.8 secs Computing kpt #: 210 total cpu time spent up to now is 64.0 secs Computing kpt #: 211 total cpu time spent up to now is 64.3 secs Computing kpt #: 212 total cpu time spent up to now is 64.5 secs Computing kpt #: 213 total cpu time spent up to now is 64.8 secs Computing kpt #: 214 total cpu time spent up to now is 65.0 secs Computing kpt #: 215 total cpu time spent up to now is 65.3 secs Computing kpt #: 216 total cpu time spent up to now is 65.6 secs Computing kpt #: 217 total cpu time spent up to now is 65.9 secs Computing kpt #: 218 total cpu time spent up to now is 66.1 secs Computing kpt #: 219 total cpu time spent up to now is 66.4 secs Computing kpt #: 220 total cpu time spent up to now is 66.7 secs Computing kpt #: 221 total cpu time spent up to now is 67.1 secs Computing kpt #: 222 total cpu time spent up to now is 67.4 secs Computing kpt #: 223 total cpu time spent up to now is 67.7 secs Computing kpt #: 224 total cpu time spent up to now is 68.0 secs Computing kpt #: 225 total cpu time spent up to now is 68.4 secs Computing kpt #: 226 total cpu time spent up to now is 68.7 secs Computing kpt #: 227 total cpu time spent up to now is 69.1 secs Computing kpt #: 228 total cpu time spent up to now is 69.4 secs Computing kpt #: 229 total cpu time spent up to now is 69.8 secs Computing kpt #: 230 total cpu time spent up to now is 70.1 secs Computing kpt #: 231 total cpu time spent up to now is 70.4 secs Computing kpt #: 232 total cpu time spent up to now is 70.8 secs Computing kpt #: 233 total cpu time spent up to now is 71.1 secs Computing kpt #: 234 total cpu time spent up to now is 71.4 secs Computing kpt #: 235 total cpu time spent up to now is 71.7 secs Computing kpt #: 236 total cpu time spent up to now is 72.1 secs Computing kpt #: 237 total cpu time spent up to now is 72.4 secs Computing kpt #: 238 total cpu time spent up to now is 72.7 secs Computing kpt #: 239 total cpu time spent up to now is 73.1 secs Computing kpt #: 240 total cpu time spent up to now is 73.4 secs Computing kpt #: 241 total cpu time spent up to now is 73.7 secs Computing kpt #: 242 total cpu time spent up to now is 74.0 secs Computing kpt #: 243 total cpu time spent up to now is 74.3 secs Computing kpt #: 244 total cpu time spent up to now is 74.5 secs Computing kpt #: 245 total cpu time spent up to now is 74.8 secs Computing kpt #: 246 total cpu time spent up to now is 75.1 secs Computing kpt #: 247 total cpu time spent up to now is 75.4 secs Computing kpt #: 248 total cpu time spent up to now is 75.7 secs Computing kpt #: 249 total cpu time spent up to now is 75.9 secs Computing kpt #: 250 total cpu time spent up to now is 76.2 secs Computing kpt #: 251 total cpu time spent up to now is 76.5 secs Computing kpt #: 252 total cpu time spent up to now is 76.7 secs Computing kpt #: 253 total cpu time spent up to now is 77.0 secs Computing kpt #: 254 total cpu time spent up to now is 77.3 secs Computing kpt #: 255 total cpu time spent up to now is 77.5 secs Computing kpt #: 256 total cpu time spent up to now is 77.8 secs Computing kpt #: 257 total cpu time spent up to now is 78.1 secs Computing kpt #: 258 total cpu time spent up to now is 78.4 secs Computing kpt #: 259 total cpu time spent up to now is 78.7 secs Computing kpt #: 260 total cpu time spent up to now is 79.0 secs Computing kpt #: 261 total cpu time spent up to now is 79.3 secs Computing kpt #: 262 total cpu time spent up to now is 79.6 secs Computing kpt #: 263 total cpu time spent up to now is 79.9 secs Computing kpt #: 264 total cpu time spent up to now is 80.2 secs Computing kpt #: 265 total cpu time spent up to now is 80.5 secs Computing kpt #: 266 total cpu time spent up to now is 80.8 secs Computing kpt #: 267 total cpu time spent up to now is 81.1 secs Computing kpt #: 268 total cpu time spent up to now is 81.5 secs Computing kpt #: 269 total cpu time spent up to now is 81.8 secs Computing kpt #: 270 total cpu time spent up to now is 82.1 secs Computing kpt #: 271 total cpu time spent up to now is 82.4 secs Computing kpt #: 272 total cpu time spent up to now is 82.8 secs Computing kpt #: 273 total cpu time spent up to now is 83.1 secs Computing kpt #: 274 total cpu time spent up to now is 83.4 secs Computing kpt #: 275 total cpu time spent up to now is 83.8 secs Computing kpt #: 276 total cpu time spent up to now is 84.1 secs Computing kpt #: 277 total cpu time spent up to now is 84.5 secs Computing kpt #: 278 total cpu time spent up to now is 84.8 secs Computing kpt #: 279 total cpu time spent up to now is 85.1 secs Computing kpt #: 280 total cpu time spent up to now is 85.5 secs Computing kpt #: 281 total cpu time spent up to now is 85.7 secs Computing kpt #: 282 total cpu time spent up to now is 86.0 secs Computing kpt #: 283 total cpu time spent up to now is 86.2 secs Computing kpt #: 284 total cpu time spent up to now is 86.5 secs Computing kpt #: 285 total cpu time spent up to now is 86.7 secs Computing kpt #: 286 total cpu time spent up to now is 86.9 secs Computing kpt #: 287 total cpu time spent up to now is 87.2 secs Computing kpt #: 288 total cpu time spent up to now is 87.4 secs Computing kpt #: 289 total cpu time spent up to now is 87.7 secs Computing kpt #: 290 total cpu time spent up to now is 87.9 secs Computing kpt #: 291 total cpu time spent up to now is 88.2 secs Computing kpt #: 292 total cpu time spent up to now is 88.5 secs Computing kpt #: 293 total cpu time spent up to now is 88.7 secs Computing kpt #: 294 total cpu time spent up to now is 89.0 secs Computing kpt #: 295 total cpu time spent up to now is 89.3 secs Computing kpt #: 296 total cpu time spent up to now is 89.6 secs Computing kpt #: 297 total cpu time spent up to now is 89.8 secs Computing kpt #: 298 total cpu time spent up to now is 90.1 secs Computing kpt #: 299 total cpu time spent up to now is 90.4 secs Computing kpt #: 300 total cpu time spent up to now is 90.7 secs Computing kpt #: 301 total cpu time spent up to now is 90.9 secs Computing kpt #: 302 total cpu time spent up to now is 91.2 secs Computing kpt #: 303 total cpu time spent up to now is 91.5 secs Computing kpt #: 304 total cpu time spent up to now is 91.8 secs Computing kpt #: 305 total cpu time spent up to now is 92.1 secs Computing kpt #: 306 total cpu time spent up to now is 92.4 secs Computing kpt #: 307 total cpu time spent up to now is 92.7 secs Computing kpt #: 308 total cpu time spent up to now is 93.0 secs Computing kpt #: 309 total cpu time spent up to now is 93.3 secs Computing kpt #: 310 total cpu time spent up to now is 93.7 secs Computing kpt #: 311 total cpu time spent up to now is 93.9 secs Computing kpt #: 312 total cpu time spent up to now is 94.1 secs Computing kpt #: 313 total cpu time spent up to now is 94.4 secs Computing kpt #: 314 total cpu time spent up to now is 94.6 secs Computing kpt #: 315 total cpu time spent up to now is 94.8 secs Computing kpt #: 316 total cpu time spent up to now is 95.1 secs Computing kpt #: 317 total cpu time spent up to now is 95.3 secs Computing kpt #: 318 total cpu time spent up to now is 95.6 secs Computing kpt #: 319 total cpu time spent up to now is 95.8 secs Computing kpt #: 320 total cpu time spent up to now is 96.1 secs Computing kpt #: 321 total cpu time spent up to now is 96.3 secs Computing kpt #: 322 total cpu time spent up to now is 96.6 secs Computing kpt #: 323 total cpu time spent up to now is 96.8 secs Computing kpt #: 324 total cpu time spent up to now is 97.1 secs Computing kpt #: 325 total cpu time spent up to now is 97.3 secs Computing kpt #: 326 total cpu time spent up to now is 97.6 secs Computing kpt #: 327 total cpu time spent up to now is 97.9 secs Computing kpt #: 328 total cpu time spent up to now is 98.2 secs Computing kpt #: 329 total cpu time spent up to now is 98.5 secs Computing kpt #: 330 total cpu time spent up to now is 98.8 secs Computing kpt #: 331 total cpu time spent up to now is 99.1 secs Computing kpt #: 332 total cpu time spent up to now is 99.4 secs Computing kpt #: 333 total cpu time spent up to now is 99.7 secs Computing kpt #: 334 total cpu time spent up to now is 100.1 secs Computing kpt #: 335 total cpu time spent up to now is 100.4 secs Computing kpt #: 336 total cpu time spent up to now is 100.7 secs Computing kpt #: 337 total cpu time spent up to now is 101.0 secs Computing kpt #: 338 total cpu time spent up to now is 101.3 secs Computing kpt #: 339 total cpu time spent up to now is 101.6 secs Computing kpt #: 340 total cpu time spent up to now is 102.0 secs ethr = 3.13E-08, avg # of iterations = 19.3 total cpu time spent up to now is 102.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -1.3261 -1.3261 1.8195 1.8195 5.4632 5.4632 6.5394 6.5394 6.6073 6.6073 7.1637 7.1637 8.4271 8.4271 8.6711 8.6711 9.3392 9.3392 10.0089 10.0089 11.0055 11.0055 11.0185 11.0185 11.4975 11.4975 12.1060 12.1060 13.7931 13.7931 14.0876 14.0876 14.8890 14.8890 15.6474 15.6474 15.8244 15.8244 15.9953 15.9953 k = 0.0111 0.0064-0.0000 ( 2391 PWs) bands (ev): -1.3247 -1.3247 1.8185 1.8185 5.4650 5.4650 6.5406 6.5406 6.6086 6.6086 7.1632 7.1632 8.4260 8.4260 8.6698 8.6698 9.3377 9.3377 10.0075 10.0075 10.9936 10.9936 11.0269 11.0269 11.4980 11.4980 12.1002 12.1002 13.7952 13.7952 14.0862 14.0862 14.8832 14.8832 15.6584 15.6584 15.8255 15.8256 15.9950 15.9950 k = 0.0222 0.0128-0.0000 ( 2383 PWs) bands (ev): -1.3206 -1.3206 1.8155 1.8155 5.4703 5.4703 6.5441 6.5441 6.6124 6.6124 7.1616 7.1616 8.4227 8.4227 8.6657 8.6657 9.3331 9.3331 10.0033 10.0033 10.9731 10.9731 11.0367 11.0367 11.4995 11.4995 12.0830 12.0830 13.8016 13.8016 14.0821 14.0821 14.8661 14.8661 15.6902 15.6902 15.8279 15.8279 15.9959 15.9959 k = 0.0333 0.0192-0.0000 ( 2377 PWs) bands (ev): -1.3137 -1.3137 1.8106 1.8106 5.4792 5.4792 6.5496 6.5496 6.6190 6.6190 7.1588 7.1588 8.4171 8.4171 8.6589 8.6589 9.3254 9.3254 9.9967 9.9967 10.9478 10.9478 11.0444 11.0444 11.5016 11.5016 12.0556 12.0556 13.8125 13.8125 14.0751 14.0751 14.8389 14.8389 15.7385 15.7385 15.8284 15.8284 16.0034 16.0034 k = 0.0444 0.0257-0.0000 ( 2377 PWs) bands (ev): -1.3041 -1.3041 1.8038 1.8038 5.4916 5.4916 6.5566 6.5566 6.6289 6.6289 7.1549 7.1549 8.4092 8.4092 8.6496 8.6496 9.3144 9.3144 9.9880 9.9880 10.9176 10.9176 11.0500 11.0500 11.5040 11.5040 12.0200 12.0200 13.8280 13.8280 14.0651 14.0651 14.8029 14.8029 15.7901 15.7901 15.8296 15.8296 16.0257 16.0257 k = 0.0556 0.0321-0.0000 ( 2373 PWs) bands (ev): -1.2918 -1.2918 1.7952 1.7952 5.5075 5.5075 6.5646 6.5646 6.6425 6.6425 7.1497 7.1497 8.3989 8.3989 8.6379 8.6379 9.2999 9.2999 9.9777 9.9777 10.8821 10.8821 11.0540 11.0540 11.5060 11.5060 11.9783 11.9783 13.8481 13.8481 14.0522 14.0522 14.7594 14.7594 15.7938 15.7938 15.8724 15.8724 16.0705 16.0705 k = 0.0667 0.0385-0.0000 ( 2369 PWs) bands (ev): -1.2768 -1.2768 1.7847 1.7847 5.5269 5.5269 6.5731 6.5731 6.6602 6.6602 7.1432 7.1432 8.3858 8.3858 8.6241 8.6241 9.2818 9.2818 9.9665 9.9665 10.8412 10.8412 11.0564 11.0564 11.5071 11.5071 11.9329 11.9329 13.8727 13.8727 14.0362 14.0362 14.7095 14.7095 15.7717 15.7717 15.9282 15.9282 16.1412 16.1412 k = 0.0778 0.0449-0.0000 ( 2371 PWs) bands (ev): -1.2591 -1.2591 1.7725 1.7725 5.5497 5.5497 6.5818 6.5818 6.6819 6.6819 7.1351 7.1351 8.3698 8.3698 8.6085 8.6085 9.2600 9.2600 9.9549 9.9549 10.7949 10.7949 11.0578 11.0578 11.5065 11.5065 11.8862 11.8862 13.9009 13.9009 14.0173 14.0173 14.6540 14.6540 15.7432 15.7432 15.9783 15.9783 16.2344 16.2344 k = 0.0889 0.0513-0.0000 ( 2369 PWs) bands (ev): -1.2388 -1.2388 1.7587 1.7587 5.5761 5.5761 6.5908 6.5908 6.7078 6.7078 7.1254 7.1254 8.3507 8.3507 8.5915 8.5915 9.2343 9.2343 9.9437 9.9437 10.7433 10.7433 11.0583 11.0583 11.5034 11.5034 11.8404 11.8404 13.9300 13.9300 13.9978 13.9978 14.5941 14.5941 15.7123 15.7123 16.0237 16.0237 16.3423 16.3423 k = 0.1000 0.0577-0.0000 ( 2361 PWs) bands (ev): -1.2158 -1.2158 1.7433 1.7433 5.6058 5.6058 6.5999 6.5999 6.7375 6.7375 7.1137 7.1137 8.3279 8.3279 8.5735 8.5735 9.2049 9.2049 9.9333 9.9333 10.6871 10.6871 11.0581 11.0581 11.4971 11.4971 11.7971 11.7971 13.9425 13.9425 13.9937 13.9937 14.5305 14.5305 15.6810 15.6810 16.0664 16.0664 16.4581 16.4581 k = 0.1111 0.0642-0.0000 ( 2363 PWs) bands (ev): -1.1902 -1.1902 1.7265 1.7265 5.6390 5.6390 6.6092 6.6092 6.7707 6.7707 7.0999 7.0999 8.3014 8.3014 8.5551 8.5551 9.1718 9.1718 9.9243 9.9243 10.6269 10.6269 11.0573 11.0573 11.4868 11.4868 11.7578 11.7578 13.9201 13.9201 14.0219 14.0219 14.4648 14.4648 15.6509 15.6509 16.1071 16.1071 16.5774 16.5774 k = 0.1222 0.0706-0.0000 ( 2367 PWs) bands (ev): -1.1620 -1.1620 1.7083 1.7083 5.6754 5.6754 6.6188 6.6188 6.8073 6.8073 7.0837 7.0837 8.2707 8.2707 8.5369 8.5369 9.1354 9.1354 9.9170 9.9170 10.5638 10.5638 11.0561 11.0561 11.4720 11.4720 11.7232 11.7232 13.8845 13.8845 14.0577 14.0577 14.3994 14.3994 15.6230 15.6230 16.1457 16.1457 16.6972 16.6972 k = 0.1333 0.0770-0.0000 ( 2363 PWs) bands (ev): -1.1312 -1.1312 1.6888 1.6888 5.7152 5.7152 6.6286 6.6286 6.8467 6.8467 7.0647 7.0647 8.2359 8.2359 8.5193 8.5193 9.0961 9.0961 9.9117 9.9117 10.4988 10.4988 11.0545 11.0545 11.4523 11.4523 11.6933 11.6933 13.8419 13.8419 14.0888 14.0888 14.3399 14.3399 15.5982 15.5982 16.1821 16.1821 16.8155 16.8155 k = 0.1444 0.0834-0.0000 ( 2364 PWs) bands (ev): -1.0980 -1.0980 1.6682 1.6682 5.7582 5.7582 6.6386 6.6386 6.8885 6.8885 7.0428 7.0428 8.1972 8.1972 8.5028 8.5028 9.0545 9.0545 9.9084 9.9084 10.4330 10.4330 11.0526 11.0526 11.4280 11.4280 11.6678 11.6678 13.7929 13.7929 14.0995 14.0995 14.3009 14.3009 15.5770 15.5770 16.2158 16.2158 16.9315 16.9315 k = 0.1556 0.0898-0.0000 ( 2366 PWs) bands (ev): -1.0623 -1.0623 1.6466 1.6466 5.8044 5.8044 6.6488 6.6488 6.9310 6.9310 7.0188 7.0188 8.1550 8.1550 8.4875 8.4875 9.0110 9.0110 9.9071 9.9071 10.3675 10.3675 11.0505 11.0505 11.3994 11.3994 11.6459 11.6459 13.7374 13.7374 14.0709 14.0709 14.3009 14.3009 15.5599 15.5599 16.2467 16.2467 17.0447 17.0447 k = 0.1667 0.0962-0.0000 ( 2366 PWs) bands (ev): -1.0242 -1.0242 1.6240 1.6240 5.8536 5.8536 6.6591 6.6591 6.9601 6.9601 7.0060 7.0060 8.1101 8.1101 8.4738 8.4738 8.9665 8.9665 9.9079 9.9079 10.3032 10.3032 11.0480 11.0480 11.3670 11.3670 11.6268 11.6268 13.6751 13.6751 14.0114 14.0114 14.3311 14.3311 15.5470 15.5470 16.2747 16.2747 17.1546 17.1546 k = 0.1778 0.1026-0.0000 ( 2364 PWs) bands (ev): -0.9837 -0.9837 1.6005 1.6005 5.9059 5.9059 6.6695 6.6695 6.9387 6.9387 7.0406 7.0406 8.0636 8.0636 8.4618 8.4618 8.9214 8.9214 9.9105 9.9105 10.2409 10.2409 11.0451 11.0451 11.3313 11.3313 11.6095 11.6095 13.6060 13.6060 13.9382 13.9382 14.3741 14.3741 15.5386 15.5386 16.3000 16.3000 17.2610 17.2610 k = 0.1889 0.1091-0.0000 ( 2370 PWs) bands (ev): -0.9410 -0.9410 1.5764 1.5764 5.9610 5.9610 6.6798 6.6798 6.8988 6.8988 7.0896 7.0896 8.0166 8.0166 8.4517 8.4517 8.8763 8.8763 9.9147 9.9147 10.1813 10.1813 11.0418 11.0418 11.2928 11.2928 11.5936 11.5936 13.5301 13.5301 13.8591 13.8591 14.4216 14.4216 15.5345 15.5345 16.3227 16.3227 17.3624 17.3624 k = 0.2000 0.1155-0.0000 ( 2374 PWs) bands (ev): -0.8960 -0.8960 1.5515 1.5515 6.0188 6.0188 6.6899 6.6899 6.8509 6.8509 7.1417 7.1417 7.9705 7.9705 8.4434 8.4434 8.8318 8.8318 9.9202 9.9202 10.1248 10.1248 11.0376 11.0376 11.2519 11.2519 11.5788 11.5788 13.4475 13.4475 13.7765 13.7765 14.4704 14.4704 15.5348 15.5348 16.3433 16.3433 17.4567 17.4567 k = 0.2111 0.1219-0.0000 ( 2370 PWs) bands (ev): -0.8489 -0.8489 1.5261 1.5261 6.0792 6.0792 6.6995 6.6995 6.7960 6.7960 7.1953 7.1953 7.9267 7.9267 8.4372 8.4372 8.7882 8.7882 9.9264 9.9264 10.0722 10.0722 11.0319 11.0319 11.2094 11.2094 11.5647 11.5647 13.3587 13.3587 13.6916 13.6916 14.5190 14.5190 15.5392 15.5392 16.3619 16.3619 17.5398 17.5398 k = 0.2222 0.1283-0.0000 ( 2374 PWs) bands (ev): -0.7998 -0.7998 1.5002 1.5002 6.1417 6.1417 6.7065 6.7065 6.7364 6.7364 7.2493 7.2493 7.8867 7.8867 8.4330 8.4330 8.7459 8.7459 9.9320 9.9320 10.0246 10.0246 11.0234 11.0234 11.1666 11.1666 11.5514 11.5514 13.2640 13.2640 13.6047 13.6047 14.5662 14.5662 15.5477 15.5477 16.3790 16.3790 17.6057 17.6057 k = 0.2333 0.1347-0.0000 ( 2390 PWs) bands (ev): -0.7486 -0.7486 1.4739 1.4739 6.2059 6.2059 6.6622 6.6622 6.7213 6.7213 7.3030 7.3030 7.8519 7.8519 8.4310 8.4310 8.7054 8.7054 9.9309 9.9309 9.9880 9.9880 11.0088 11.0088 11.1270 11.1270 11.5388 11.5388 13.1640 13.1640 13.5162 13.5162 14.6114 14.6114 15.5601 15.5601 16.3949 16.3949 17.6484 17.6484 k = 0.2444 0.1411-0.0000 ( 2390 PWs) bands (ev): -0.6956 -0.6956 1.4472 1.4472 6.2704 6.2704 6.5895 6.5895 6.7292 6.7292 7.3550 7.3550 7.8237 7.8237 8.4311 8.4311 8.6670 8.6670 9.9090 9.9090 9.9763 9.9763 10.9828 10.9828 11.0960 11.0960 11.5267 11.5267 13.0590 13.0590 13.4262 13.4262 14.6540 14.6540 15.5762 15.5762 16.4099 16.4099 17.6670 17.6670 k = 0.2556 0.1475-0.0000 ( 2394 PWs) bands (ev): -0.6408 -0.6408 1.4202 1.4202 6.3299 6.3299 6.5168 6.5168 6.7374 6.7374 7.4036 7.4036 7.8040 7.8040 8.4333 8.4333 8.6311 8.6311 9.8736 9.8736 9.9816 9.9816 10.9426 10.9426 11.0765 11.0765 11.5153 11.5153 12.9495 12.9495 13.3352 13.3352 14.6934 14.6934 15.5958 15.5958 16.4242 16.4242 17.6685 17.6685 k = 0.2667 0.1540-0.0000 ( 2394 PWs) bands (ev): -0.5843 -0.5843 1.3929 1.3929 6.3523 6.3523 6.4775 6.4775 6.7452 6.7452 7.4462 7.4462 7.7952 7.7952 8.4372 8.4372 8.5984 8.5984 9.8368 9.8368 9.9916 9.9916 10.8917 10.8917 11.0654 11.0654 11.5044 11.5044 12.8358 12.8358 13.2437 13.2437 14.7295 14.7295 15.6189 15.6189 16.4380 16.4380 17.6621 17.6621 k = 0.2778 0.1604-0.0000 ( 2388 PWs) bands (ev): -0.5264 -0.5264 1.3653 1.3653 6.2925 6.2925 6.5172 6.5172 6.7526 6.7526 7.4797 7.4797 7.7999 7.7999 8.4422 8.4422 8.5700 8.5700 9.8014 9.8014 10.0032 10.0032 10.8342 10.8342 11.0586 11.0586 11.4939 11.4939 12.7183 12.7183 13.1523 13.1523 14.7620 14.7620 15.6450 15.6450 16.4515 16.4515 17.6547 17.6547 k = 0.2889 0.1668-0.0000 ( 2384 PWs) bands (ev): -0.4670 -0.4670 1.3375 1.3375 6.2039 6.2039 6.5832 6.5832 6.7599 6.7599 7.5021 7.5021 7.8197 7.8197 8.4464 8.4464 8.5479 8.5479 9.7677 9.7677 10.0155 10.0155 10.7727 10.7727 11.0541 11.0541 11.4840 11.4840 12.5971 12.5971 13.0617 13.0617 14.7908 14.7908 15.6741 15.6741 16.4648 16.4648 17.6497 17.6497 k = 0.3000 0.1732-0.0000 ( 2390 PWs) bands (ev): -0.4063 -0.4063 1.3095 1.3095 6.1082 6.1082 6.6533 6.6533 6.7679 6.7679 7.5139 7.5139 7.8535 7.8535 8.4467 8.4467 8.5357 8.5357 9.7358 9.7358 10.0279 10.0279 10.7084 10.7084 11.0507 11.0507 11.4744 11.4744 12.4729 12.4729 12.9725 12.9725 14.8160 14.8160 15.7057 15.7057 16.4780 16.4780 17.6483 17.6483 k = 0.3111 0.1796-0.0000 ( 2388 PWs) bands (ev): -0.3446 -0.3446 1.2812 1.2812 6.0097 6.0097 6.7189 6.7189 6.7817 6.7817 7.5178 7.5178 7.8982 7.8982 8.4406 8.4406 8.5362 8.5362 9.7055 9.7055 10.0403 10.0403 10.6422 10.6422 11.0479 11.0479 11.4652 11.4652 12.3460 12.3460 12.8854 12.8854 14.8377 14.8377 15.7395 15.7395 16.4913 16.4913 17.6502 17.6502 k = 0.3222 0.1860-0.0000 ( 2388 PWs) bands (ev): -0.2820 -0.2820 1.2526 1.2526 5.9103 5.9103 6.7555 6.7555 6.8240 6.8240 7.5169 7.5169 7.9499 7.9499 8.4305 8.4305 8.5476 8.5476 9.6766 9.6766 10.0524 10.0524 10.5746 10.5746 11.0454 11.0454 11.4563 11.4563 12.2172 12.2172 12.8009 12.8009 14.8563 14.8563 15.7749 15.7749 16.5047 16.5047 17.6544 17.6544 k = 0.3333 0.1925-0.0000 ( 2388 PWs) bands (ev): -0.2186 -0.2186 1.2237 1.2237 5.8114 5.8114 6.7662 6.7662 6.8912 6.8912 7.5134 7.5134 8.0061 8.0061 8.4201 8.4201 8.5664 8.5664 9.6489 9.6489 10.0639 10.0639 10.5061 10.5061 11.0431 11.0431 11.4476 11.4476 12.0871 12.0871 12.7196 12.7196 14.8719 14.8719 15.8116 15.8116 16.5183 16.5183 17.6580 17.6580 k = 0.3444 0.1989-0.0000 ( 2382 PWs) bands (ev): -0.1547 -0.1547 1.1944 1.1944 5.7139 5.7139 6.7710 6.7710 6.9620 6.9620 7.5088 7.5088 8.0647 8.0647 8.4124 8.4124 8.5903 8.5903 9.6221 9.6221 10.0745 10.0745 10.4371 10.4371 11.0406 11.0406 11.4389 11.4389 11.9567 11.9567 12.6420 12.6420 14.8850 14.8850 15.8490 15.8490 16.5322 16.5322 17.6567 17.6567 k = 0.3556 0.2053-0.0000 ( 2378 PWs) bands (ev): -0.0904 -0.0904 1.1647 1.1647 5.6189 5.6189 6.7740 6.7740 7.0317 7.0317 7.5039 7.5039 8.1243 8.1243 8.4089 8.4089 8.6183 8.6183 9.5960 9.5960 10.0841 10.0841 10.3681 10.3681 11.0377 11.0377 11.4301 11.4301 11.8273 11.8273 12.5683 12.5683 14.8959 14.8959 15.8864 15.8864 16.5463 16.5463 17.6444 17.6444 k = 0.3667 0.2117-0.0000 ( 2384 PWs) bands (ev): -0.0260 -0.0260 1.1344 1.1344 5.5270 5.5270 6.7761 6.7761 7.0985 7.0985 7.4991 7.4991 8.1839 8.1839 8.4109 8.4109 8.6497 8.6497 9.5702 9.5702 10.0923 10.0923 10.2995 10.2995 11.0341 11.0341 11.4207 11.4207 11.7006 11.7006 12.4991 12.4991 14.9048 14.9048 15.9235 15.9235 16.5608 16.5608 17.6175 17.6175 k = 0.3778 0.2181-0.0000 ( 2390 PWs) bands (ev): 0.0384 0.0384 1.1034 1.1034 5.4392 5.4392 6.7774 6.7774 7.1611 7.1611 7.4948 7.4948 8.2423 8.2423 8.4193 8.4193 8.6843 8.6843 9.5447 9.5447 10.0987 10.0987 10.2319 10.2319 11.0292 11.0292 11.4089 11.4089 11.5799 11.5799 12.4346 12.4346 14.9121 14.9121 15.9597 15.9597 16.5756 16.5756 17.5789 17.5789 k = 0.3889 0.2245-0.0000 ( 2390 PWs) bands (ev): 0.1024 0.1024 1.0716 1.0716 5.3561 5.3561 6.7781 6.7781 7.2185 7.2185 7.4911 7.4912 8.2982 8.2982 8.4354 8.4354 8.7219 8.7219 9.5190 9.5190 10.1028 10.1028 10.1658 10.1658 11.0219 11.0219 11.3855 11.3855 11.4767 11.4767 12.3751 12.3751 14.9181 14.9181 15.9944 15.9944 16.5907 16.5907 17.5345 17.5345 k = 0.4000 0.2309-0.0000 ( 2394 PWs) bands (ev): 0.1658 0.1658 1.0389 1.0389 5.2785 5.2785 6.7785 6.7785 7.2697 7.2697 7.4884 7.4884 8.3497 8.3497 8.4603 8.4603 8.7622 8.7622 9.4930 9.4930 10.0960 10.0960 10.1100 10.1100 11.0098 11.0098 11.3194 11.3194 11.4260 11.4260 12.3208 12.3208 14.9230 14.9230 16.0273 16.0273 16.6060 16.6060 17.4885 17.4885 k = 0.4111 0.2374-0.0000 ( 2394 PWs) bands (ev): 0.2285 0.2285 1.0052 1.0052 5.2070 5.2070 6.7786 6.7786 7.3138 7.3138 7.4867 7.4867 8.3952 8.3952 8.4949 8.4949 8.8051 8.8051 9.4664 9.4664 10.0379 10.0379 10.1051 10.1051 10.9885 10.9885 11.2345 11.2345 11.4098 11.4098 12.2720 12.2720 14.9269 14.9269 16.0579 16.0579 16.6214 16.6214 17.4433 17.4433 k = 0.4222 0.2438-0.0000 ( 2398 PWs) bands (ev): 0.2902 0.2902 0.9702 0.9702 5.1422 5.1422 6.7785 6.7785 7.3504 7.3504 7.4864 7.4864 8.4345 8.4345 8.5375 8.5375 8.8502 8.8502 9.4390 9.4390 9.9795 9.9795 10.1004 10.1004 10.9509 10.9509 11.1674 11.1674 11.4006 11.4006 12.2287 12.2287 14.9300 14.9300 16.0858 16.0858 16.6366 16.6366 17.4006 17.4006 k = 0.4333 0.2502-0.0000 ( 2388 PWs) bands (ev): 0.3506 0.3506 0.9339 0.9339 5.0848 5.0848 6.7782 6.7782 7.3792 7.3792 7.4879 7.4879 8.4693 8.4693 8.5846 8.5846 8.8973 8.8973 9.4104 9.4104 9.9251 9.9251 10.0921 10.0921 10.8957 10.8957 11.1264 11.1264 11.3936 11.3936 12.1911 12.1911 14.9325 14.9325 16.1108 16.1108 16.6515 16.6515 17.3612 17.3612 k = 0.4444 0.2566-0.0000 ( 2382 PWs) bands (ev): 0.4095 0.4095 0.8960 0.8960 5.0352 5.0352 6.7779 6.7779 7.4001 7.4001 7.4913 7.4913 8.5006 8.5006 8.6322 8.6322 8.9458 8.9458 9.3806 9.3806 9.8760 9.8760 10.0800 10.0800 10.8328 10.8328 11.1046 11.1046 11.3878 11.3878 12.1593 12.1593 14.9345 14.9345 16.1324 16.1324 16.6655 16.6655 17.3260 17.3260 k = 0.4556 0.2630-0.0000 ( 2378 PWs) bands (ev): 0.4668 0.4668 0.8565 0.8565 4.9939 4.9939 6.7775 6.7775 7.4141 7.4141 7.4962 7.4962 8.5282 8.5282 8.6772 8.6772 8.9949 8.9949 9.3493 9.3493 9.8333 9.8333 10.0647 10.0647 10.7736 10.7736 11.0929 11.0929 11.3831 11.3831 12.1333 12.1333 14.9360 14.9360 16.1504 16.1504 16.6783 16.6783 17.2957 17.2957 k = 0.4667 0.2694-0.0000 ( 2378 PWs) bands (ev): 0.5222 0.5222 0.8152 0.8152 4.9614 4.9614 6.7772 6.7772 7.4226 7.4226 7.5016 7.5016 8.5512 8.5512 8.7168 8.7168 9.0434 9.0434 9.3165 9.3165 9.7982 9.7982 10.0478 10.0478 10.7247 10.7247 11.0863 11.0863 11.3794 11.3794 12.1130 12.1130 14.9371 14.9371 16.1647 16.1647 16.6891 16.6891 17.2711 17.2711 k = 0.4778 0.2758-0.0000 ( 2380 PWs) bands (ev): 0.5755 0.5755 0.7722 0.7722 4.9379 4.9379 6.7769 6.7769 7.4274 7.4274 7.5064 7.5064 8.5685 8.5685 8.7480 8.7480 9.0894 9.0894 9.2830 9.2830 9.7721 9.7721 10.0320 10.0320 10.6890 10.6890 11.0825 11.0825 11.3766 11.3766 12.0986 12.0986 14.9379 14.9379 16.1750 16.1750 16.6975 16.6975 17.2528 17.2528 k = 0.4889 0.2823-0.0000 ( 2378 PWs) bands (ev): 0.6261 0.6261 0.7279 0.7279 4.9237 4.9237 6.7768 6.7768 7.4298 7.4298 7.5095 7.5095 8.5792 8.5792 8.7682 8.7682 9.1290 9.1290 9.2515 9.2515 9.7558 9.7558 10.0207 10.0207 10.6675 10.6675 11.0805 11.0805 11.3750 11.3750 12.0900 12.0900 14.9383 14.9383 16.1812 16.1812 16.7028 16.7028 17.2416 17.2416 k = 0.5000 0.2887-0.0000 ( 2382 PWs) bands (ev): 0.6627 0.6627 0.6933 0.6933 4.9190 4.9190 6.7767 6.7767 7.4305 7.4305 7.5106 7.5106 8.5829 8.5829 8.7752 8.7752 9.1484 9.1484 9.2349 9.2349 9.7504 9.7504 10.0165 10.0165 10.6603 10.6603 11.0799 11.0799 11.3744 11.3744 12.0871 12.0871 14.9384 14.9384 16.1833 16.1833 16.7047 16.7047 17.2378 17.2378 k = 0.5000 0.2887-0.0000 ( 2382 PWs) bands (ev): 0.6627 0.6627 0.6933 0.6933 4.9190 4.9190 6.7767 6.7767 7.4305 7.4305 7.5106 7.5106 8.5829 8.5829 8.7752 8.7752 9.1484 9.1484 9.2349 9.2349 9.7504 9.7504 10.0165 10.0165 10.6603 10.6603 11.0799 11.0799 11.3744 11.3744 12.0871 12.0871 14.9384 14.9384 16.1833 16.1833 16.7047 16.7047 17.2378 17.2378 k = 0.4936 0.2998-0.0000 ( 2386 PWs) bands (ev): 0.6633 0.6633 0.6937 0.6937 4.9190 4.9190 6.7752 6.7752 7.4294 7.4294 7.5107 7.5107 8.5813 8.5813 8.7746 8.7746 9.1311 9.1311 9.2449 9.2449 9.7587 9.7587 10.0209 10.0209 10.6607 10.6607 11.0799 11.0799 11.3752 11.3752 12.0898 12.0898 14.9316 14.9316 16.1347 16.1347 16.7448 16.7448 17.2399 17.2399 k = 0.4872 0.3109-0.0000 ( 2378 PWs) bands (ev): 0.6651 0.6651 0.6948 0.6948 4.9192 4.9192 6.7708 6.7708 7.4256 7.4256 7.5113 7.5113 8.5756 8.5756 8.7736 8.7736 9.0933 9.0933 9.2629 9.2629 9.7823 9.7823 10.0338 10.0338 10.6618 10.6618 11.0802 11.0802 11.3775 11.3775 12.0980 12.0980 14.9112 14.9112 16.0204 16.0204 16.8282 16.8282 17.2466 17.2466 k = 0.4808 0.3220-0.0000 ( 2384 PWs) bands (ev): 0.6680 0.6680 0.6968 0.6968 4.9195 4.9195 6.7635 6.7635 7.4180 7.4180 7.5134 7.5134 8.5637 8.5637 8.7745 8.7745 9.0485 9.0485 9.2794 9.2794 9.8176 9.8176 10.0545 10.0545 10.6637 10.6637 11.0806 11.0806 11.3812 11.3812 12.1116 12.1116 14.8769 14.8769 15.8785 15.8785 16.8972 16.8972 17.2595 17.2595 k = 0.4744 0.3331-0.0000 ( 2390 PWs) bands (ev): 0.6718 0.6718 0.6997 0.6997 4.9198 4.9198 6.7537 6.7537 7.4052 7.4052 7.5183 7.5183 8.5436 8.5436 8.7789 8.7789 9.0032 9.0032 9.2929 9.2929 9.8602 9.8602 10.0822 10.0822 10.6668 10.6668 11.0811 11.0811 11.3861 11.3861 12.1306 12.1306 14.8285 14.8285 15.7260 15.7260 16.9108 16.9108 17.2798 17.2798 k = 0.4679 0.3442-0.0000 ( 2394 PWs) bands (ev): 0.6763 0.6763 0.7038 0.7038 4.9201 4.9201 6.7416 6.7416 7.3864 7.3864 7.5266 7.5266 8.5150 8.5150 8.7859 8.7859 8.9628 8.9628 9.3044 9.3044 9.9063 9.9063 10.1154 10.1154 10.6713 10.6713 11.0819 11.0819 11.3921 11.3921 12.1551 12.1551 14.7661 14.7661 15.5695 15.5695 16.8681 16.8681 17.3045 17.3045 k = 0.4615 0.3553-0.0000 ( 2398 PWs) bands (ev): 0.6812 0.6812 0.7092 0.7092 4.9204 4.9204 6.7275 6.7275 7.3612 7.3612 7.5382 7.5382 8.4795 8.4795 8.7892 8.7892 8.9349 8.9349 9.3148 9.3148 9.9529 9.9529 10.1528 10.1528 10.6778 10.6778 11.0830 11.0830 11.3988 11.3988 12.1849 12.1849 14.6897 14.6897 15.4119 15.4119 16.7969 16.7969 17.3320 17.3320 k = 0.4551 0.3664-0.0000 ( 2398 PWs) bands (ev): 0.6862 0.6862 0.7162 0.7162 4.9204 4.9204 6.7119 6.7119 7.3298 7.3298 7.5531 7.5531 8.4395 8.4395 8.7788 8.7788 8.9291 8.9291 9.3250 9.3250 9.9981 9.9981 10.1927 10.1927 10.6867 10.6867 11.0844 11.0844 11.4061 11.4061 12.2198 12.2198 14.6001 14.6001 15.2545 15.2545 16.7184 16.7184 17.3634 17.3634 k = 0.4487 0.3775-0.0000 ( 2390 PWs) bands (ev): 0.6912 0.6912 0.7247 0.7247 4.9201 4.9201 6.6950 6.6950 7.2923 7.2923 7.5709 7.5709 8.3979 8.3979 8.7536 8.7536 8.9455 8.9455 9.3355 9.3355 10.0404 10.0404 10.2333 10.2333 10.6991 10.6991 11.0864 11.0864 11.4138 11.4138 12.2593 12.2593 14.4985 14.4985 15.0981 15.0981 16.6428 16.6428 17.3995 17.3995 k = 0.4423 0.3886-0.0000 ( 2396 PWs) bands (ev): 0.6962 0.6962 0.7347 0.7347 4.9194 4.9194 6.6774 6.6774 7.2494 7.2494 7.5913 7.5913 8.3566 8.3566 8.7212 8.7212 8.9751 8.9751 9.3470 9.3470 10.0790 10.0790 10.2726 10.2726 10.7158 10.7158 11.0891 11.0891 11.4216 11.4216 12.3030 12.3030 14.3863 14.3863 14.9431 14.9431 16.5740 16.5740 17.4403 17.4403 k = 0.4359 0.3997-0.0000 ( 2392 PWs) bands (ev): 0.7012 0.7012 0.7459 0.7459 4.9181 4.9181 6.6594 6.6594 7.2015 7.2015 7.6141 7.6141 8.3172 8.3172 8.6868 8.6868 9.0113 9.0113 9.3602 9.3602 10.1133 10.1133 10.3087 10.3087 10.7376 10.7376 11.0930 11.0930 11.4296 11.4296 12.3503 12.3503 14.2654 14.2654 14.7896 14.7896 16.5135 16.5135 17.4859 17.4859 k = 0.4295 0.4108-0.0000 ( 2404 PWs) bands (ev): 0.7065 0.7065 0.7580 0.7580 4.9162 4.9162 6.6413 6.6413 7.1496 7.1496 7.6389 7.6389 8.2808 8.2808 8.6528 8.6528 9.0503 9.0503 9.3757 9.3757 10.1432 10.1432 10.3402 10.3402 10.7649 10.7649 11.0986 11.0986 11.4377 11.4377 12.4003 12.4003 14.1376 14.1376 14.6381 14.6381 16.4614 16.4614 17.5362 17.5362 k = 0.4231 0.4219-0.0000 ( 2400 PWs) bands (ev): 0.7119 0.7119 0.7709 0.7709 4.9134 4.9134 6.6234 6.6234 7.0947 7.0947 7.6655 7.6655 8.2478 8.2478 8.6203 8.6203 9.0895 9.0895 9.3943 9.3943 10.1687 10.1687 10.3659 10.3659 10.7972 10.7972 11.1068 11.1068 11.4462 11.4462 12.4522 12.4522 14.0047 14.0047 14.4890 14.4890 16.4169 16.4169 17.5908 17.5908 k = 0.4167 0.4330-0.0000 ( 2400 PWs) bands (ev): 0.7176 0.7176 0.7842 0.7842 4.9096 4.9096 6.6062 6.6062 7.0381 7.0381 7.6936 7.6936 8.2183 8.2183 8.5899 8.5899 9.1271 9.1271 9.4167 9.4167 10.1899 10.1899 10.3859 10.3859 10.8326 10.8326 11.1187 11.1187 11.4554 11.4554 12.5051 12.5051 13.8684 13.8684 14.3431 14.3431 16.3793 16.3793 17.6493 17.6493 k = 0.4103 0.4441-0.0000 ( 2400 PWs) bands (ev): 0.7236 0.7236 0.7977 0.7977 4.9047 4.9047 6.5898 6.5898 6.9809 6.9809 7.7227 7.7227 8.1920 8.1920 8.5619 8.5619 9.1613 9.1613 9.4437 9.4437 10.2071 10.2071 10.4004 10.4004 10.8682 10.8682 11.1361 11.1361 11.4660 11.4660 12.5583 12.5583 13.7299 13.7299 14.2010 14.2010 16.3476 16.3476 17.7112 17.7112 k = 0.4038 0.4552-0.0000 ( 2404 PWs) bands (ev): 0.7299 0.7299 0.8112 0.8112 4.8987 4.8987 6.5744 6.5744 6.9244 6.9244 7.7526 7.7526 8.1687 8.1687 8.5367 8.5367 9.1913 9.1913 9.4752 9.4752 10.2205 10.2205 10.4104 10.4104 10.9006 10.9006 11.1602 11.1602 11.4791 11.4791 12.6108 12.6108 13.5905 13.5905 14.0638 14.0638 16.3211 16.3211 17.7757 17.7757 k = 0.3974 0.4663-0.0000 ( 2396 PWs) bands (ev): 0.7366 0.7366 0.8242 0.8242 4.8915 4.8915 6.5604 6.5604 6.8696 6.8696 7.7828 7.7828 8.1480 8.1480 8.5144 8.5144 9.2167 9.2167 9.5109 9.5109 10.2306 10.2306 10.4167 10.4167 10.9270 10.9270 11.1910 11.1910 11.4962 11.4962 12.6618 12.6618 13.4512 13.4512 13.9322 13.9322 16.2988 16.2988 17.8418 17.8418 k = 0.3910 0.4774-0.0000 ( 2392 PWs) bands (ev): 0.7436 0.7436 0.8366 0.8366 4.8833 4.8833 6.5477 6.5477 6.8177 6.8177 7.8127 7.8127 8.1295 8.1295 8.4955 8.4955 9.2376 9.2376 9.5496 9.5496 10.2376 10.2376 10.4200 10.4200 10.9467 10.9467 11.2261 11.2261 11.5197 11.5197 12.7106 12.7106 13.3131 13.3131 13.8075 13.8075 16.2802 16.2802 17.9082 17.9082 k = 0.3846 0.4885-0.0000 ( 2388 PWs) bands (ev): 0.7510 0.7510 0.8481 0.8481 4.8740 4.8740 6.5366 6.5366 6.7694 6.7694 7.8418 7.8418 8.1129 8.1129 8.4799 8.4799 9.2549 9.2549 9.5897 9.5897 10.2420 10.2420 10.4212 10.4212 10.9603 10.9603 11.2610 11.2610 11.5525 11.5525 12.7561 12.7561 13.1774 13.1774 13.6907 13.6907 16.2648 16.2648 17.9736 17.9736 k = 0.3782 0.4996-0.0000 ( 2388 PWs) bands (ev): 0.7586 0.7586 0.8582 0.8582 4.8640 4.8640 6.5272 6.5272 6.7256 6.7256 7.8696 7.8696 8.0979 8.0979 8.4677 8.4677 9.2691 9.2691 9.6297 9.6297 10.2443 10.2443 10.4205 10.4205 10.9694 10.9694 11.2912 11.2912 11.5967 11.5967 12.7966 12.7966 13.0461 13.0461 13.5829 13.5829 16.2520 16.2520 18.0362 18.0362 k = 0.3718 0.5107-0.0000 ( 2396 PWs) bands (ev): 0.7665 0.7665 0.8669 0.8669 4.8535 4.8535 6.5194 6.5194 6.6869 6.6869 7.8954 7.8954 8.0845 8.0845 8.4589 8.4589 9.2808 9.2808 9.6682 9.6682 10.2447 10.2447 10.4185 10.4185 10.9754 10.9754 11.3145 11.3145 11.6527 11.6527 12.8229 12.8229 12.9287 12.9287 13.4855 13.4855 16.2415 16.2415 18.0942 18.0942 k = 0.3654 0.5218-0.0000 ( 2392 PWs) bands (ev): 0.7745 0.7745 0.8737 0.8737 4.8431 4.8431 6.5132 6.5132 6.6536 6.6536 7.9185 7.9185 8.0726 8.0726 8.4532 8.4532 9.2904 9.2904 9.7038 9.7038 10.2439 10.2439 10.4155 10.4155 10.9792 10.9792 11.3309 11.3309 11.7186 11.7186 12.7664 12.7664 12.8942 12.8942 13.4000 13.4000 16.2331 16.2331 18.1458 18.1458 k = 0.3590 0.5329-0.0000 ( 2394 PWs) bands (ev): 0.7826 0.7826 0.8784 0.8784 4.8331 4.8331 6.5086 6.5086 6.6261 6.6261 7.9384 7.9384 8.0625 8.0625 8.4503 8.4503 9.2982 9.2982 9.7351 9.7351 10.2422 10.2422 10.4118 10.4118 10.9815 10.9815 11.3420 11.3420 11.7911 11.7911 12.6554 12.6554 12.9148 12.9148 13.3279 13.3279 16.2265 16.2265 18.1895 18.1895 k = 0.3526 0.5440-0.0000 ( 2390 PWs) bands (ev): 0.7905 0.7905 0.8811 0.8811 4.8242 4.8242 6.5052 6.5052 6.6047 6.6047 7.9542 7.9542 8.0544 8.0544 8.4496 8.4496 9.3043 9.3043 9.7611 9.7611 10.2400 10.2400 10.4079 10.4079 10.9828 10.9828 11.3491 11.3491 11.8666 11.8666 12.5465 12.5465 12.9348 12.9348 13.2715 13.2715 16.2215 16.2215 18.2239 18.2239 k = 0.3462 0.5551-0.0000 ( 2390 PWs) bands (ev): 0.7976 0.7976 0.8818 0.8818 4.8170 4.8170 6.5029 6.5029 6.5897 6.5897 7.9653 7.9653 8.0488 8.0488 8.4502 8.4502 9.3088 9.3088 9.7808 9.7808 10.2380 10.2380 10.4044 10.4044 10.9835 10.9835 11.3534 11.3534 11.9397 11.9397 12.4493 12.4493 12.9480 12.9480 13.2323 13.2323 16.2180 16.2180 18.2482 18.2482 k = 0.3397 0.5662-0.0000 ( 2388 PWs) bands (ev): 0.8031 0.8031 0.8812 0.8812 4.8122 4.8122 6.5015 6.5015 6.5809 6.5809 7.9716 7.9716 8.0460 8.0460 8.4513 8.4513 9.3116 9.3116 9.7931 9.7931 10.2365 10.2365 10.4017 10.4017 10.9837 10.9837 11.3557 11.3557 11.9998 11.9998 12.3746 12.3746 12.9539 12.9539 13.2108 13.2108 16.2160 16.2160 18.2625 18.2625 k = 0.3333 0.5774-0.0000 ( 2388 PWs) bands (ev): 0.8054 0.8054 0.8806 0.8806 4.8105 4.8105 6.5010 6.5010 6.5781 6.5781 7.9734 7.9734 8.0453 8.0453 8.4519 8.4519 9.3125 9.3125 9.7973 9.7973 10.2359 10.2359 10.4007 10.4007 10.9838 10.9838 11.3563 11.3563 12.0251 12.0251 12.3443 12.3443 12.9549 12.9549 13.2045 13.2045 16.2153 16.2153 18.2670 18.2670 k = 0.3333 0.5774-0.0000 ( 2388 PWs) bands (ev): 0.8054 0.8054 0.8806 0.8806 4.8105 4.8105 6.5010 6.5010 6.5781 6.5781 7.9734 7.9734 8.0453 8.0453 8.4519 8.4519 9.3125 9.3125 9.7973 9.7973 10.2359 10.2359 10.4007 10.4007 10.9838 10.9838 11.3563 11.3563 12.0251 12.0251 12.3443 12.3443 12.9549 12.9549 13.2045 13.2045 16.2153 16.2153 18.2670 18.2670 k = 0.3268 0.5660-0.0000 ( 2392 PWs) bands (ev): 0.8023 0.8023 0.8819 0.8819 4.8125 4.8125 6.5016 6.5016 6.5807 6.5807 7.9720 7.9720 8.0455 8.0455 8.4510 8.4510 9.3114 9.3114 9.7928 9.7928 10.2366 10.2366 10.4019 10.4019 10.9838 10.9838 11.3557 11.3557 12.0005 12.0005 12.3742 12.3742 12.9555 12.9555 13.2094 13.2094 16.2160 16.2160 18.2627 18.2627 k = 0.3203 0.5547-0.0000 ( 2396 PWs) bands (ev): 0.7919 0.7919 0.8867 0.8867 4.8189 4.8189 6.5039 6.5039 6.5882 6.5882 7.9686 7.9686 8.0452 8.0452 8.4477 8.4477 9.3079 9.3079 9.7795 9.7795 10.2390 10.2390 10.4060 10.4060 10.9840 10.9840 11.3541 11.3541 11.9466 11.9466 12.4438 12.4438 12.9599 12.9599 13.2212 13.2212 16.2181 16.2181 18.2505 18.2505 k = 0.3137 0.5434-0.0000 ( 2400 PWs) bands (ev): 0.7744 0.7744 0.8948 0.8948 4.8304 4.8304 6.5081 6.5081 6.5996 6.5996 7.9641 7.9641 8.0436 8.0436 8.4415 8.4415 9.3015 9.3015 9.7580 9.7580 10.2432 10.2432 10.4131 10.4131 10.9847 10.9847 11.3518 11.3518 11.8864 11.8864 12.5306 12.5306 12.9706 12.9706 13.2371 13.2371 16.2216 16.2216 18.2318 18.2318 k = 0.3072 0.5321-0.0000 ( 2400 PWs) bands (ev): 0.7505 0.7505 0.9055 0.9055 4.8472 4.8472 6.5143 6.5143 6.6146 6.6146 7.9583 7.9583 8.0401 8.0401 8.4322 8.4322 9.2915 9.2915 9.7297 9.7297 10.2492 10.2492 10.4227 10.4227 10.9860 10.9860 11.3490 11.3490 11.8297 11.8297 12.6249 12.6249 12.9887 12.9887 13.2556 13.2556 16.2266 16.2266 18.2080 18.2080 k = 0.3007 0.5207-0.0000 ( 2404 PWs) bands (ev): 0.7210 0.7210 0.9180 0.9180 4.8698 4.8698 6.5223 6.5223 6.6327 6.6327 7.9506 7.9506 8.0351 8.0351 8.4199 8.4199 9.2771 9.2771 9.6963 9.6963 10.2571 10.2571 10.4342 10.4342 10.9883 10.9883 11.3465 11.3465 11.7805 11.7805 12.7229 12.7229 13.0143 13.0143 13.2758 13.2758 16.2331 16.2331 18.1803 18.1803 k = 0.2941 0.5094-0.0000 ( 2400 PWs) bands (ev): 0.6863 0.6863 0.9318 0.9318 4.8983 4.8983 6.5321 6.5321 6.6537 6.6537 7.9393 7.9393 8.0294 8.0294 8.4053 8.4053 9.2569 9.2569 9.6604 9.6604 10.2665 10.2665 10.4466 10.4466 10.9917 10.9917 11.3450 11.3450 11.7406 11.7406 12.8227 12.8227 13.0470 13.0470 13.2976 13.2976 16.2413 16.2413 18.1497 18.1497 k = 0.2876 0.4981-0.0000 ( 2390 PWs) bands (ev): 0.6471 0.6471 0.9468 0.9468 4.9328 4.9328 6.5433 6.5433 6.6773 6.6773 7.9220 7.9220 8.0247 8.0247 8.3893 8.3893 9.2296 9.2296 9.6247 9.6247 10.2772 10.2772 10.4588 10.4588 10.9963 10.9963 11.3457 11.3457 11.7106 11.7106 12.9230 12.9230 13.0858 13.0858 13.3212 13.3212 16.2512 16.2512 18.1172 18.1172 k = 0.2810 0.4868-0.0000 ( 2402 PWs) bands (ev): 0.6036 0.6036 0.9626 0.9626 4.9734 4.9734 6.5557 6.5557 6.7034 6.7034 7.8965 7.8965 8.0225 8.0225 8.3730 8.3730 9.1938 9.1938 9.5917 9.5917 10.2883 10.2883 10.4702 10.4702 11.0019 11.0019 11.3498 11.3498 11.6908 11.6908 13.0228 13.0228 13.1301 13.1301 13.3469 13.3469 16.2629 16.2629 18.0834 18.0834 k = 0.2745 0.4755-0.0000 ( 2402 PWs) bands (ev): 0.5563 0.5563 0.9794 0.9794 5.0200 5.0200 6.5690 6.5690 6.7318 6.7318 7.8617 7.8617 8.0235 8.0235 8.3572 8.3572 9.1488 9.1488 9.5635 9.5635 10.2990 10.2990 10.4804 10.4804 11.0079 11.0079 11.3583 11.3583 11.6814 11.6814 13.1199 13.1199 13.1796 13.1796 13.3755 13.3755 16.2767 16.2767 18.0490 18.0490 k = 0.2680 0.4641-0.0000 ( 2402 PWs) bands (ev): 0.5054 0.5054 0.9969 0.9969 5.0724 5.0724 6.5829 6.5829 6.7624 6.7624 7.8178 7.8178 8.0274 8.0274 8.3428 8.3428 9.0947 9.0947 9.5410 9.5410 10.3081 10.3081 10.4900 10.4900 11.0138 11.0138 11.3712 11.3712 11.6830 11.6830 13.2061 13.2061 13.2400 13.2400 13.4085 13.4085 16.2926 16.2926 18.0143 18.0143 k = 0.2614 0.4528-0.0000 ( 2402 PWs) bands (ev): 0.4514 0.4514 1.0151 1.0151 5.1303 5.1303 6.5972 6.5972 6.7949 6.7949 7.7654 7.7654 8.0339 8.0339 8.3301 8.3301 9.0327 9.0327 9.5243 9.5243 10.3140 10.3140 10.5004 10.5004 11.0189 11.0189 11.3877 11.3877 11.6966 11.6966 13.2679 13.2679 13.3207 13.3207 13.4488 13.4488 16.3108 16.3108 17.9798 17.9798 k = 0.2549 0.4415-0.0000 ( 2398 PWs) bands (ev): 0.3947 0.3947 1.0341 1.0341 5.1934 5.1934 6.6116 6.6116 6.8293 6.8293 7.7056 7.7056 8.0425 8.0425 8.3193 8.3193 8.9641 8.9641 9.5129 9.5129 10.3152 10.3152 10.5133 10.5133 11.0230 11.0230 11.4055 11.4055 11.7235 11.7235 13.3206 13.3206 13.3995 13.3995 13.5022 13.5022 16.3316 16.3316 17.9456 17.9456 k = 0.2484 0.4302-0.0000 ( 2394 PWs) bands (ev): 0.3356 0.3356 1.0537 1.0537 5.2615 5.2615 6.6258 6.6258 6.8652 6.8652 7.6398 7.6398 8.0529 8.0529 8.3104 8.3104 8.8905 8.8905 9.5061 9.5061 10.3110 10.3110 10.5299 10.5299 11.0261 11.0261 11.4225 11.4225 11.7642 11.7642 13.3704 13.3704 13.4642 13.4642 13.5736 13.5736 16.3551 16.3551 17.9120 17.9120 k = 0.2418 0.4189-0.0000 ( 2396 PWs) bands (ev): 0.2745 0.2745 1.0741 1.0741 5.3341 5.3341 6.6397 6.6397 6.9023 6.9023 7.5691 7.5691 8.0648 8.0648 8.3034 8.3034 8.8134 8.8134 9.5033 9.5033 10.3014 10.3014 10.5508 10.5508 11.0282 11.0282 11.4375 11.4375 11.8185 11.8185 13.4182 13.4182 13.5189 13.5189 13.6570 13.6570 16.3817 16.3817 17.8791 17.8791 k = 0.2353 0.4075-0.0000 ( 2390 PWs) bands (ev): 0.2118 0.2118 1.0951 1.0951 5.4107 5.4107 6.6531 6.6531 6.9400 6.9400 7.4951 7.4951 8.0778 8.0778 8.2982 8.2982 8.7341 8.7341 9.5041 9.5041 10.2873 10.2873 10.5757 10.5757 11.0298 11.0298 11.4501 11.4501 11.8849 11.8849 13.4645 13.4645 13.5703 13.5703 13.7444 13.7444 16.4115 16.4115 17.8470 17.8470 k = 0.2288 0.3962-0.0000 ( 2386 PWs) bands (ev): 0.1478 0.1478 1.1167 1.1167 5.4910 5.4910 6.6658 6.6658 6.9772 6.9772 7.4196 7.4196 8.0914 8.0914 8.2949 8.2949 8.6537 8.6537 9.5081 9.5081 10.2697 10.2697 10.6041 10.6041 11.0309 11.0309 11.4607 11.4607 11.9613 11.9613 13.5101 13.5101 13.6207 13.6207 13.8315 13.8315 16.4449 16.4449 17.8157 17.8157 k = 0.2222 0.3849-0.0000 ( 2390 PWs) bands (ev): 0.0829 0.0829 1.1389 1.1389 5.5743 5.5743 6.6777 6.6777 7.0119 7.0119 7.3453 7.3453 8.1053 8.1053 8.2933 8.2933 8.5735 8.5735 9.5153 9.5153 10.2497 10.2497 10.6354 10.6354 11.0319 11.0319 11.4699 11.4699 12.0456 12.0456 13.5561 13.5561 13.6703 13.6703 13.9164 13.9164 16.4822 16.4822 17.7853 17.7853 k = 0.2157 0.3736-0.0000 ( 2390 PWs) bands (ev): 0.0173 0.0173 1.1618 1.1618 5.6602 5.6602 6.6885 6.6885 7.0384 7.0384 7.2783 7.2783 8.1188 8.1188 8.2927 8.2927 8.4956 8.4956 9.5254 9.5254 10.2280 10.2280 10.6690 10.6690 11.0329 11.0329 11.4781 11.4781 12.1360 12.1360 13.6030 13.6030 13.7188 13.7188 13.9980 13.9980 16.5236 16.5236 17.7557 17.7557 k = 0.2092 0.3623-0.0000 ( 2390 PWs) bands (ev): -0.0485 -0.0485 1.1851 1.1851 5.7481 5.7481 6.6983 6.6983 7.0416 7.0416 7.2341 7.2341 8.1315 8.1315 8.2893 8.2893 8.4249 8.4249 9.5385 9.5385 10.2052 10.2052 10.7045 10.7045 11.0340 11.0340 11.4857 11.4857 12.2308 12.2308 13.6511 13.6511 13.7659 13.7659 14.0754 14.0754 16.5694 16.5694 17.7268 17.7268 k = 0.2026 0.3509-0.0000 ( 2388 PWs) bands (ev): -0.1145 -0.1145 1.2091 1.2091 5.8374 5.8374 6.7069 6.7069 7.0047 7.0047 7.2295 7.2295 8.1431 8.1431 8.2683 8.2683 8.3773 8.3773 9.5544 9.5544 10.1819 10.1819 10.7415 10.7415 11.0353 11.0353 11.4932 11.4932 12.3286 12.3286 13.7005 13.7005 13.8117 13.8117 14.1480 14.1480 16.6199 16.6199 17.6985 17.6985 k = 0.1961 0.3396-0.0000 ( 2388 PWs) bands (ev): -0.1802 -0.1802 1.2334 1.2334 5.9273 5.9273 6.7143 6.7143 6.9397 6.9397 7.2525 7.2525 8.1535 8.1535 8.2159 8.2159 8.3677 8.3677 9.5733 9.5733 10.1585 10.1585 10.7795 10.7795 11.0370 11.0370 11.5006 11.5006 12.4285 12.4285 13.7506 13.7506 13.8568 13.8568 14.2150 14.2150 16.6753 16.6753 17.6708 17.6708 k = 0.1895 0.3283-0.0000 ( 2402 PWs) bands (ev): -0.2454 -0.2454 1.2583 1.2583 6.0173 6.0173 6.7204 6.7204 6.8640 6.8640 7.2853 7.2853 8.1490 8.1490 8.1637 8.1637 8.3794 8.3794 9.5950 9.5950 10.1353 10.1353 10.8182 10.8182 11.0391 11.0391 11.5081 11.5081 12.5292 12.5292 13.8001 13.8001 13.9026 13.9026 14.2758 14.2758 16.7357 16.7357 17.6434 17.6434 k = 0.1830 0.3170-0.0000 ( 2400 PWs) bands (ev): -0.3100 -0.3100 1.2835 1.2835 6.1064 6.1064 6.7251 6.7251 6.7852 6.7852 7.3198 7.3198 8.0824 8.0824 8.1727 8.1727 8.4002 8.4002 9.6197 9.6197 10.1125 10.1125 10.8570 10.8570 11.0420 11.0420 11.5158 11.5158 12.6301 12.6301 13.8468 13.8468 13.9513 13.9513 14.3298 14.3298 16.8011 16.8011 17.6162 17.6162 k = 0.1765 0.3057-0.0000 ( 2404 PWs) bands (ev): -0.3737 -0.3737 1.3091 1.3091 6.1937 6.1937 6.7042 6.7042 6.7303 6.7303 7.3520 7.3520 8.0198 8.0198 8.1824 8.1824 8.4264 8.4264 9.6475 9.6475 10.0903 10.0903 10.8952 10.8952 11.0460 11.0460 11.5237 11.5237 12.7302 12.7302 13.8889 13.8889 14.0051 14.0051 14.3766 14.3766 16.8711 16.8711 17.5888 17.5888 k = 0.1699 0.2943-0.0000 ( 2404 PWs) bands (ev): -0.4362 -0.4362 1.3350 1.3350 6.2777 6.2777 6.6266 6.6266 6.7323 6.7323 7.3782 7.3782 7.9652 7.9652 8.1931 8.1931 8.4566 8.4566 9.6783 9.6783 10.0690 10.0690 10.9318 10.9318 11.0520 11.0520 11.5320 11.5320 12.8288 12.8288 13.9253 13.9253 14.0653 14.0653 14.4157 14.4157 16.9451 16.9451 17.5611 17.5611 k = 0.1634 0.2830-0.0000 ( 2400 PWs) bands (ev): -0.4976 -0.4976 1.3611 1.3611 6.3553 6.3553 6.5527 6.5527 6.7341 6.7341 7.3944 7.3944 7.9224 7.9224 8.2052 8.2052 8.4901 8.4901 9.7123 9.7123 10.0487 10.0487 10.9648 10.9648 11.0617 11.0617 11.5407 11.5407 12.9255 12.9255 13.9568 13.9568 14.1313 14.1313 14.4467 14.4467 17.0214 17.0214 17.5329 17.5329 k = 0.1569 0.2717-0.0000 ( 2392 PWs) bands (ev): -0.5575 -0.5575 1.3874 1.3874 6.4071 6.4071 6.5017 6.5017 6.7357 6.7357 7.3968 7.3968 7.8954 7.8954 8.2193 8.2193 8.5265 8.5265 9.7495 9.7495 10.0296 10.0296 10.9912 10.9912 11.0778 11.0778 11.5497 11.5497 13.0196 13.0196 13.9845 13.9845 14.2022 14.2022 14.4697 14.4697 17.0962 17.0962 17.5045 17.5045 k = 0.1503 0.2604-0.0000 ( 2392 PWs) bands (ev): -0.6159 -0.6159 1.4138 1.4138 6.3727 6.3727 6.5327 6.5327 6.7379 6.7379 7.3831 7.3831 7.8863 7.8863 8.2354 8.2354 8.5655 8.5655 9.7898 9.7898 10.0121 10.0121 11.0089 11.0089 11.1022 11.1022 11.5592 11.5592 13.1106 13.1106 14.0095 14.0095 14.2772 14.2772 14.4847 14.4847 17.1611 17.1611 17.4784 17.4784 k = 0.1438 0.2491-0.0000 ( 2396 PWs) bands (ev): -0.6726 -0.6726 1.4402 1.4402 6.3060 6.3060 6.5893 6.5893 6.7434 6.7434 7.3543 7.3543 7.8938 7.8938 8.2537 8.2537 8.6069 8.6069 9.8329 9.8329 9.9967 9.9967 11.0197 11.0197 11.1329 11.1329 11.5689 11.5689 13.1982 13.1982 14.0325 14.0325 14.3553 14.3553 14.4922 14.4922 17.1993 17.1993 17.4600 17.4600 k = 0.1373 0.2377-0.0000 ( 2392 PWs) bands (ev): -0.7275 -0.7275 1.4666 1.4666 6.2369 6.2369 6.6358 6.6358 6.7574 6.7574 7.3140 7.3140 7.9145 7.9145 8.2741 8.2741 8.6504 8.6504 9.8773 9.8773 9.9851 9.9851 11.0267 11.0267 11.1667 11.1667 11.5791 11.5791 13.2821 13.2821 14.0540 14.0540 14.4337 14.4337 14.4951 14.4951 17.1925 17.1925 17.4484 17.4484 k = 0.1307 0.2264-0.0000 ( 2390 PWs) bands (ev): -0.7804 -0.7804 1.4927 1.4927 6.1692 6.1692 6.6621 6.6621 6.7864 6.7864 7.2664 7.2664 7.9440 7.9440 8.2964 8.2964 8.6959 8.6959 9.9159 9.9159 9.9846 9.9846 11.0317 11.0317 11.2015 11.2015 11.5896 11.5896 13.3621 13.3621 14.0745 14.0745 14.4745 14.4745 14.5317 14.5317 17.1448 17.1448 17.4273 17.4273 k = 0.1242 0.2151-0.0000 ( 2390 PWs) bands (ev): -0.8314 -0.8314 1.5187 1.5187 6.1036 6.1036 6.6710 6.6710 6.8268 6.8268 7.2146 7.2146 7.9790 7.9790 8.3202 8.3202 8.7431 8.7431 9.9302 9.9302 10.0139 10.0139 11.0357 11.0357 11.2362 11.2362 11.6004 11.6004 13.4380 13.4380 14.0940 14.0940 14.4660 14.4660 14.6145 14.6145 17.0731 17.0731 17.3911 17.3911 k = 0.1176 0.2038-0.0000 ( 2386 PWs) bands (ev): -0.8801 -0.8801 1.5443 1.5443 6.0405 6.0405 6.6711 6.6711 6.8699 6.8699 7.1610 7.1610 8.0171 8.0171 8.3452 8.3452 8.7917 8.7917 9.9271 9.9271 10.0659 10.0659 11.0391 11.0391 11.2704 11.2704 11.6115 11.6115 13.5098 13.5098 14.1118 14.1118 14.4501 14.4501 14.7027 14.7027 16.9898 16.9898 17.3443 17.3443 k = 0.1111 0.1925-0.0000 ( 2376 PWs) bands (ev): -0.9267 -0.9267 1.5694 1.5694 5.9802 5.9802 6.6671 6.6671 6.9111 6.9111 7.1070 7.1070 8.0566 8.0566 8.3710 8.3710 8.8413 8.8413 9.9210 9.9210 10.1264 10.1264 11.0421 11.0421 11.3038 11.3038 11.6231 11.6231 13.5773 13.5773 14.1271 14.1271 14.4324 14.4324 14.7929 14.7929 16.9014 16.9014 17.2889 17.2889 k = 0.1046 0.1811-0.0000 ( 2372 PWs) bands (ev): -0.9710 -0.9710 1.5940 1.5940 5.9228 5.9228 6.6609 6.6609 6.9488 6.9488 7.0538 7.0538 8.0964 8.0964 8.3971 8.3971 8.8913 8.8913 9.9154 9.9154 10.1915 10.1915 11.0449 11.0449 11.3361 11.3361 11.6353 11.6353 13.6405 13.6405 14.1374 14.1374 14.4166 14.4166 14.8844 14.8844 16.8114 16.8114 17.2242 17.2242 k = 0.0980 0.1698-0.0000 ( 2372 PWs) bands (ev): -1.0129 -1.0129 1.6179 1.6179 5.8685 5.8685 6.6534 6.6534 6.9817 6.9817 7.0028 7.0028 8.1355 8.1355 8.4233 8.4233 8.9410 8.9410 9.9113 9.9113 10.2596 10.2596 11.0474 11.0474 11.3671 11.3671 11.6485 11.6485 13.6995 13.6995 14.1397 14.1397 14.4074 14.4074 14.9763 14.9763 16.7221 16.7221 17.1485 17.1485 k = 0.0915 0.1585-0.0000 ( 2370 PWs) bands (ev): -1.0524 -1.0524 1.6410 1.6410 5.8173 5.8173 6.6452 6.6452 6.9514 6.9514 7.0130 7.0130 8.1733 8.1733 8.4491 8.4491 8.9900 8.9900 9.9093 9.9093 10.3299 10.3299 11.0498 11.0498 11.3964 11.3964 11.6633 11.6633 13.7541 13.7541 14.1312 14.1312 14.4089 14.4089 15.0682 15.0682 16.6347 16.6347 17.0606 17.0606 k = 0.0850 0.1472-0.0000 ( 2366 PWs) bands (ev): -1.0894 -1.0894 1.6632 1.6632 5.7694 5.7694 6.6366 6.6366 6.9040 6.9040 7.0388 7.0388 8.2092 8.2092 8.4745 8.4745 9.0373 9.0373 9.9094 9.9094 10.4012 10.4012 11.0520 11.0520 11.4235 11.4235 11.6804 11.6804 13.8043 13.8043 14.1113 14.1113 14.4229 14.4229 15.1591 15.1591 16.5501 16.5501 16.9597 16.9597 k = 0.0784 0.1358-0.0000 ( 2362 PWs) bands (ev): -1.1239 -1.1239 1.6844 1.6844 5.7247 5.7247 6.6276 6.6276 6.8591 6.8591 7.0614 7.0614 8.2429 8.2429 8.4991 8.4991 9.0824 9.0824 9.9117 9.9117 10.4725 10.4725 11.0540 11.0540 11.4477 11.4477 11.7011 11.7011 13.8501 13.8501 14.0827 14.0827 14.4479 14.4479 15.2484 15.2484 16.4690 16.4690 16.8467 16.8467 k = 0.0719 0.1245-0.0000 ( 2362 PWs) bands (ev): -1.1558 -1.1558 1.7044 1.7044 5.6835 5.6835 6.6186 6.6186 6.8173 6.8173 7.0808 7.0808 8.2739 8.2739 8.5228 8.5228 9.1246 9.1246 9.9164 9.9164 10.5425 10.5425 11.0557 11.0557 11.4680 11.4680 11.7265 11.7265 13.8913 13.8913 14.0485 14.0485 14.4816 14.4816 15.3352 15.3352 16.3917 16.3917 16.7235 16.7235 k = 0.0654 0.1132-0.0000 ( 2366 PWs) bands (ev): -1.1850 -1.1850 1.7232 1.7232 5.6456 5.6456 6.6095 6.6095 6.7787 6.7787 7.0976 7.0976 8.3020 8.3020 8.5455 8.5455 9.1635 9.1635 9.9232 9.9232 10.6101 10.6101 11.0570 11.0570 11.4840 11.4840 11.7574 11.7574 13.9282 13.9282 14.0117 14.0117 14.5218 14.5218 15.4185 15.4185 16.3187 16.3187 16.5932 16.5932 k = 0.0588 0.1019-0.0000 ( 2368 PWs) bands (ev): -1.2116 -1.2116 1.7406 1.7406 5.6112 5.6112 6.6005 6.6005 6.7437 6.7437 7.1118 7.1118 8.3271 8.3271 8.5670 8.5670 9.1986 9.1986 9.9319 9.9319 10.6741 10.6741 11.0579 11.0579 11.4954 11.4954 11.7940 11.7940 13.9607 13.9607 13.9746 13.9746 14.5665 14.5665 15.4973 15.4973 16.2502 16.2502 16.4598 16.4598 k = 0.0523 0.0906-0.0000 ( 2368 PWs) bands (ev): -1.2355 -1.2355 1.7565 1.7565 5.5803 5.5803 6.5916 6.5916 6.7125 6.7125 7.1239 7.1239 8.3492 8.3492 8.5871 8.5871 9.2296 9.2296 9.9421 9.9421 10.7334 10.7334 11.0583 11.0583 11.5026 11.5026 11.8357 11.8357 13.9388 13.9388 13.9890 13.9890 14.6142 14.6142 15.5702 15.5702 16.1860 16.1860 16.3276 16.3276 k = 0.0458 0.0792-0.0000 ( 2366 PWs) bands (ev): -1.2566 -1.2566 1.7708 1.7708 5.5530 5.5530 6.5827 6.5827 6.6854 6.6854 7.1340 7.1340 8.3683 8.3683 8.6055 8.6055 9.2566 9.2566 9.9534 9.9534 10.7875 10.7875 11.0579 11.0579 11.5062 11.5062 11.8811 11.8811 13.9055 13.9055 14.0133 14.0133 14.6632 14.6632 15.6358 15.6358 16.1242 16.1242 16.2035 16.2035 k = 0.0392 0.0679-0.0000 ( 2377 PWs) bands (ev): -1.2750 -1.2750 1.7834 1.7834 5.5293 5.5293 6.5740 6.5740 6.6625 6.6625 7.1423 7.1423 8.3845 8.3845 8.6221 8.6221 9.2794 9.2794 9.9652 9.9652 10.8358 10.8358 11.0567 11.0567 11.5071 11.5071 11.9281 11.9281 13.8758 13.8758 14.0338 14.0338 14.7120 14.7120 15.6920 15.6920 16.0495 16.0495 16.1076 16.1076 k = 0.0327 0.0566-0.0000 ( 2381 PWs) bands (ev): -1.2905 -1.2905 1.7943 1.7943 5.5092 5.5092 6.5653 6.5653 6.6441 6.6441 7.1492 7.1492 8.3978 8.3978 8.6366 8.6366 9.2983 9.2983 9.9767 9.9767 10.8783 10.8783 11.0542 11.0542 11.5062 11.5062 11.9743 11.9743 13.8502 13.8502 14.0507 14.0507 14.7586 14.7586 15.7353 15.7353 15.9539 15.9539 16.0547 16.0547 k = 0.0261 0.0453-0.0000 ( 2379 PWs) bands (ev): -1.3033 -1.3033 1.8032 1.8032 5.4926 5.4926 6.5572 6.5572 6.6298 6.6298 7.1545 7.1545 8.4086 8.4086 8.6488 8.6488 9.3134 9.3134 9.9873 9.9873 10.9151 10.9151 11.0504 11.0504 11.5041 11.5041 12.0171 12.0171 13.8293 13.8293 14.0642 14.0642 14.8011 14.8011 15.7568 15.7568 15.8724 15.8724 16.0218 16.0218 k = 0.0196 0.0340-0.0000 ( 2379 PWs) bands (ev): -1.3133 -1.3133 1.8103 1.8103 5.4798 5.4798 6.5500 6.5500 6.6195 6.6195 7.1586 7.1586 8.4167 8.4167 8.6584 8.6584 9.3248 9.3248 9.9963 9.9963 10.9463 10.9463 11.0448 11.0448 11.5017 11.5017 12.0538 12.0538 13.8132 13.8132 14.0746 14.0746 14.8374 14.8374 15.7359 15.7359 15.8349 15.8349 16.0031 16.0031 k = 0.0131 0.0226-0.0000 ( 2383 PWs) bands (ev): -1.3204 -1.3204 1.8154 1.8154 5.4706 5.4706 6.5443 6.5443 6.6126 6.6126 7.1615 7.1615 8.4225 8.4225 8.6655 8.6655 9.3329 9.3329 10.0031 10.0031 10.9723 10.9723 11.0371 11.0371 11.4995 11.4995 12.0821 12.0821 13.8019 13.8019 14.0819 14.0819 14.8653 14.8653 15.6914 15.6914 15.8284 15.8284 15.9959 15.9959 k = 0.0065 0.0113-0.0000 ( 2391 PWs) bands (ev): -1.3246 -1.3246 1.8184 1.8184 5.4651 5.4651 6.5407 6.5407 6.6086 6.6086 7.1632 7.1632 8.4259 8.4259 8.6697 8.6697 9.3376 9.3376 10.0074 10.0074 10.9932 10.9932 11.0271 11.0271 11.4980 11.4980 12.0999 12.0999 13.7953 13.7953 14.0862 14.0862 14.8829 14.8829 15.6588 15.6588 15.8256 15.8256 15.9950 15.9950 k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -1.3261 -1.3261 1.8195 1.8195 5.4632 5.4632 6.5394 6.5394 6.6073 6.6073 7.1637 7.1637 8.4271 8.4271 8.6711 8.6711 9.3392 9.3392 10.0089 10.0089 11.0055 11.0055 11.0185 11.0185 11.4975 11.4975 12.1060 12.1060 13.7931 13.7931 14.0876 14.0876 14.8890 14.8890 15.6474 15.6474 15.8244 15.8244 15.9953 15.9953 k = 0.0000 0.0000 0.0000 ( 2391 PWs) bands (ev): -1.3261 -1.3261 1.8195 1.8195 5.4632 5.4632 6.5394 6.5394 6.6073 6.6073 7.1637 7.1637 8.4271 8.4271 8.6711 8.6711 9.3392 9.3392 10.0089 10.0089 11.0055 11.0055 11.0185 11.0185 11.4975 11.4975 12.1060 12.1060 13.7931 13.7931 14.0876 14.0876 14.8890 14.8890 15.6474 15.6474 15.8244 15.8244 15.9953 15.9953 k = 0.0000 0.0000 0.0130 ( 2391 PWs) bands (ev): -1.3246 -1.3246 1.8143 1.8143 5.4699 5.4699 6.5408 6.5408 6.6086 6.6086 7.1660 7.1660 8.4272 8.4272 8.6723 8.6723 9.3373 9.3373 9.9983 9.9983 10.9526 10.9526 11.0804 11.0804 11.4843 11.4843 12.1209 12.1209 13.7794 13.7794 14.0661 14.0661 14.9080 14.9080 15.6601 15.6601 15.8232 15.8232 15.9934 15.9934 k = 0.0000 0.0000 0.0260 ( 2385 PWs) bands (ev): -1.3204 -1.3204 1.7989 1.7989 5.4896 5.4896 6.5448 6.5448 6.6123 6.6123 7.1728 7.1728 8.4277 8.4277 8.6757 8.6757 9.3316 9.3316 9.9675 9.9675 10.9020 10.9020 11.1571 11.1571 11.4482 11.4482 12.1621 12.1621 13.7394 13.7394 14.0069 14.0069 14.9601 14.9601 15.6972 15.6972 15.8196 15.8196 15.9877 15.9877 k = 0.0000 0.0000 0.0390 ( 2379 PWs) bands (ev): -1.3133 -1.3133 1.7736 1.7736 5.5220 5.5220 6.5516 6.5516 6.6184 6.6184 7.1841 7.1841 8.4285 8.4285 8.6815 8.6815 9.3223 9.3223 9.9191 9.9191 10.8580 10.8580 11.2418 11.2418 11.3959 11.3959 12.2227 12.2227 13.6764 13.6764 13.9202 13.9202 15.0347 15.0347 15.7556 15.7556 15.8136 15.8136 15.9781 15.9781 k = 0.0000 0.0000 0.0521 ( 2367 PWs) bands (ev): -1.3033 -1.3033 1.7391 1.7391 5.5666 5.5666 6.5610 6.5610 6.6271 6.6271 7.1999 7.1999 8.4292 8.4292 8.6895 8.6895 9.3097 9.3097 9.8564 9.8564 10.8186 10.8186 11.3327 11.3327 11.3338 11.3338 12.2963 12.2963 13.5945 13.5945 13.8154 13.8154 15.1231 15.1231 15.8051 15.8051 15.8312 15.8312 15.9647 15.9647 k = 0.0000 0.0000 0.0651 ( 2373 PWs) bands (ev): -1.2906 -1.2906 1.6959 1.6959 5.6226 5.6226 6.5732 6.5732 6.6381 6.6381 7.2200 7.2200 8.4297 8.4297 8.6998 8.6998 9.2944 9.2944 9.7827 9.7827 10.7820 10.7820 11.2660 11.2660 11.4283 11.4283 12.3787 12.3787 13.4980 13.4980 13.6984 13.6984 15.2193 15.2193 15.7942 15.7942 15.9201 15.9201 15.9474 15.9474 k = 0.0000 0.0000 0.0781 ( 2361 PWs) bands (ev): -1.2750 -1.2750 1.6450 1.6450 5.6890 5.6890 6.5880 6.5880 6.6517 6.6517 7.2445 7.2445 8.4296 8.4296 8.7123 8.7123 9.2768 9.2768 9.7010 9.7010 10.7466 10.7466 11.1951 11.1951 11.5270 11.5270 12.4671 12.4671 13.3911 13.3911 13.5730 13.5730 15.3201 15.3201 15.7808 15.7808 15.9264 15.9264 16.0188 16.0188 k = 0.0000 0.0000 0.0911 ( 2349 PWs) bands (ev): -1.2566 -1.2566 1.5872 1.5872 5.7651 5.7651 6.6055 6.6055 6.6676 6.6676 7.2731 7.2731 8.4285 8.4285 8.7271 8.7271 9.2577 9.2577 9.6136 9.6136 10.7111 10.7111 11.1226 11.1226 11.6268 11.6268 12.5597 12.5597 13.2774 13.2774 13.4414 13.4414 15.4233 15.4233 15.7650 15.7650 15.9017 15.9017 16.1242 16.1242 k = 0.0000 0.0000 0.1041 ( 2349 PWs) bands (ev): -1.2354 -1.2354 1.5233 1.5233 5.8497 5.8497 6.6258 6.6258 6.6859 6.6859 7.3058 7.3058 8.4257 8.4257 8.7441 8.7441 9.2381 9.2381 9.5222 9.5222 10.6748 10.6748 11.0494 11.0494 11.7257 11.7257 12.6555 12.6555 13.1606 13.1606 13.3053 13.3053 15.5276 15.5276 15.7466 15.7466 15.8736 15.8736 16.2341 16.2341 k = 0.0000 0.0000 0.1171 ( 2343 PWs) bands (ev): -1.2114 -1.2114 1.4543 1.4543 5.9420 5.9420 6.6487 6.6487 6.7067 6.7067 7.3424 7.3424 8.4207 8.4207 8.7634 8.7634 9.2187 9.2187 9.4282 9.4282 10.6373 10.6373 10.9761 10.9761 11.8208 11.8208 12.7536 12.7536 13.0448 13.0448 13.1656 13.1656 15.6311 15.6311 15.7256 15.7256 15.8434 15.8434 16.3467 16.3467 k = 0.0000 0.0000 0.1301 ( 2361 PWs) bands (ev): -1.1847 -1.1847 1.3808 1.3808 6.0410 6.0410 6.6744 6.6744 6.7298 6.7298 7.3826 7.3826 8.4126 8.4126 8.7848 8.7848 9.2008 9.2008 9.3326 9.3326 10.5981 10.5981 10.9030 10.9030 11.9073 11.9073 12.8535 12.8535 12.9358 12.9358 13.0232 13.0232 15.7020 15.7020 15.7244 15.7244 15.8204 15.8204 16.4606 16.4606 k = 0.0000 0.0000 0.1432 ( 2355 PWs) bands (ev): -1.1552 -1.1552 1.3038 1.3038 6.1458 6.1458 6.7028 6.7028 6.7552 6.7552 7.4263 7.4263 8.4008 8.4008 8.8085 8.8085 9.1855 9.1855 9.2361 9.2361 10.5572 10.5572 10.8303 10.8303 11.9773 11.9773 12.8422 12.8422 12.8789 12.8789 12.9548 12.9548 15.6757 15.6757 15.7418 15.7418 15.8700 15.8700 16.5747 16.5747 k = 0.0000 0.0000 0.1562 ( 2367 PWs) bands (ev): -1.1230 -1.1230 1.2238 1.2238 6.2554 6.2554 6.7340 6.7340 6.7829 6.7829 7.4731 7.4731 8.3846 8.3846 8.8343 8.8343 9.1393 9.1393 9.1736 9.1736 10.5145 10.5145 10.7581 10.7581 12.0183 12.0183 12.7333 12.7333 12.7771 12.7771 13.0569 13.0569 15.6468 15.6468 15.7044 15.7044 15.9710 15.9710 16.6881 16.6881 k = 0.0000 0.0000 0.1692 ( 2367 PWs) bands (ev): -1.0881 -1.0881 1.1415 1.1415 6.3690 6.3690 6.7681 6.7681 6.8129 6.8129 7.5226 7.5226 8.3634 8.3634 8.8622 8.8622 9.0427 9.0427 9.1662 9.1662 10.4702 10.4702 10.6865 10.6865 12.0164 12.0164 12.5871 12.5871 12.7551 12.7551 13.1597 13.1597 15.6150 15.6150 15.6572 15.6572 16.0786 16.0786 16.8002 16.8002 k = 0.0000 0.0000 0.1822 ( 2367 PWs) bands (ev): -1.0505 -1.0505 1.0574 1.0574 6.4855 6.4855 6.8053 6.8053 6.8451 6.8451 7.5745 7.5745 8.3369 8.3369 8.8922 8.8922 8.9467 8.9467 9.1639 9.1639 10.4242 10.4242 10.6155 10.6155 11.9683 11.9683 12.4409 12.4409 12.7801 12.7801 13.2629 13.2629 15.5804 15.5804 15.6046 15.6046 16.1883 16.1883 16.9103 16.9103 k = 0.0000 0.0000 0.1952 ( 2367 PWs) bands (ev): -1.0102 -1.0102 0.9720 0.9720 6.6037 6.6037 6.8461 6.8461 6.8796 6.8796 7.6281 7.6281 8.3051 8.3051 8.8516 8.8516 8.9244 8.9244 9.1670 9.1670 10.3768 10.3768 10.5452 10.5452 11.8849 11.8849 12.2953 12.2953 12.8418 12.8418 13.3662 13.3662 15.5430 15.5430 15.5476 15.5476 16.2994 16.2994 17.0180 17.0180 k = 0.0000 0.0000 0.2082 ( 2367 PWs) bands (ev): -0.9674 -0.9674 0.8857 0.8857 6.7213 6.7213 6.8921 6.8921 6.9161 6.9161 7.6829 7.6829 8.2682 8.2682 8.7579 8.7579 8.9586 8.9586 9.1757 9.1757 10.3281 10.3281 10.4756 10.4756 11.7806 11.7806 12.1509 12.1509 12.9263 12.9263 13.4692 13.4692 15.4863 15.4863 15.5026 15.5026 16.4117 16.4117 17.1227 17.1227 k = 0.0000 0.0000 0.2213 ( 2367 PWs) bands (ev): -0.9219 -0.9219 0.7989 0.7989 6.8328 6.8328 6.9478 6.9478 6.9548 6.9548 7.7379 7.7379 8.2265 8.2265 8.6657 8.6657 8.9949 8.9949 9.1898 9.1898 10.2782 10.2782 10.4067 10.4067 11.6659 11.6659 12.0086 12.0086 13.0240 13.0240 13.5719 13.5719 15.4209 15.4209 15.4593 15.4593 16.5252 16.5252 17.2239 17.2239 k = 0.0000 0.0000 0.2343 ( 2367 PWs) bands (ev): -0.8739 -0.8739 0.7120 0.7120 6.9247 6.9247 6.9955 6.9955 7.0262 7.0262 7.7920 7.7920 8.1807 8.1807 8.5756 8.5756 9.0332 9.0332 9.2089 9.2089 10.2272 10.2272 10.3386 10.3386 11.5471 11.5471 11.8689 11.8689 13.1293 13.1293 13.6740 13.6740 15.3515 15.3515 15.4129 15.4129 16.6396 16.6396 17.3213 17.3213 k = 0.0000 0.0000 0.2473 ( 2379 PWs) bands (ev): -0.8234 -0.8234 0.6252 0.6252 6.9921 6.9921 7.0382 7.0382 7.1310 7.1310 7.8439 7.8439 8.1313 8.1313 8.4883 8.4883 9.0736 9.0736 9.2328 9.2328 10.1752 10.1752 10.2713 10.2713 11.4285 11.4285 11.7327 11.7327 13.2391 13.2391 13.7752 13.7752 15.2782 15.2782 15.3634 15.3634 16.7550 16.7550 17.4141 17.4141 k = 0.0000 0.0000 0.2603 ( 2379 PWs) bands (ev): -0.7704 -0.7704 0.5388 0.5388 7.0500 7.0500 7.0828 7.0828 7.2466 7.2466 7.8913 7.8913 8.0790 8.0790 8.4047 8.4047 9.1160 9.1160 9.2611 9.2611 10.1223 10.1223 10.2048 10.2048 11.3130 11.3130 11.6010 11.6010 13.3515 13.3515 13.8754 13.8754 15.2011 15.2011 15.3109 15.3109 16.8710 16.8710 17.5017 17.5017 k = 0.0000 0.0000 0.2733 ( 2379 PWs) bands (ev): -0.7150 -0.7150 0.4530 0.4530 7.1063 7.1063 7.1293 7.1293 7.3638 7.3638 7.9311 7.9311 8.0244 8.0244 8.3270 8.3270 9.1606 9.1606 9.2933 9.2933 10.0683 10.0683 10.1392 10.1392 11.2034 11.2034 11.4745 11.4745 13.4653 13.4653 13.9744 13.9744 15.1203 15.1203 15.2552 15.2552 16.9875 16.9875 17.5833 17.5833 k = 0.0000 0.0000 0.2863 ( 2373 PWs) bands (ev): -0.6571 -0.6571 0.3681 0.3681 7.1634 7.1634 7.1775 7.1775 7.4791 7.4791 7.9574 7.9574 7.9679 7.9679 8.2594 8.2594 9.2072 9.2072 9.3291 9.3291 10.0133 10.0133 10.0746 10.0746 11.1021 11.1021 11.3546 11.3546 13.5796 13.5796 14.0719 14.0719 15.0360 15.0360 15.1964 15.1964 17.1037 17.1037 17.6576 17.6576 k = 0.0000 0.0000 0.2993 ( 2373 PWs) bands (ev): -0.5969 -0.5969 0.2842 0.2842 7.2221 7.2221 7.2274 7.2274 7.5906 7.5906 7.9101 7.9101 7.9611 7.9611 8.2096 8.2096 9.2560 9.2560 9.3681 9.3681 9.9571 9.9571 10.0110 10.0110 11.0116 11.0116 11.2422 11.2422 13.6939 13.6939 14.1678 14.1678 14.9482 14.9482 15.1345 15.1345 17.2190 17.2190 17.7229 17.7229 k = 0.0000 0.0000 0.3124 ( 2373 PWs) bands (ev): -0.5345 -0.5345 0.2014 0.2014 7.2789 7.2789 7.2825 7.2825 7.6964 7.6964 7.8514 7.8514 7.9345 7.9345 8.1832 8.1832 9.3071 9.3071 9.4101 9.4101 9.8995 9.8995 9.9485 9.9485 10.9345 10.9345 11.1389 11.1389 13.8078 13.8078 14.2618 14.2618 14.8572 14.8572 15.0695 15.0695 17.3322 17.3322 17.7773 17.7773 k = 0.0000 0.0000 0.3254 ( 2367 PWs) bands (ev): -0.4698 -0.4698 0.1200 0.1200 7.3319 7.3319 7.3449 7.3449 7.7922 7.7922 7.7949 7.7949 7.8835 7.8835 8.1727 8.1727 9.3603 9.3603 9.4548 9.4548 9.8403 9.8403 9.8873 9.8873 10.8730 10.8730 11.0461 11.0461 13.9209 13.9209 14.3539 14.3539 14.7631 14.7631 15.0013 15.0013 17.4417 17.4417 17.8179 17.8179 k = 0.0000 0.0000 0.3384 ( 2367 PWs) bands (ev): -0.4029 -0.4029 0.0401 0.0401 7.3862 7.3862 7.4091 7.4091 7.7328 7.7328 7.8200 7.8200 7.8844 7.8844 8.1643 8.1643 9.4158 9.4158 9.5020 9.5020 9.7798 9.7798 9.8274 9.8274 10.8293 10.8293 10.9655 10.9655 14.0328 14.0328 14.4438 14.4438 14.6660 14.6660 14.9302 14.9302 17.5451 17.5451 17.8415 17.8415 k = 0.0000 0.0000 0.3514 ( 2367 PWs) bands (ev): -0.3339 -0.3339 -0.0383 -0.0383 7.4418 7.4418 7.4750 7.4750 7.6735 7.6735 7.7515 7.7515 7.9632 7.9632 8.1492 8.1492 9.4735 9.4735 9.5515 9.5515 9.7182 9.7182 9.7689 9.7689 10.8046 10.8046 10.8989 10.8989 14.1433 14.1433 14.5314 14.5314 14.5662 14.5662 14.8560 14.8560 17.6392 17.6392 17.8450 17.8450 k = 0.0000 0.0000 0.3644 ( 2373 PWs) bands (ev): -0.2629 -0.2629 -0.1150 -0.1150 7.4985 7.4985 7.5427 7.5427 7.6145 7.6145 7.6815 7.6815 8.0299 8.0299 8.1228 8.1228 9.5330 9.5330 9.6031 9.6031 9.6560 9.6560 9.7119 9.7119 10.7997 10.7997 10.8480 10.8480 14.2521 14.2521 14.4638 14.4638 14.6166 14.6166 14.7790 14.7790 17.7202 17.7202 17.8259 17.8259 k = 0.0000 0.0000 0.3774 ( 2372 PWs) bands (ev): -0.1899 -0.1899 -0.1899 -0.1899 7.5561 7.5561 7.5561 7.5561 7.6116 7.6116 7.6116 7.6116 8.0832 8.0832 8.0832 8.0832 9.5941 9.5941 9.5941 9.5941 9.6566 9.6566 9.6566 9.6566 10.8145 10.8145 10.8145 10.8145 14.3590 14.3590 14.3590 14.3590 14.6991 14.6991 14.6991 14.6991 17.7836 17.7836 17.7836 17.7836 k = 0.0000 0.0000 0.3774 ( 2372 PWs) bands (ev): -0.1899 -0.1899 -0.1899 -0.1899 7.5561 7.5561 7.5561 7.5561 7.6116 7.6116 7.6116 7.6116 8.0832 8.0832 8.0832 8.0832 9.5941 9.5941 9.5941 9.5941 9.6566 9.6566 9.6566 9.6566 10.8145 10.8145 10.8145 10.8145 14.3590 14.3590 14.3590 14.3590 14.6991 14.6991 14.6991 14.6991 17.7836 17.7836 17.7836 17.7836 k = 0.0111 0.0064 0.3774 ( 2372 PWs) bands (ev): -0.1889 -0.1889 -0.1889 -0.1889 7.5525 7.5525 7.5525 7.5525 7.6088 7.6088 7.6088 7.6088 8.0872 8.0872 8.0872 8.0872 9.5922 9.5922 9.5922 9.5922 9.6583 9.6583 9.6583 9.6583 10.8181 10.8181 10.8181 10.8181 14.3529 14.3529 14.3529 14.3529 14.6948 14.6948 14.6948 14.6948 17.7856 17.7856 17.7856 17.7856 k = 0.0222 0.0128 0.3774 ( 2370 PWs) bands (ev): -0.1860 -0.1860 -0.1860 -0.1860 7.5401 7.5401 7.5401 7.5401 7.6026 7.6026 7.6026 7.6026 8.0986 8.0986 8.0986 8.0986 9.5871 9.5871 9.5871 9.5871 9.6630 9.6630 9.6630 9.6630 10.8289 10.8289 10.8289 10.8289 14.3346 14.3346 14.3346 14.3346 14.6821 14.6821 14.6821 14.6821 17.7906 17.7906 17.7906 17.7906 k = 0.0333 0.0192 0.3774 ( 2366 PWs) bands (ev): -0.1811 -0.1811 -0.1811 -0.1811 7.5163 7.5163 7.5163 7.5163 7.5973 7.5973 7.5973 7.5973 8.1156 8.1156 8.1156 8.1156 9.5798 9.5798 9.5798 9.5798 9.6696 9.6696 9.6696 9.6696 10.8468 10.8468 10.8468 10.8468 14.3036 14.3036 14.3036 14.3036 14.6622 14.6622 14.6622 14.6622 17.7958 17.7958 17.7958 17.7958 k = 0.0444 0.0257 0.3774 ( 2366 PWs) bands (ev): -0.1744 -0.1744 -0.1744 -0.1744 7.4817 7.4817 7.4817 7.4817 7.5943 7.5943 7.5943 7.5943 8.1366 8.1366 8.1366 8.1366 9.5711 9.5711 9.5711 9.5711 9.6774 9.6774 9.6774 9.6774 10.8715 10.8715 10.8715 10.8715 14.2597 14.2597 14.2597 14.2597 14.6364 14.6364 14.6364 14.6364 17.7968 17.7968 17.7968 17.7968 k = 0.0556 0.0321 0.3774 ( 2370 PWs) bands (ev): -0.1657 -0.1657 -0.1657 -0.1657 7.4388 7.4388 7.4388 7.4388 7.5931 7.5931 7.5931 7.5931 8.1597 8.1597 8.1597 8.1597 9.5614 9.5614 9.5614 9.5614 9.6857 9.6857 9.6857 9.6857 10.9029 10.9029 10.9029 10.9029 14.2029 14.2029 14.2029 14.2029 14.6062 14.6062 14.6062 14.6062 17.7878 17.7878 17.7878 17.7878 k = 0.0667 0.0385 0.3774 ( 2370 PWs) bands (ev): -0.1552 -0.1552 -0.1552 -0.1552 7.3899 7.3899 7.3899 7.3899 7.5928 7.5928 7.5928 7.5928 8.1838 8.1838 8.1838 8.1838 9.5510 9.5510 9.5510 9.5510 9.6944 9.6944 9.6944 9.6944 10.9406 10.9406 10.9406 10.9406 14.1337 14.1337 14.1337 14.1337 14.5728 14.5728 14.5728 14.5728 17.7641 17.7641 17.7641 17.7641 k = 0.0778 0.0449 0.3774 ( 2374 PWs) bands (ev): -0.1428 -0.1428 -0.1428 -0.1428 7.3365 7.3365 7.3365 7.3365 7.5932 7.5932 7.5932 7.5932 8.2079 8.2079 8.2079 8.2079 9.5402 9.5402 9.5402 9.5402 9.7032 9.7032 9.7032 9.7032 10.9842 10.9842 10.9842 10.9842 14.0532 14.0532 14.0532 14.0532 14.5368 14.5368 14.5368 14.5368 17.7244 17.7244 17.7244 17.7244 k = 0.0889 0.0513 0.3774 ( 2374 PWs) bands (ev): -0.1286 -0.1286 -0.1286 -0.1286 7.2799 7.2799 7.2799 7.2799 7.5940 7.5940 7.5940 7.5940 8.2315 8.2315 8.2315 8.2315 9.5289 9.5289 9.5289 9.5289 9.7121 9.7121 9.7121 9.7121 11.0331 11.0331 11.0331 11.0331 13.9629 13.9629 13.9629 13.9629 14.4986 14.4986 14.4986 14.4986 17.6709 17.6709 17.6709 17.6709 k = 0.1000 0.0577 0.3774 ( 2380 PWs) bands (ev): -0.1126 -0.1126 -0.1126 -0.1126 7.2208 7.2208 7.2208 7.2208 7.5950 7.5950 7.5950 7.5950 8.2541 8.2541 8.2541 8.2541 9.5173 9.5173 9.5173 9.5173 9.7209 9.7209 9.7209 9.7209 11.0868 11.0868 11.0868 11.0868 13.8644 13.8644 13.8644 13.8644 14.4585 14.4585 14.4585 14.4585 17.6080 17.6080 17.6080 17.6080 k = 0.1111 0.0642 0.3774 ( 2376 PWs) bands (ev): -0.0949 -0.0949 -0.0949 -0.0949 7.1599 7.1599 7.1599 7.1599 7.5961 7.5961 7.5961 7.5961 8.2756 8.2756 8.2756 8.2756 9.5055 9.5055 9.5055 9.5055 9.7298 9.7298 9.7298 9.7298 11.1447 11.1447 11.1447 11.1447 13.7595 13.7595 13.7595 13.7595 14.4164 14.4164 14.4164 14.4164 17.5396 17.5396 17.5396 17.5396 k = 0.1222 0.0706 0.3774 ( 2368 PWs) bands (ev): -0.0755 -0.0755 -0.0755 -0.0755 7.0978 7.0978 7.0978 7.0978 7.5975 7.5975 7.5975 7.5975 8.2958 8.2958 8.2958 8.2958 9.4933 9.4933 9.4933 9.4933 9.7386 9.7386 9.7386 9.7386 11.2060 11.2060 11.2060 11.2060 13.6500 13.6500 13.6500 13.6500 14.3724 14.3724 14.3724 14.3724 17.4687 17.4687 17.4687 17.4687 k = 0.1333 0.0770 0.3774 ( 2368 PWs) bands (ev): -0.0546 -0.0546 -0.0546 -0.0546 7.0348 7.0348 7.0348 7.0348 7.5988 7.5988 7.5988 7.5988 8.3147 8.3147 8.3147 8.3147 9.4810 9.4810 9.4810 9.4810 9.7475 9.7475 9.7475 9.7475 11.2698 11.2698 11.2698 11.2698 13.5376 13.5376 13.5376 13.5376 14.3266 14.3266 14.3266 14.3266 17.3971 17.3971 17.3971 17.3971 k = 0.1444 0.0834 0.3774 ( 2364 PWs) bands (ev): -0.0320 -0.0320 -0.0320 -0.0320 6.9712 6.9712 6.9712 6.9712 7.6003 7.6003 7.6003 7.6003 8.3321 8.3321 8.3321 8.3321 9.4685 9.4685 9.4685 9.4685 9.7564 9.7564 9.7564 9.7564 11.3351 11.3351 11.3351 11.3351 13.4243 13.4243 13.4243 13.4243 14.2790 14.2790 14.2790 14.2790 17.3262 17.3262 17.3262 17.3262 k = 0.1556 0.0898 0.3774 ( 2366 PWs) bands (ev): -0.0080 -0.0080 -0.0080 -0.0080 6.9076 6.9076 6.9076 6.9076 7.6017 7.6017 7.6017 7.6017 8.3482 8.3482 8.3482 8.3482 9.4559 9.4559 9.4559 9.4559 9.7654 9.7654 9.7654 9.7654 11.4006 11.4006 11.4006 11.4006 13.3118 13.3118 13.3118 13.3118 14.2299 14.2299 14.2299 14.2299 17.2566 17.2566 17.2566 17.2566 k = 0.1667 0.0962 0.3774 ( 2376 PWs) bands (ev): 0.0174 0.0174 0.0174 0.0174 6.8440 6.8440 6.8440 6.8440 7.6031 7.6031 7.6031 7.6031 8.3629 8.3629 8.3629 8.3629 9.4433 9.4433 9.4433 9.4433 9.7747 9.7747 9.7747 9.7747 11.4647 11.4647 11.4647 11.4647 13.2023 13.2023 13.2023 13.2023 14.1792 14.1792 14.1792 14.1792 17.1889 17.1889 17.1889 17.1889 k = 0.1778 0.1026 0.3774 ( 2376 PWs) bands (ev): 0.0442 0.0442 0.0442 0.0442 6.7807 6.7807 6.7807 6.7807 7.6045 7.6045 7.6045 7.6045 8.3761 8.3761 8.3761 8.3761 9.4307 9.4307 9.4307 9.4307 9.7841 9.7841 9.7841 9.7841 11.5254 11.5254 11.5254 11.5254 13.0984 13.0984 13.0984 13.0984 14.1273 14.1273 14.1273 14.1273 17.1232 17.1232 17.1232 17.1232 k = 0.1889 0.1091 0.3774 ( 2376 PWs) bands (ev): 0.0721 0.0721 0.0721 0.0721 6.7180 6.7180 6.7180 6.7180 7.6057 7.6057 7.6057 7.6057 8.3880 8.3880 8.3880 8.3880 9.4181 9.4181 9.4181 9.4181 9.7939 9.7939 9.7939 9.7939 11.5799 11.5799 11.5799 11.5799 13.0030 13.0030 13.0030 13.0030 14.0742 14.0742 14.0742 14.0742 17.0597 17.0597 17.0597 17.0597 k = 0.2000 0.1155 0.3774 ( 2382 PWs) bands (ev): 0.1012 0.1012 0.1012 0.1012 6.6561 6.6561 6.6561 6.6561 7.6069 7.6069 7.6069 7.6069 8.3984 8.3984 8.3984 8.3984 9.4057 9.4057 9.4057 9.4057 9.8040 9.8040 9.8040 9.8040 11.6250 11.6250 11.6250 11.6250 12.9199 12.9199 12.9199 12.9199 14.0202 14.0202 14.0202 14.0202 16.9985 16.9985 16.9985 16.9985 k = 0.2111 0.1219 0.3774 ( 2388 PWs) bands (ev): 0.1313 0.1313 0.1313 0.1313 6.5950 6.5950 6.5950 6.5950 7.6080 7.6080 7.6080 7.6080 8.4074 8.4074 8.4074 8.4074 9.3936 9.3936 9.3936 9.3936 9.8144 9.8144 9.8144 9.8144 11.6564 11.6564 11.6564 11.6564 12.8532 12.8532 12.8532 12.8532 13.9655 13.9655 13.9655 13.9655 16.9395 16.9395 16.9395 16.9395 k = 0.2222 0.1283 0.3774 ( 2382 PWs) bands (ev): 0.1624 0.1624 0.1624 0.1624 6.5351 6.5351 6.5351 6.5351 7.6090 7.6090 7.6090 7.6090 8.4149 8.4149 8.4149 8.4149 9.3818 9.3818 9.3818 9.3818 9.8254 9.8254 9.8254 9.8254 11.6703 11.6703 11.6703 11.6703 12.8073 12.8073 12.8073 12.8073 13.9104 13.9104 13.9104 13.9104 16.8827 16.8827 16.8827 16.8827 k = 0.2333 0.1347 0.3774 ( 2382 PWs) bands (ev): 0.1942 0.1942 0.1942 0.1942 6.4764 6.4764 6.4764 6.4764 7.6098 7.6098 7.6098 7.6098 8.4209 8.4209 8.4209 8.4210 9.3704 9.3704 9.3704 9.3704 9.8367 9.8367 9.8367 9.8367 11.6637 11.6637 11.6637 11.6637 12.7851 12.7851 12.7851 12.7851 13.8549 13.8549 13.8549 13.8549 16.8280 16.8280 16.8280 16.8280 k = 0.2444 0.1411 0.3774 ( 2382 PWs) bands (ev): 0.2266 0.2266 0.2266 0.2266 6.4190 6.4190 6.4190 6.4190 7.6104 7.6104 7.6104 7.6104 8.4254 8.4254 8.4254 8.4254 9.3596 9.3596 9.3596 9.3596 9.8486 9.8486 9.8486 9.8486 11.6362 11.6362 11.6362 11.6362 12.7869 12.7869 12.7869 12.7869 13.7995 13.7995 13.7995 13.7995 16.7755 16.7755 16.7755 16.7755 k = 0.2556 0.1475 0.3774 ( 2378 PWs) bands (ev): 0.2596 0.2596 0.2596 0.2596 6.3631 6.3631 6.3631 6.3631 7.6109 7.6109 7.6109 7.6109 8.4283 8.4283 8.4283 8.4283 9.3494 9.3494 9.3494 9.3494 9.8610 9.8610 9.8610 9.8610 11.5903 11.5903 11.5903 11.5903 12.8105 12.8105 12.8105 12.8105 13.7444 13.7444 13.7444 13.7444 16.7250 16.7250 16.7250 16.7250 k = 0.2667 0.1540 0.3774 ( 2382 PWs) bands (ev): 0.2929 0.2929 0.2929 0.2929 6.3088 6.3088 6.3088 6.3088 7.6113 7.6113 7.6113 7.6113 8.4295 8.4295 8.4295 8.4295 9.3399 9.3399 9.3399 9.3399 9.8739 9.8739 9.8739 9.8739 11.5301 11.5301 11.5301 11.5301 12.8515 12.8515 12.8515 12.8515 13.6899 13.6899 13.6899 13.6899 16.6765 16.6765 16.6765 16.6765 k = 0.2778 0.1604 0.3774 ( 2382 PWs) bands (ev): 0.3265 0.3265 0.3265 0.3265 6.2562 6.2562 6.2562 6.2562 7.6115 7.6115 7.6115 7.6115 8.4290 8.4290 8.4290 8.4290 9.3313 9.3313 9.3313 9.3313 9.8872 9.8872 9.8872 9.8872 11.4600 11.4600 11.4600 11.4600 12.9052 12.9052 12.9052 12.9052 13.6366 13.6366 13.6366 13.6366 16.6299 16.6299 16.6299 16.6299 k = 0.2889 0.1668 0.3774 ( 2382 PWs) bands (ev): 0.3601 0.3601 0.3601 0.3601 6.2054 6.2054 6.2054 6.2054 7.6115 7.6115 7.6115 7.6115 8.4269 8.4269 8.4269 8.4269 9.3237 9.3237 9.3237 9.3237 9.9010 9.9010 9.9010 9.9010 11.3838 11.3838 11.3838 11.3838 12.9674 12.9674 12.9674 12.9674 13.5849 13.5849 13.5849 13.5849 16.5852 16.5852 16.5852 16.5852 k = 0.3000 0.1732 0.3774 ( 2374 PWs) bands (ev): 0.3936 0.3936 0.3936 0.3936 6.1565 6.1565 6.1565 6.1565 7.6114 7.6114 7.6114 7.6114 8.4231 8.4231 8.4231 8.4231 9.3171 9.3171 9.3171 9.3171 9.9152 9.9152 9.9152 9.9152 11.3046 11.3046 11.3046 11.3046 13.0341 13.0341 13.0341 13.0341 13.5361 13.5361 13.5361 13.5361 16.5423 16.5423 16.5423 16.5423 k = 0.3111 0.1796 0.3774 ( 2382 PWs) bands (ev): 0.4269 0.4269 0.4269 0.4269 6.1096 6.1096 6.1096 6.1096 7.6111 7.6111 7.6111 7.6111 8.4177 8.4177 8.4177 8.4177 9.3115 9.3115 9.3115 9.3115 9.9297 9.9297 9.9297 9.9297 11.2245 11.2245 11.2245 11.2245 13.1012 13.1012 13.1012 13.1012 13.4921 13.4921 13.4921 13.4921 16.5013 16.5013 16.5013 16.5013 k = 0.3222 0.1860 0.3774 ( 2386 PWs) bands (ev): 0.4596 0.4596 0.4596 0.4596 6.0647 6.0647 6.0647 6.0647 7.6107 7.6107 7.6107 7.6107 8.4108 8.4108 8.4108 8.4108 9.3071 9.3071 9.3071 9.3071 9.9444 9.9444 9.9444 9.9444 11.1453 11.1453 11.1453 11.1453 13.1625 13.1625 13.1625 13.1625 13.4574 13.4574 13.4574 13.4574 16.4620 16.4620 16.4620 16.4620 k = 0.3333 0.1925 0.3774 ( 2382 PWs) bands (ev): 0.4917 0.4917 0.4917 0.4917 6.0220 6.0220 6.0220 6.0220 7.6102 7.6102 7.6102 7.6102 8.4025 8.4025 8.4025 8.4025 9.3038 9.3038 9.3038 9.3038 9.9592 9.9592 9.9592 9.9592 11.0681 11.0681 11.0681 11.0681 13.2066 13.2066 13.2066 13.2066 13.4425 13.4425 13.4425 13.4425 16.4245 16.4245 16.4245 16.4245 k = 0.3444 0.1989 0.3774 ( 2388 PWs) bands (ev): 0.5230 0.5230 0.5230 0.5230 5.9816 5.9816 5.9816 5.9816 7.6096 7.6096 7.6096 7.6096 8.3929 8.3929 8.3929 8.3929 9.3016 9.3016 9.3016 9.3016 9.9740 9.9740 9.9740 9.9740 10.9938 10.9938 10.9938 10.9938 13.2192 13.2192 13.2192 13.2192 13.4604 13.4604 13.4604 13.4604 16.3888 16.3888 16.3888 16.3888 k = 0.3556 0.2053 0.3774 ( 2388 PWs) bands (ev): 0.5532 0.5532 0.5532 0.5532 5.9435 5.9435 5.9435 5.9435 7.6090 7.6090 7.6090 7.6090 8.3823 8.3823 8.3823 8.3823 9.3005 9.3005 9.3005 9.3005 9.9887 9.9887 9.9887 9.9887 10.9231 10.9231 10.9231 10.9231 13.2033 13.2033 13.2033 13.2033 13.5076 13.5076 13.5076 13.5076 16.3549 16.3549 16.3549 16.3549 k = 0.3667 0.2117 0.3774 ( 2384 PWs) bands (ev): 0.5822 0.5822 0.5822 0.5822 5.9079 5.9079 5.9079 5.9079 7.6082 7.6082 7.6082 7.6082 8.3708 8.3708 8.3708 8.3708 9.3003 9.3003 9.3003 9.3003 10.0031 10.0031 10.0031 10.0031 10.8565 10.8565 10.8565 10.8565 13.1739 13.1739 13.1739 13.1739 13.5686 13.5686 13.5686 13.5686 16.3228 16.3228 16.3228 16.3228 k = 0.3778 0.2181 0.3774 ( 2396 PWs) bands (ev): 0.6098 0.6098 0.6098 0.6098 5.8747 5.8747 5.8747 5.8747 7.6075 7.6075 7.6075 7.6075 8.3588 8.3588 8.3588 8.3588 9.3011 9.3011 9.3011 9.3011 10.0170 10.0170 10.0170 10.0170 10.7944 10.7944 10.7944 10.7944 13.1398 13.1398 13.1398 13.1398 13.6338 13.6338 13.6338 13.6338 16.2925 16.2925 16.2925 16.2925 k = 0.3889 0.2245 0.3774 ( 2394 PWs) bands (ev): 0.6357 0.6357 0.6357 0.6357 5.8441 5.8441 5.8441 5.8441 7.6067 7.6067 7.6067 7.6067 8.3464 8.3464 8.3464 8.3464 9.3026 9.3026 9.3026 9.3026 10.0302 10.0302 10.0302 10.0302 10.7371 10.7371 10.7371 10.7371 13.1052 13.1052 13.1052 13.1052 13.6988 13.6988 13.6988 13.6988 16.2643 16.2643 16.2643 16.2643 k = 0.4000 0.2309 0.3774 ( 2390 PWs) bands (ev): 0.6599 0.6599 0.6599 0.6599 5.8161 5.8161 5.8161 5.8161 7.6059 7.6059 7.6059 7.6059 8.3341 8.3341 8.3341 8.3341 9.3048 9.3048 9.3048 9.3048 10.0425 10.0425 10.0425 10.0425 10.6850 10.6850 10.6850 10.6850 13.0716 13.0716 13.0716 13.0716 13.7614 13.7614 13.7614 13.7614 16.2380 16.2380 16.2380 16.2380 k = 0.4111 0.2374 0.3774 ( 2390 PWs) bands (ev): 0.6820 0.6820 0.6820 0.6820 5.7909 5.7909 5.7909 5.7909 7.6051 7.6051 7.6051 7.6051 8.3221 8.3221 8.3221 8.3221 9.3074 9.3074 9.3074 9.3074 10.0539 10.0539 10.0539 10.0539 10.6382 10.6382 10.6382 10.6382 13.0401 13.0401 13.0401 13.0401 13.8203 13.8203 13.8203 13.8203 16.2140 16.2140 16.2140 16.2140 k = 0.4222 0.2438 0.3774 ( 2378 PWs) bands (ev): 0.7021 0.7021 0.7021 0.7021 5.7684 5.7684 5.7684 5.7684 7.6043 7.6043 7.6043 7.6043 8.3107 8.3107 8.3107 8.3107 9.3103 9.3103 9.3103 9.3103 10.0640 10.0640 10.0640 10.0640 10.5968 10.5968 10.5968 10.5968 13.0114 13.0114 13.0114 13.0114 13.8744 13.8744 13.8744 13.8744 16.1922 16.1922 16.1922 16.1922 k = 0.4333 0.2502 0.3774 ( 2378 PWs) bands (ev): 0.7198 0.7198 0.7198 0.7198 5.7488 5.7488 5.7488 5.7488 7.6036 7.6036 7.6036 7.6036 8.3001 8.3001 8.3001 8.3001 9.3134 9.3134 9.3134 9.3134 10.0729 10.0729 10.0729 10.0729 10.5610 10.5610 10.5610 10.5610 12.9857 12.9857 12.9857 12.9857 13.9229 13.9229 13.9229 13.9229 16.1728 16.1728 16.1728 16.1728 k = 0.4444 0.2566 0.3774 ( 2390 PWs) bands (ev): 0.7350 0.7350 0.7350 0.7350 5.7321 5.7321 5.7321 5.7321 7.6030 7.6030 7.6030 7.6030 8.2907 8.2907 8.2907 8.2907 9.3163 9.3163 9.3163 9.3163 10.0803 10.0803 10.0803 10.0803 10.5308 10.5308 10.5308 10.5308 12.9635 12.9635 12.9635 12.9635 13.9652 13.9652 13.9652 13.9652 16.1560 16.1560 16.1560 16.1560 k = 0.4556 0.2630 0.3774 ( 2398 PWs) bands (ev): 0.7476 0.7476 0.7476 0.7476 5.7184 5.7184 5.7184 5.7184 7.6025 7.6025 7.6025 7.6025 8.2827 8.2827 8.2827 8.2827 9.3190 9.3190 9.3190 9.3190 10.0863 10.0863 10.0863 10.0863 10.5062 10.5062 10.5062 10.5062 12.9450 12.9450 12.9450 12.9450 14.0007 14.0007 14.0007 14.0007 16.1420 16.1420 16.1420 16.1420 k = 0.4667 0.2694 0.3774 ( 2388 PWs) bands (ev): 0.7576 0.7576 0.7576 0.7576 5.7076 5.7076 5.7076 5.7076 7.6021 7.6021 7.6021 7.6021 8.2762 8.2762 8.2762 8.2762 9.3213 9.3213 9.3213 9.3213 10.0908 10.0908 10.0908 10.0908 10.4873 10.4873 10.4873 10.4873 12.9304 12.9304 12.9304 12.9304 14.0289 14.0289 14.0289 14.0289 16.1309 16.1309 16.1309 16.1309 k = 0.4778 0.2758 0.3774 ( 2388 PWs) bands (ev): 0.7648 0.7648 0.7648 0.7648 5.7000 5.7000 5.7000 5.7000 7.6018 7.6018 7.6018 7.6018 8.2715 8.2715 8.2715 8.2715 9.3230 9.3230 9.3230 9.3230 10.0940 10.0940 10.0940 10.0940 10.4738 10.4738 10.4738 10.4738 12.9199 12.9199 12.9199 12.9199 14.0493 14.0493 14.0493 14.0493 16.1229 16.1229 16.1229 16.1229 k = 0.4889 0.2823 0.3774 ( 2388 PWs) bands (ev): 0.7691 0.7691 0.7691 0.7691 5.6953 5.6953 5.6953 5.6953 7.6016 7.6016 7.6016 7.6016 8.2686 8.2686 8.2686 8.2686 9.3241 9.3241 9.3241 9.3241 10.0958 10.0958 10.0958 10.0958 10.4658 10.4658 10.4658 10.4658 12.9135 12.9135 12.9135 12.9135 14.0616 14.0616 14.0616 14.0616 16.1180 16.1180 16.1180 16.1180 k = 0.5000 0.2887 0.3774 ( 2388 PWs) bands (ev): 0.7705 0.7705 0.7705 0.7705 5.6938 5.6938 5.6938 5.6938 7.6015 7.6015 7.6015 7.6015 8.2676 8.2676 8.2676 8.2676 9.3245 9.3245 9.3245 9.3245 10.0965 10.0965 10.0965 10.0965 10.4631 10.4631 10.4631 10.4631 12.9114 12.9114 12.9114 12.9114 14.0658 14.0658 14.0658 14.0658 16.1164 16.1164 16.1164 16.1164 k = 0.5000 0.2887 0.3774 ( 2388 PWs) bands (ev): 0.7705 0.7705 0.7705 0.7705 5.6938 5.6938 5.6938 5.6938 7.6015 7.6015 7.6015 7.6015 8.2676 8.2676 8.2676 8.2676 9.3245 9.3245 9.3245 9.3245 10.0965 10.0965 10.0965 10.0965 10.4631 10.4631 10.4631 10.4631 12.9114 12.9114 12.9114 12.9114 14.0658 14.0658 14.0658 14.0658 16.1164 16.1164 16.1164 16.1164 k = 0.4936 0.2998 0.3774 ( 2388 PWs) bands (ev): 0.7688 0.7688 0.7731 0.7731 5.6929 5.6929 5.6975 5.6975 7.5899 7.5899 7.6094 7.6094 8.2590 8.2590 8.2745 8.2745 9.3115 9.3115 9.3371 9.3371 10.0685 10.0685 10.1242 10.1242 10.4507 10.4507 10.4764 10.4764 12.8792 12.8792 12.9159 12.9159 14.0575 14.0575 14.1088 14.1088 16.1141 16.1141 16.1234 16.1234 k = 0.4872 0.3109 0.3774 ( 2388 PWs) bands (ev): 0.7677 0.7677 0.7763 0.7763 5.6949 5.6949 5.7040 5.7040 7.5746 7.5746 7.6136 7.6136 8.2488 8.2488 8.2796 8.2796 9.2984 9.2984 9.3493 9.3493 10.0403 10.0403 10.1517 10.1517 10.4392 10.4392 10.4905 10.4905 12.8249 12.8249 12.8915 12.8915 14.0852 14.0852 14.1810 14.1810 16.1166 16.1166 16.1353 16.1353 k = 0.4808 0.3220 0.3774 ( 2384 PWs) bands (ev): 0.7673 0.7673 0.7801 0.7802 5.6997 5.6997 5.7133 5.7133 7.5558 7.5558 7.6138 7.6138 8.2368 8.2368 8.2832 8.2832 9.2852 9.2852 9.3609 9.3609 10.0119 10.0119 10.1788 10.1788 10.4289 10.4289 10.5055 10.5055 12.7554 12.7554 12.8424 12.8424 14.1444 14.1444 14.2753 14.2753 16.1241 16.1241 16.1520 16.1520 k = 0.4744 0.3331 0.3774 ( 2384 PWs) bands (ev): 0.7676 0.7676 0.7847 0.7847 5.7073 5.7073 5.7255 5.7255 7.5336 7.5336 7.6102 7.6102 8.2233 8.2233 8.2850 8.2850 9.2720 9.2720 9.3717 9.3717 9.9833 9.9833 10.2050 10.2050 10.4201 10.4201 10.5215 10.5215 12.6769 12.6769 12.7752 12.7752 14.2282 14.2282 14.3852 14.3852 16.1366 16.1366 16.1737 16.1737 k = 0.4679 0.3442 0.3774 ( 2380 PWs) bands (ev): 0.7687 0.7687 0.7899 0.7899 5.7177 5.7177 5.7405 5.7405 7.5080 7.5080 7.6024 7.6024 8.2082 8.2082 8.2853 8.2853 9.2589 9.2589 9.3818 9.3818 9.9545 9.9545 10.2298 10.2298 10.4136 10.4136 10.5386 10.5386 12.5937 12.5937 12.6963 12.6963 14.3296 14.3296 14.5057 14.5057 16.1544 16.1544 16.2005 16.2005 k = 0.4615 0.3553 0.3774 ( 2380 PWs) bands (ev): 0.7703 0.7703 0.7957 0.7957 5.7309 5.7309 5.7583 5.7583 7.4792 7.4792 7.5907 7.5907 8.1917 8.1917 8.2841 8.2841 9.2459 9.2459 9.3908 9.3908 9.9256 9.9256 10.2517 10.2517 10.4110 10.4110 10.5569 10.5569 12.5089 12.5089 12.6107 12.6107 14.4431 14.4431 14.6331 14.6331 16.1778 16.1778 16.2327 16.2327 k = 0.4551 0.3664 0.3774 ( 2376 PWs) bands (ev): 0.7726 0.7726 0.8020 0.8020 5.7469 5.7469 5.7788 5.7788 7.4472 7.4472 7.5747 7.5747 8.1740 8.1740 8.2814 8.2814 9.2332 9.2332 9.3988 9.3988 9.8968 9.8968 10.2687 10.2687 10.4144 10.4144 10.5765 10.5765 12.4246 12.4246 12.5220 12.5220 14.5643 14.5643 14.7645 14.7645 16.2072 16.2072 16.2706 16.2706 k = 0.4487 0.3775 0.3774 ( 2380 PWs) bands (ev): 0.7755 0.7755 0.8089 0.8089 5.7655 5.7655 5.8021 5.8021 7.4123 7.4123 7.5545 7.5545 8.1553 8.1553 8.2773 8.2773 9.2208 9.2208 9.4055 9.4055 9.8683 9.8683 10.2788 10.2788 10.4258 10.4258 10.5974 10.5974 12.3420 12.3420 12.4324 12.4324 14.6900 14.6900 14.8974 14.8974 16.2433 16.2433 16.3144 16.3144 k = 0.4423 0.3886 0.3774 ( 2380 PWs) bands (ev): 0.7790 0.7790 0.8162 0.8162 5.7868 5.7868 5.8280 5.8280 7.3745 7.3745 7.5302 7.5302 8.1358 8.1358 8.2718 8.2718 9.2088 9.2088 9.4109 9.4109 9.8402 9.8402 10.2818 10.2818 10.4456 10.4456 10.6196 10.6196 12.2621 12.2621 12.3435 12.3435 14.8177 14.8177 15.0295 15.0295 16.2866 16.2866 16.3648 16.3648 k = 0.4359 0.3997 0.3774 ( 2380 PWs) bands (ev): 0.7829 0.7829 0.8239 0.8239 5.8107 5.8107 5.8566 5.8566 7.3339 7.3339 7.5015 7.5015 8.1158 8.1158 8.2652 8.2652 9.1971 9.1971 9.4150 9.4150 9.8128 9.8128 10.2793 10.2793 10.4723 10.4723 10.6432 10.6432 12.1853 12.1853 12.2562 12.2562 14.9449 14.9449 15.1587 15.1587 16.3381 16.3381 16.4221 16.4221 k = 0.4295 0.4108 0.3774 ( 2388 PWs) bands (ev): 0.7873 0.7873 0.8319 0.8319 5.8373 5.8373 5.8878 5.8878 7.2908 7.2908 7.4687 7.4687 8.0957 8.0957 8.2574 8.2574 9.1860 9.1860 9.4178 9.4178 9.7863 9.7863 10.2734 10.2734 10.5039 10.5039 10.6682 10.6682 12.1121 12.1121 12.1712 12.1712 15.0699 15.0699 15.2828 15.2828 16.3985 16.3985 16.4870 16.4870 k = 0.4231 0.4219 0.3774 ( 2382 PWs) bands (ev): 0.7921 0.7921 0.8401 0.8401 5.8663 5.8663 5.9215 5.9215 7.2452 7.2452 7.4317 7.4317 8.0755 8.0755 8.2485 8.2485 9.1755 9.1755 9.4192 9.4192 9.7609 9.7609 10.2654 10.2654 10.5390 10.5390 10.6944 10.6944 12.0425 12.0425 12.0888 12.0888 15.1907 15.1907 15.4000 15.4000 16.4687 16.4687 16.5598 16.5598 k = 0.4167 0.4330 0.3774 ( 2378 PWs) bands (ev): 0.7972 0.7972 0.8485 0.8485 5.8978 5.8978 5.9577 5.9577 7.1973 7.1973 7.3908 7.3908 8.0557 8.0557 8.2389 8.2389 9.1655 9.1655 9.4195 9.4195 9.7370 9.7370 10.2563 10.2563 10.5767 10.5767 10.7218 10.7218 11.9767 11.9767 12.0092 12.0092 15.3059 15.3059 15.5087 15.5087 16.5489 16.5489 16.6410 16.6410 k = 0.4103 0.4441 0.3774 ( 2378 PWs) bands (ev): 0.8025 0.8025 0.8570 0.8570 5.9316 5.9316 5.9963 5.9963 7.1474 7.1474 7.3461 7.3461 8.0365 8.0365 8.2285 8.2285 9.1562 9.1562 9.4186 9.4186 9.7145 9.7145 10.2468 10.2468 10.6166 10.6166 10.7501 10.7501 11.9145 11.9145 11.9326 11.9326 15.4142 15.4142 15.6078 15.6078 16.6392 16.6392 16.7307 16.7307 k = 0.4038 0.4552 0.3774 ( 2378 PWs) bands (ev): 0.8080 0.8080 0.8654 0.8654 5.9678 5.9678 6.0371 6.0371 7.0955 7.0955 7.2980 7.2980 8.0180 8.0180 8.2177 8.2177 9.1475 9.1475 9.4169 9.4169 9.6938 9.6938 10.2371 10.2371 10.6582 10.6582 10.7793 10.7793 11.8560 11.8560 11.8588 11.8588 15.5146 15.5146 15.6968 15.6968 16.7386 16.7386 16.8287 16.8287 k = 0.3974 0.4663 0.3774 ( 2378 PWs) bands (ev): 0.8136 0.8136 0.8737 0.8737 6.0061 6.0061 6.0801 6.0801 7.0420 7.0420 7.2468 7.2468 8.0005 8.0005 8.2066 8.2066 9.1396 9.1396 9.4145 9.4145 9.6748 9.6748 10.2275 10.2275 10.7013 10.7013 10.8091 10.8091 11.7878 11.7878 11.8011 11.8011 15.6065 15.6065 15.7760 15.7760 16.8455 16.8455 16.9344 16.9344 k = 0.3910 0.4774 0.3774 ( 2378 PWs) bands (ev): 0.8191 0.8191 0.8818 0.8818 6.0465 6.0465 6.1251 6.1251 6.9872 6.9872 7.1929 7.1929 7.9842 7.9842 8.1954 8.1954 9.1324 9.1324 9.4116 9.4116 9.6575 9.6575 10.2183 10.2183 10.7457 10.7457 10.8392 10.8392 11.7196 11.7196 11.7497 11.7497 15.6897 15.6897 15.8461 15.8461 16.9576 16.9576 17.0469 17.0469 k = 0.3846 0.4885 0.3774 ( 2386 PWs) bands (ev): 0.8245 0.8245 0.8895 0.8895 6.0889 6.0889 6.1719 6.1719 6.9312 6.9312 7.1370 7.1370 7.9691 7.9691 8.1844 8.1844 9.1260 9.1260 9.4086 9.4086 9.6419 9.6419 10.2096 10.2096 10.7912 10.7912 10.8692 10.8692 11.6538 11.6538 11.7020 11.7020 15.7642 15.7642 15.9078 15.9078 17.0721 17.0721 17.1649 17.1649 k = 0.3782 0.4996 0.3774 ( 2390 PWs) bands (ev): 0.8297 0.8297 0.8968 0.8968 6.1330 6.1330 6.2202 6.2202 6.8744 6.8744 7.0794 7.0794 7.9554 7.9554 8.1739 8.1739 9.1204 9.1204 9.4057 9.4057 9.6279 9.6279 10.2015 10.2015 10.8377 10.8377 10.8986 10.8986 11.5905 11.5905 11.6578 11.6578 15.8301 15.8301 15.9620 15.9620 17.1861 17.1861 17.2867 17.2867 k = 0.3718 0.5107 0.3774 ( 2386 PWs) bands (ev): 0.8346 0.8346 0.9035 0.9036 6.1789 6.1789 6.2698 6.2698 6.8171 6.8171 7.0210 7.0210 7.9432 7.9432 8.1641 8.1641 9.1155 9.1155 9.4031 9.4031 9.6156 9.6156 10.1942 10.1942 10.8849 10.8849 10.9271 10.9271 11.5294 11.5294 11.6176 11.6176 15.8877 15.8877 16.0093 16.0093 17.2963 17.2963 17.4108 17.4108 k = 0.3654 0.5218 0.3774 ( 2384 PWs) bands (ev): 0.8390 0.8390 0.9096 0.9096 6.2262 6.2262 6.3201 6.3201 6.7597 6.7597 6.9625 6.9625 7.9327 7.9327 8.1552 8.1552 9.1114 9.1114 9.4009 9.4009 9.6049 9.6049 10.1877 10.1877 10.9327 10.9327 10.9538 10.9538 11.4705 11.4705 11.5816 11.5816 15.9370 15.9370 16.0501 16.0501 17.3990 17.3990 17.5353 17.5353 k = 0.3590 0.5329 0.3774 ( 2380 PWs) bands (ev): 0.8429 0.8429 0.9148 0.9148 6.2748 6.2748 6.3703 6.3703 6.7026 6.7026 6.9051 6.9051 7.9238 7.9238 8.1474 8.1474 9.1080 9.1080 9.3993 9.3993 9.5958 9.5958 10.1822 10.1822 10.9778 10.9778 10.9808 10.9808 11.4138 11.4138 11.5504 11.5504 15.9782 15.9782 16.0845 16.0845 17.4904 17.4904 17.6584 17.6584 k = 0.3526 0.5440 0.3774 ( 2384 PWs) bands (ev): 0.8461 0.8461 0.9190 0.9190 6.3243 6.3243 6.4191 6.4191 6.6461 6.6461 6.8503 6.8503 7.9167 7.9167 8.1411 8.1411 9.1054 9.1054 9.3983 9.3983 9.5885 9.5885 10.1778 10.1778 10.9983 10.9983 11.0287 11.0287 11.3596 11.3596 11.5248 11.5248 16.0110 16.0110 16.1122 16.1122 17.5661 17.5661 17.7777 17.7777 k = 0.3462 0.5551 0.3774 ( 2376 PWs) bands (ev): 0.8486 0.8486 0.9222 0.9222 6.3745 6.3745 6.4636 6.4636 6.5910 6.5910 6.8014 6.8014 7.9116 7.9116 8.1364 8.1364 9.1036 9.1036 9.3977 9.3977 9.5829 9.5829 10.1746 10.1746 11.0139 11.0139 11.0752 11.0752 11.3088 11.3088 11.5056 11.5056 16.0351 16.0351 16.1329 16.1329 17.6220 17.6220 17.8898 17.8898 k = 0.3397 0.5662 0.3774 ( 2376 PWs) bands (ev): 0.8501 0.8501 0.9242 0.9242 6.4238 6.4238 6.4978 6.4978 6.5385 6.5385 6.7643 6.7643 7.9084 7.9084 8.1334 8.1334 9.1025 9.1025 9.3975 9.3975 9.5794 9.5794 10.1726 10.1726 11.0238 11.0238 11.1164 11.1164 11.2650 11.2650 11.4938 11.4938 16.0500 16.0500 16.1459 16.1459 17.6553 17.6553 17.9857 17.9857 k = 0.3333 0.5774 0.3774 ( 2388 PWs) bands (ev): 0.8507 0.8507 0.9249 0.9249 6.4578 6.4578 6.5035 6.5035 6.5115 6.5115 6.7497 6.7497 7.9073 7.9073 8.1324 8.1324 9.1022 9.1022 9.3975 9.3975 9.5782 9.5782 10.1719 10.1719 11.0272 11.0272 11.1370 11.1370 11.2436 11.2436 11.4898 11.4898 16.0551 16.0551 16.1504 16.1504 17.6658 17.6658 18.0317 18.0317 k = 0.3333 0.5774 0.3774 ( 2388 PWs) bands (ev): 0.8507 0.8507 0.9249 0.9249 6.4578 6.4578 6.5035 6.5035 6.5115 6.5115 6.7497 6.7497 7.9073 7.9073 8.1324 8.1324 9.1022 9.1022 9.3975 9.3975 9.5782 9.5782 10.1719 10.1719 11.0272 11.0272 11.1370 11.1370 11.2436 11.2436 11.4898 11.4898 16.0551 16.0551 16.1504 16.1504 17.6658 17.6658 18.0317 18.0317 k = 0.3268 0.5660 0.3774 ( 2376 PWs) bands (ev): 0.8501 0.8501 0.9241 0.9241 6.4237 6.4237 6.4977 6.4977 6.5387 6.5387 6.7646 6.7646 7.9085 7.9085 8.1335 8.1335 9.1025 9.1025 9.3974 9.3974 9.5795 9.5795 10.1726 10.1726 11.0238 11.0238 11.1161 11.1161 11.2653 11.2653 11.4938 11.4938 16.0496 16.0496 16.1454 16.1454 17.6565 17.6565 17.9897 17.9897 k = 0.3203 0.5547 0.3774 ( 2382 PWs) bands (ev): 0.8482 0.8482 0.9218 0.9218 6.3761 6.3761 6.4641 6.4641 6.5897 6.5897 6.8012 6.8012 7.9120 7.9120 8.1368 8.1368 9.1036 9.1036 9.3971 9.3971 9.5838 9.5838 10.1749 10.1749 11.0142 11.0142 11.0753 11.0753 11.3086 11.3086 11.5052 11.5052 16.0326 16.0326 16.1297 16.1297 17.6326 17.6326 17.9138 17.9138 k = 0.3137 0.5434 0.3774 ( 2388 PWs) bands (ev): 0.8449 0.8449 0.9178 0.9178 6.3296 6.3296 6.4220 6.4220 6.6419 6.6419 6.8485 6.8485 7.9181 7.9181 8.1425 8.1425 9.1055 9.1055 9.3963 9.3963 9.5912 9.5912 10.1786 10.1786 10.9996 10.9996 11.0304 11.0304 11.3575 11.3575 11.5229 11.5229 16.0037 16.0037 16.1027 16.1027 17.6007 17.6007 17.8373 17.8373 k = 0.3072 0.5321 0.3774 ( 2384 PWs) bands (ev): 0.8401 0.8401 0.9119 0.9119 6.2857 6.2857 6.3775 6.3775 6.6939 6.6939 6.9002 6.9002 7.9268 7.9268 8.1506 8.1506 9.1080 9.1080 9.3950 9.3950 9.6019 9.6019 10.1839 10.1839 10.9814 10.9814 10.9853 10.9853 11.4083 11.4083 11.5454 11.5454 15.9629 15.9629 16.0638 16.0638 17.5662 17.5662 17.7677 17.7677 k = 0.3007 0.5207 0.3774 ( 2388 PWs) bands (ev): 0.8338 0.8338 0.9042 0.9042 6.2449 6.2449 6.3334 6.3334 6.7451 6.7451 6.9535 6.9535 7.9381 7.9381 8.1610 8.1610 9.1113 9.1113 9.3932 9.3932 9.6158 9.6158 10.1905 10.1905 10.9413 10.9413 10.9610 10.9610 11.4599 11.4599 11.5715 11.5715 15.9104 15.9104 16.0132 16.0132 17.5327 17.5327 17.7068 17.7068 k = 0.2941 0.5094 0.3774 ( 2384 PWs) bands (ev): 0.8258 0.8258 0.8946 0.8946 6.2076 6.2076 6.2913 6.2913 6.7952 6.7952 7.0067 7.0067 7.9523 7.9523 8.1737 8.1737 9.1152 9.1152 9.3910 9.3910 9.6327 9.6327 10.1985 10.1985 10.8992 10.8992 10.9395 10.9395 11.5118 11.5118 11.6003 11.6003 15.8468 15.8468 15.9513 15.9513 17.5027 17.5027 17.6547 17.6547 k = 0.2876 0.4981 0.3774 ( 2380 PWs) bands (ev): 0.8161 0.8161 0.8830 0.8830 6.1738 6.1738 6.2518 6.2518 6.8439 6.8439 7.0588 7.0588 7.9691 7.9691 8.1885 8.1885 9.1199 9.1199 9.3885 9.3885 9.6525 9.6525 10.2074 10.2074 10.8598 10.8598 10.9181 10.9181 11.5638 11.5638 11.6308 11.6308 15.7733 15.7733 15.8792 15.8792 17.4769 17.4769 17.6107 17.6107 k = 0.2810 0.4868 0.3774 ( 2380 PWs) bands (ev): 0.8046 0.8046 0.8694 0.8694 6.1440 6.1440 6.2157 6.2157 6.8911 6.8911 7.1092 7.1092 7.9887 7.9887 8.2053 8.2053 9.1251 9.1251 9.3858 9.3858 9.6749 9.6749 10.2168 10.2168 10.8240 10.8240 10.8977 10.8977 11.6156 11.6156 11.6626 11.6626 15.6911 15.6911 15.7982 15.7982 17.4556 17.4556 17.5738 17.5738 k = 0.2745 0.4755 0.3774 ( 2380 PWs) bands (ev): 0.7913 0.7913 0.8538 0.8538 6.1182 6.1182 6.1832 6.1832 6.9364 6.9364 7.1573 7.1573 8.0109 8.0109 8.2237 8.2237 9.1311 9.1311 9.3831 9.3831 9.6995 9.6995 10.2258 10.2258 10.7928 10.7928 10.8794 10.8794 11.6672 11.6672 11.6950 11.6950 15.6017 15.6017 15.7097 15.7097 17.4382 17.4382 17.5427 17.5427 k = 0.2680 0.4641 0.3774 ( 2374 PWs) bands (ev): 0.7762 0.7762 0.8361 0.8361 6.0965 6.0965 6.1547 6.1547 6.9799 6.9799 7.2028 7.2028 8.0354 8.0354 8.2435 8.2435 9.1376 9.1376 9.3805 9.3805 9.7256 9.7256 10.2335 10.2335 10.7678 10.7678 10.8641 10.8641 11.7183 11.7183 11.7277 11.7277 15.5064 15.5064 15.6152 15.6152 17.4240 17.4240 17.5163 17.5163 k = 0.2614 0.4528 0.3774 ( 2374 PWs) bands (ev): 0.7592 0.7592 0.8165 0.8165 6.0792 6.0792 6.1304 6.1304 7.0214 7.0214 7.2456 7.2456 8.0620 8.0620 8.2643 8.2643 9.1447 9.1447 9.3781 9.3781 9.7528 9.7528 10.2385 10.2385 10.7508 10.7508 10.8530 10.8530 11.7603 11.7603 11.7689 11.7689 15.4065 15.4065 15.5160 15.5160 17.4121 17.4121 17.4934 17.4934 k = 0.2549 0.4415 0.3774 ( 2366 PWs) bands (ev): 0.7404 0.7404 0.7949 0.7949 6.0661 6.0661 6.1104 6.1104 7.0608 7.0608 7.2854 7.2854 8.0901 8.0901 8.2858 8.2858 9.1523 9.1523 9.3761 9.3761 9.7802 9.7802 10.2393 10.2393 10.7434 10.7434 10.8471 10.8471 11.7926 11.7926 11.8188 11.8188 15.3034 15.3034 15.4136 15.4136 17.4020 17.4020 17.4730 17.4730 k = 0.2484 0.4302 0.3774 ( 2370 PWs) bands (ev): 0.7199 0.7199 0.7715 0.7715 6.0575 6.0575 6.0948 6.0948 7.0982 7.0982 7.3222 7.3222 8.1195 8.1195 8.3074 8.3074 9.1604 9.1604 9.3746 9.3746 9.8068 9.8068 10.2348 10.2348 10.7474 10.7474 10.8477 10.8477 11.8244 11.8244 11.8678 11.8678 15.1982 15.1982 15.3090 15.3090 17.3928 17.3928 17.4543 17.4543 k = 0.2418 0.4189 0.3774 ( 2374 PWs) bands (ev): 0.6976 0.6976 0.7463 0.7463 6.0532 6.0532 6.0837 6.0837 7.1335 7.1335 7.3563 7.3563 8.1494 8.1494 8.3288 8.3288 9.1688 9.1688 9.3736 9.3736 9.8317 9.8317 10.2244 10.2244 10.7634 10.7634 10.8561 10.8561 11.8552 11.8552 11.9156 11.9156 15.0919 15.0919 15.2034 15.2034 17.3841 17.3841 17.4367 17.4367 k = 0.2353 0.4075 0.3774 ( 2374 PWs) bands (ev): 0.6737 0.6737 0.7194 0.7194 6.0533 6.0533 6.0771 6.0771 7.1669 7.1669 7.3876 7.3876 8.1794 8.1794 8.3497 8.3497 9.1777 9.1777 9.3731 9.3731 9.8540 9.8540 10.2085 10.2085 10.7916 10.7916 10.8735 10.8735 11.8849 11.8849 11.9621 11.9621 14.9856 14.9856 15.0976 15.0976 17.3756 17.3756 17.4199 17.4199 k = 0.2288 0.3962 0.3774 ( 2368 PWs) bands (ev): 0.6482 0.6482 0.6909 0.6909 6.0577 6.0577 6.0750 6.0750 7.1983 7.1983 7.4164 7.4164 8.2089 8.2089 8.3695 8.3695 9.1867 9.1867 9.3732 9.3732 9.8726 9.8726 10.1881 10.1881 10.8313 10.8313 10.9009 10.9009 11.9132 11.9132 12.0068 12.0068 14.8803 14.8803 14.9926 14.9926 17.3669 17.3669 17.4035 17.4035 k = 0.2222 0.3849 0.3774 ( 2364 PWs) bands (ev): 0.6213 0.6213 0.6610 0.6610 6.0664 6.0664 6.0774 6.0774 7.2280 7.2280 7.4428 7.4428 8.2374 8.2374 8.3881 8.3881 9.1960 9.1960 9.3740 9.3740 9.8870 9.8870 10.1644 10.1644 10.8813 10.8813 10.9391 10.9391 11.9397 11.9397 12.0493 12.0493 14.7767 14.7767 14.8893 14.8893 17.3580 17.3580 17.3873 17.3873 k = 0.2157 0.3736 0.3774 ( 2368 PWs) bands (ev): 0.5930 0.5930 0.6298 0.6298 6.0793 6.0793 6.0842 6.0842 7.2559 7.2559 7.4671 7.4671 8.2644 8.2644 8.4051 8.4051 9.2054 9.2054 9.3753 9.3753 9.8969 9.8969 10.1385 10.1385 10.9408 10.9408 10.9883 10.9883 11.9641 11.9641 12.0894 12.0894 14.6760 14.6760 14.7884 14.7884 17.3488 17.3488 17.3714 17.3714 k = 0.2092 0.3623 0.3774 ( 2376 PWs) bands (ev): 0.5636 0.5636 0.5975 0.5975 6.0954 6.0954 6.0963 6.0963 7.2821 7.2821 7.4893 7.4893 8.2896 8.2896 8.4202 8.4202 9.2149 9.2149 9.3774 9.3774 9.9024 9.9024 10.1113 10.1113 11.0085 11.0085 11.0483 11.0483 11.9860 11.9860 12.1263 12.1263 14.5792 14.5792 14.6909 14.6909 17.3393 17.3393 17.3557 17.3557 k = 0.2026 0.3509 0.3774 ( 2376 PWs) bands (ev): 0.5330 0.5330 0.5641 0.5641 6.1109 6.1109 6.1172 6.1172 7.3068 7.3068 7.5098 7.5098 8.3128 8.3128 8.4334 8.4334 9.2244 9.2244 9.3800 9.3800 9.9039 9.9039 10.0838 10.0838 11.0837 11.0837 11.1186 11.1186 12.0050 12.0050 12.1594 12.1594 14.4872 14.4872 14.5975 14.5975 17.3298 17.3298 17.3404 17.3404 k = 0.1961 0.3396 0.3774 ( 2372 PWs) bands (ev): 0.5016 0.5016 0.5299 0.5300 6.1305 6.1305 6.1420 6.1420 7.3300 7.3300 7.5285 7.5285 8.3335 8.3335 8.4446 8.4446 9.2339 9.2339 9.3833 9.3833 9.9019 9.9019 10.0564 10.0564 11.1655 11.1655 11.1982 11.1982 12.0207 12.0207 12.1883 12.1883 14.4013 14.4013 14.5092 14.5092 17.3203 17.3203 17.3257 17.3257 k = 0.1895 0.3283 0.3774 ( 2372 PWs) bands (ev): 0.4693 0.4693 0.4951 0.4951 6.1541 6.1541 6.1705 6.1705 7.3517 7.3517 7.5456 7.5456 8.3518 8.3518 8.4536 8.4536 9.2435 9.2435 9.3871 9.3871 9.8970 9.8970 10.0297 10.0297 11.2528 11.2528 11.2862 11.2862 12.0328 12.0328 12.2122 12.2122 14.3227 14.3227 14.4268 14.4268 17.3111 17.3111 17.3118 17.3118 k = 0.1830 0.3170 0.3774 ( 2372 PWs) bands (ev): 0.4365 0.4365 0.4598 0.4598 6.1816 6.1816 6.2025 6.2025 7.3721 7.3721 7.5612 7.5612 8.3675 8.3675 8.4604 8.4604 9.2531 9.2531 9.3915 9.3915 9.8900 9.8900 10.0039 10.0039 11.3446 11.3446 11.3809 11.3809 12.0411 12.0411 12.2307 12.2307 14.2525 14.2525 14.3513 14.3513 17.2990 17.2990 17.3024 17.3024 k = 0.1765 0.3057 0.3774 ( 2380 PWs) bands (ev): 0.4032 0.4032 0.4242 0.4242 6.2128 6.2128 6.2379 6.2379 7.3912 7.3912 7.5752 7.5752 8.3805 8.3805 8.4651 8.4651 9.2628 9.2628 9.3964 9.3964 9.8814 9.8814 9.9794 9.9794 11.4394 11.4394 11.4806 11.4806 12.0461 12.0461 12.2437 12.2437 14.1919 14.1919 14.2834 14.2834 17.2874 17.2874 17.2945 17.2945 k = 0.1699 0.2943 0.3774 ( 2376 PWs) bands (ev): 0.3696 0.3696 0.3884 0.3884 6.2477 6.2477 6.2765 6.2765 7.4090 7.4090 7.5879 7.5879 8.3909 8.3909 8.4677 8.4677 9.2727 9.2727 9.4018 9.4018 9.8718 9.8718 9.9561 9.9561 11.5353 11.5353 11.5823 11.5823 12.0491 12.0491 12.2519 12.2519 14.1419 14.1419 14.2241 14.2241 17.2775 17.2775 17.2877 17.2877 k = 0.1634 0.2830 0.3774 ( 2384 PWs) bands (ev): 0.3358 0.3358 0.3526 0.3526 6.2859 6.2859 6.3183 6.3183 7.4256 7.4256 7.5991 7.5991 8.3987 8.3987 8.4683 8.4683 9.2828 9.2828 9.4075 9.4075 9.8615 9.8615 9.9344 9.9344 11.6288 11.6288 11.6804 11.6804 12.0546 12.0546 12.2574 12.2574 14.1033 14.1033 14.1739 14.1739 17.2696 17.2696 17.2823 17.2823 k = 0.1569 0.2717 0.3774 ( 2388 PWs) bands (ev): 0.3021 0.3021 0.3169 0.3169 6.3273 6.3273 6.3629 6.3629 7.4409 7.4409 7.6090 7.6090 8.4040 8.4040 8.4670 8.4670 9.2933 9.2933 9.4137 9.4137 9.8510 9.8510 9.9140 9.9140 11.7146 11.7146 11.7628 11.7628 12.0735 12.0735 12.2649 12.2649 14.0763 14.0763 14.1334 14.1334 17.2640 17.2640 17.2786 17.2786 k = 0.1503 0.2604 0.3774 ( 2390 PWs) bands (ev): 0.2686 0.2686 0.2816 0.2816 6.3718 6.3718 6.4102 6.4102 7.4551 7.4551 7.6176 7.6176 8.4068 8.4068 8.4639 8.4639 9.3041 9.3041 9.4202 9.4202 9.8403 9.8403 9.8951 9.8951 11.7838 11.7838 11.8108 11.8108 12.1238 12.1238 12.2831 12.2831 14.0610 14.0610 14.1029 14.1029 17.2610 17.2610 17.2769 17.2769 k = 0.1438 0.2491 0.3774 ( 2390 PWs) bands (ev): 0.2353 0.2353 0.2467 0.2467 6.4192 6.4192 6.4600 6.4600 7.4681 7.4681 7.6248 7.6248 8.4073 8.4073 8.4590 8.4590 9.3155 9.3155 9.4270 9.4270 9.8299 9.8299 9.8777 9.8777 11.8179 11.8179 11.8256 11.8256 12.2115 12.2115 12.3226 12.3226 14.0567 14.0567 14.0822 14.0822 17.2610 17.2610 17.2776 17.2776 k = 0.1373 0.2377 0.3774 ( 2382 PWs) bands (ev): 0.2026 0.2026 0.2125 0.2125 6.4693 6.4693 6.5121 6.5121 7.4801 7.4801 7.6308 7.6308 8.4056 8.4056 8.4525 8.4525 9.3273 9.3273 9.4341 9.4341 9.8197 9.8197 9.8615 9.8615 11.7968 11.7968 11.8344 11.8344 12.3235 12.3235 12.3895 12.3895 14.0627 14.0627 14.0711 14.0711 17.2644 17.2644 17.2811 17.2811 k = 0.1307 0.2264 0.3774 ( 2382 PWs) bands (ev): 0.1704 0.1704 0.1790 0.1790 6.5218 6.5218 6.5664 6.5664 7.4909 7.4909 7.6355 7.6355 8.4019 8.4019 8.4444 8.4444 9.3397 9.3397 9.4414 9.4414 9.8098 9.8098 9.8465 9.8465 11.7593 11.7593 11.8144 11.8144 12.4481 12.4481 12.4802 12.4802 14.0692 14.0692 14.0778 14.0778 17.2716 17.2716 17.2876 17.2876 k = 0.1242 0.2151 0.3774 ( 2390 PWs) bands (ev): 0.1390 0.1390 0.1463 0.1463 6.5765 6.5765 6.6226 6.6226 7.5008 7.5008 7.6390 7.6390 8.3961 8.3961 8.4349 8.4349 9.3527 9.3527 9.4489 9.4489 9.8002 9.8002 9.8326 9.8326 11.7115 11.7115 11.7740 11.7740 12.5792 12.5792 12.5872 12.5872 14.0757 14.0757 14.1005 14.1005 17.2828 17.2828 17.2974 17.2974 k = 0.1176 0.2038 0.3774 ( 2390 PWs) bands (ev): 0.1084 0.1084 0.1147 0.1147 6.6333 6.6333 6.6806 6.6806 7.5097 7.5097 7.6414 7.6414 8.3885 8.3885 8.4239 8.4239 9.3662 9.3662 9.4566 9.4566 9.7911 9.7911 9.8197 9.8197 11.6566 11.6566 11.7203 11.7203 12.7041 12.7041 12.7139 12.7139 14.0898 14.0898 14.1297 14.1297 17.2986 17.2986 17.3111 17.3111 k = 0.1111 0.1925 0.3774 ( 2382 PWs) bands (ev): 0.0789 0.0789 0.0841 0.0841 6.6919 6.6919 6.7400 6.7400 7.5176 7.5176 7.6428 7.6428 8.3792 8.3792 8.4116 8.4116 9.3803 9.3803 9.4645 9.4645 9.7822 9.7822 9.8077 9.8077 11.5968 11.5968 11.6579 11.6579 12.8270 12.8270 12.8505 12.8505 14.1107 14.1107 14.1639 14.1639 17.3191 17.3191 17.3288 17.3288 k = 0.1046 0.1811 0.3774 ( 2384 PWs) bands (ev): 0.0504 0.0504 0.0548 0.0548 6.7521 6.7521 6.8006 6.8006 7.5247 7.5247 7.6431 7.6431 8.3682 8.3682 8.3980 8.3980 9.3948 9.3948 9.4725 9.4725 9.7736 9.7736 9.7963 9.7963 11.5335 11.5335 11.5900 11.5900 12.9533 12.9533 12.9875 12.9875 14.1373 14.1373 14.2018 14.2018 17.3446 17.3446 17.3508 17.3508 k = 0.0980 0.1698 0.3774 ( 2380 PWs) bands (ev): 0.0231 0.0231 0.0267 0.0267 6.8136 6.8136 6.8622 6.8622 7.5311 7.5311 7.6425 7.6425 8.3556 8.3556 8.3831 8.3831 9.4097 9.4097 9.4806 9.4806 9.7653 9.7653 9.7855 9.7855 11.4681 11.4681 11.5191 11.5191 13.0813 13.0813 13.1239 13.1239 14.1689 14.1689 14.2423 14.2423 17.3754 17.3754 17.3774 17.3774 k = 0.0915 0.1585 0.3774 ( 2376 PWs) bands (ev): -0.0028 -0.0028 0.0001 0.0001 6.8761 6.8761 6.9246 6.9246 7.5367 7.5367 7.6411 7.6411 8.3416 8.3416 8.3668 8.3668 9.4250 9.4250 9.4888 9.4888 9.7571 9.7571 9.7752 9.7752 11.4017 11.4017 11.4466 11.4466 13.2097 13.2097 13.2587 13.2587 14.2044 14.2044 14.2843 14.2843 17.4088 17.4088 17.4116 17.4116 k = 0.0850 0.1472 0.3774 ( 2372 PWs) bands (ev): -0.0274 -0.0274 -0.0251 -0.0251 6.9394 6.9394 6.9873 6.9873 7.5418 7.5418 7.6389 7.6389 8.3262 8.3262 8.3492 8.3492 9.4404 9.4404 9.4971 9.4971 9.7490 9.7490 9.7653 9.7653 11.3353 11.3353 11.3741 11.3741 13.3373 13.3373 13.3908 13.3908 14.2432 14.2432 14.3269 14.3269 17.4449 17.4449 17.4530 17.4530 k = 0.0784 0.1358 0.3774 ( 2370 PWs) bands (ev): -0.0505 -0.0505 -0.0487 -0.0487 7.0031 7.0031 7.0501 7.0501 7.5463 7.5463 7.6361 7.6361 8.3093 8.3093 8.3303 8.3303 9.4559 9.4559 9.5054 9.5054 9.7410 9.7410 9.7555 9.7555 11.2700 11.2700 11.3028 11.3028 13.4629 13.4629 13.5192 13.5192 14.2844 14.2844 14.3692 14.3692 17.4857 17.4857 17.4992 17.4992 k = 0.0719 0.1245 0.3774 ( 2378 PWs) bands (ev): -0.0720 -0.0720 -0.0706 -0.0706 7.0668 7.0668 7.1126 7.1126 7.5504 7.5504 7.6329 7.6329 8.2911 8.2911 8.3100 8.3100 9.4714 9.4714 9.5138 9.5138 9.7330 9.7330 9.7459 9.7459 11.2065 11.2065 11.2335 11.2335 13.5857 13.5857 13.6426 13.6426 14.3275 14.3275 14.4104 14.4104 17.5305 17.5305 17.5495 17.5495 k = 0.0654 0.1132 0.3774 ( 2374 PWs) bands (ev): -0.0919 -0.0919 -0.0909 -0.0909 7.1303 7.1303 7.1744 7.1744 7.5542 7.5542 7.6292 7.6292 8.2716 8.2716 8.2884 8.2884 9.4867 9.4867 9.5222 9.5222 9.7250 9.7250 9.7364 9.7364 11.1457 11.1457 11.1673 11.1673 13.7043 13.7043 13.7599 13.7599 14.3717 14.3717 14.4501 14.4501 17.5786 17.5786 17.6025 17.6025 k = 0.0588 0.1019 0.3774 ( 2374 PWs) bands (ev): -0.1101 -0.1101 -0.1094 -0.1094 7.1928 7.1928 7.2349 7.2349 7.5578 7.5578 7.6252 7.6252 8.2508 8.2508 8.2654 8.2654 9.5017 9.5017 9.5307 9.5307 9.7169 9.7169 9.7268 9.7268 11.0882 11.0882 11.1050 11.1050 13.8176 13.8176 13.8696 13.8696 14.4166 14.4166 14.4879 14.4879 17.6284 17.6284 17.6559 17.6559 k = 0.0523 0.0906 0.3774 ( 2378 PWs) bands (ev): -0.1266 -0.1266 -0.1260 -0.1260 7.2541 7.2541 7.2936 7.2936 7.5613 7.5613 7.6211 7.6211 8.2290 8.2290 8.2412 8.2412 9.5163 9.5163 9.5392 9.5392 9.7088 9.7088 9.7172 9.7172 11.0347 11.0347 11.0472 11.0472 13.9241 13.9241 13.9704 13.9704 14.4616 14.4616 14.5234 14.5234 17.6773 17.6773 17.7063 17.7063 k = 0.0458 0.0792 0.3774 ( 2376 PWs) bands (ev): -0.1412 -0.1412 -0.1408 -0.1408 7.3133 7.3133 7.3498 7.3498 7.5649 7.5649 7.6169 7.6169 8.2061 8.2061 8.2161 8.2161 9.5304 9.5304 9.5477 9.5477 9.7006 9.7006 9.7076 9.7076 10.9859 10.9859 10.9948 10.9948 14.0222 14.0222 14.0610 14.0610 14.5062 14.5062 14.5565 14.5565 17.7218 17.7218 17.7494 17.7494 k = 0.0392 0.0679 0.3774 ( 2372 PWs) bands (ev): -0.1540 -0.1540 -0.1538 -0.1538 7.3697 7.3697 7.4025 7.4025 7.5688 7.5688 7.6128 7.6128 8.1827 8.1827 8.1904 8.1904 9.5438 9.5438 9.5562 9.5562 9.6925 9.6925 9.6980 9.6980 10.9423 10.9423 10.9482 10.9482 14.1104 14.1104 14.1402 14.1402 14.5494 14.5494 14.5873 14.5873 17.7578 17.7578 17.7806 17.7806 k = 0.0327 0.0566 0.3774 ( 2372 PWs) bands (ev): -0.1649 -0.1649 -0.1647 -0.1647 7.4220 7.4220 7.4502 7.4502 7.5735 7.5735 7.6092 7.6092 8.1593 8.1593 8.1646 8.1646 9.5564 9.5564 9.5646 9.5646 9.6845 9.6845 9.6885 9.6885 10.9045 10.9045 10.9080 10.9080 14.1867 14.1867 14.2073 14.2073 14.5901 14.5901 14.6158 14.6158 17.7818 17.7818 17.7976 17.7976 k = 0.0261 0.0453 0.3774 ( 2368 PWs) bands (ev): -0.1738 -0.1738 -0.1738 -0.1738 7.4689 7.4689 7.4911 7.4911 7.5795 7.5795 7.6062 7.6062 8.1366 8.1366 8.1399 8.1399 9.5679 9.5679 9.5728 9.5728 9.6767 9.6767 9.6793 9.6793 10.8727 10.8727 10.8746 10.8746 14.2498 14.2498 14.2620 14.2620 14.6267 14.6267 14.6417 14.6417 17.7930 17.7930 17.8020 17.8020 k = 0.0196 0.0340 0.3774 ( 2368 PWs) bands (ev): -0.1808 -0.1808 -0.1808 -0.1808 7.5081 7.5081 7.5226 7.5226 7.5880 7.5880 7.6046 7.6046 8.1159 8.1159 8.1176 8.1176 9.5781 9.5781 9.5806 9.5806 9.6693 9.6693 9.6707 9.6707 10.8476 10.8476 10.8484 10.8484 14.2986 14.2986 14.3043 14.3043 14.6574 14.6574 14.6643 14.6643 17.7943 17.7943 17.7982 17.7982 k = 0.0131 0.0226 0.3774 ( 2368 PWs) bands (ev): -0.1858 -0.1858 -0.1858 -0.1858 7.5366 7.5366 7.5426 7.5426 7.5988 7.5988 7.6056 7.6056 8.0988 8.0988 8.0994 8.0994 9.5865 9.5865 9.5873 9.5873 9.6630 9.6630 9.6635 9.6635 10.8293 10.8293 10.8296 10.8296 14.3327 14.3327 14.3345 14.3345 14.6804 14.6804 14.6826 14.6826 17.7902 17.7902 17.7914 17.7914 k = 0.0065 0.0113 0.3774 ( 2372 PWs) bands (ev): -0.1889 -0.1889 -0.1889 -0.1889 7.5520 7.5520 7.5528 7.5528 7.6082 7.6082 7.6092 7.6092 8.0873 8.0873 8.0874 8.0874 9.5921 9.5921 9.5922 9.5922 9.6583 9.6583 9.6584 9.6584 10.8182 10.8182 10.8182 10.8182 14.3526 14.3526 14.3528 14.3528 14.6945 14.6945 14.6948 14.6948 17.7856 17.7856 17.7857 17.7857 k = 0.0000 0.0000 0.3774 ( 2372 PWs) bands (ev): -0.1899 -0.1899 -0.1899 -0.1899 7.5561 7.5561 7.5561 7.5561 7.6116 7.6116 7.6116 7.6116 8.0832 8.0832 8.0832 8.0832 9.5941 9.5941 9.5941 9.5941 9.6566 9.6566 9.6566 9.6566 10.8145 10.8145 10.8145 10.8145 14.3590 14.3590 14.3590 14.3590 14.6991 14.6991 14.6991 14.6991 17.7836 17.7836 17.7836 17.7836 k = 0.5000 0.2887 0.3774 ( 2388 PWs) bands (ev): 0.7705 0.7705 0.7705 0.7705 5.6938 5.6938 5.6938 5.6938 7.6015 7.6015 7.6015 7.6015 8.2676 8.2676 8.2676 8.2676 9.3245 9.3245 9.3245 9.3245 10.0965 10.0965 10.0965 10.0965 10.4631 10.4631 10.4631 10.4631 12.9114 12.9114 12.9114 12.9114 14.0658 14.0658 14.0658 14.0658 16.1164 16.1164 16.1164 16.1164 k = 0.5000 0.2887 0.3644 ( 2388 PWs) bands (ev): 0.7697 0.7697 0.7709 0.7709 5.6424 5.6424 5.7472 5.7472 7.5530 7.5530 7.6503 7.6503 8.2245 8.2245 8.3102 8.3102 9.2913 9.2913 9.3556 9.3556 10.0792 10.0792 10.1156 10.1156 10.4462 10.4462 10.4832 10.4832 12.8108 12.8108 13.0140 13.0140 13.9719 13.9719 14.1590 14.1590 15.9972 15.9972 16.2343 16.2343 k = 0.5000 0.2887 0.3514 ( 2380 PWs) bands (ev): 0.7683 0.7683 0.7706 0.7706 5.5931 5.5931 5.8027 5.8027 7.5051 7.5051 7.6989 7.6989 8.1815 8.1815 8.3518 8.3518 9.2571 9.2571 9.3839 9.3839 10.0640 10.0640 10.1361 10.1361 10.4335 10.4335 10.5057 10.5057 12.7126 12.7126 13.1183 13.1183 13.8779 13.8779 14.2514 14.2514 15.8781 15.8781 16.3495 16.3495 k = 0.5000 0.2887 0.3384 ( 2386 PWs) bands (ev): 0.7663 0.7663 0.7698 0.7698 5.5457 5.5457 5.8603 5.8603 7.4580 7.4580 7.7466 7.7466 8.1395 8.1395 8.3920 8.3920 9.2227 9.2227 9.4083 9.4083 10.0509 10.0509 10.1567 10.1567 10.4262 10.4262 10.5302 10.5302 12.6167 12.6167 13.2234 13.2234 13.7847 13.7847 14.3426 14.3426 15.7606 15.7606 16.4606 16.4606 k = 0.5000 0.2887 0.3254 ( 2386 PWs) bands (ev): 0.7638 0.7638 0.7685 0.7685 5.5003 5.5003 5.9200 5.9200 7.4119 7.4119 7.7920 7.7920 8.1002 8.1002 8.4305 8.4305 9.1891 9.1891 9.4282 9.4282 10.0395 10.0395 10.1760 10.1760 10.4258 10.4258 10.5563 10.5563 12.5234 12.5234 13.3271 13.3271 13.6947 13.6947 14.4325 14.4325 15.6460 15.6460 16.5664 16.5664 k = 0.5000 0.2887 0.3124 ( 2386 PWs) bands (ev): 0.7608 0.7608 0.7667 0.7667 5.4568 5.4568 5.9817 5.9817 7.3668 7.3668 7.8321 7.8321 8.0668 8.0668 8.4671 8.4671 9.1570 9.1570 9.4434 9.4434 10.0293 10.0293 10.1922 10.1922 10.4339 10.4339 10.5838 10.5838 12.4328 12.4328 13.4178 13.4178 13.6197 13.6197 14.5208 14.5208 15.5358 15.5358 16.6657 16.6657 k = 0.5000 0.2887 0.2993 ( 2392 PWs) bands (ev): 0.7573 0.7573 0.7644 0.7644 5.4150 5.4150 6.0455 6.0455 7.3230 7.3230 7.8598 7.8598 8.0465 8.0465 8.5015 8.5015 9.1268 9.1268 9.4536 9.4536 10.0196 10.0196 10.2043 10.2043 10.4508 10.4508 10.6126 10.6126 12.3449 12.3449 13.4348 13.4348 13.6205 13.6205 14.6072 14.6072 15.4317 15.4317 16.7573 16.7573 k = 0.5000 0.2887 0.2863 ( 2388 PWs) bands (ev): 0.7534 0.7534 0.7617 0.7617 5.3750 5.3750 6.1112 6.1112 7.2805 7.2805 7.8653 7.8653 8.0493 8.0493 8.5336 8.5336 9.0991 9.0991 9.4592 9.4592 10.0099 10.0099 10.2123 10.2123 10.4756 10.4756 10.6427 10.6427 12.2599 12.2599 13.3657 13.3657 13.7096 13.7096 14.6911 14.6911 15.3357 15.3357 16.8406 16.8406 k = 0.5000 0.2887 0.2733 ( 2388 PWs) bands (ev): 0.7491 0.7491 0.7586 0.7586 5.3367 5.3367 6.1788 6.1788 7.2394 7.2394 7.8486 7.8486 8.0752 8.0752 8.5632 8.5632 9.0744 9.0744 9.4605 9.4605 9.9998 9.9998 10.2169 10.2169 10.5059 10.5059 10.6739 10.6739 12.1778 12.1778 13.2780 13.2780 13.8196 13.8196 14.7711 14.7711 15.2505 15.2505 16.9149 16.9149 k = 0.5000 0.2887 0.2603 ( 2388 PWs) bands (ev): 0.7445 0.7445 0.7552 0.7552 5.3001 5.3001 6.2482 6.2482 7.1999 7.1999 7.8203 7.8203 8.1138 8.1138 8.5903 8.5903 9.0529 9.0529 9.4581 9.4581 9.9887 9.9887 10.2192 10.2192 10.5390 10.5390 10.7064 10.7064 12.0989 12.0989 13.1871 13.1871 13.9352 13.9352 14.8430 14.8430 15.1816 15.1816 16.9800 16.9800 k = 0.5000 0.2887 0.2473 ( 2398 PWs) bands (ev): 0.7395 0.7395 0.7515 0.7515 5.2651 5.2651 6.3191 6.3191 7.1620 7.1620 7.7877 7.7877 8.1576 8.1576 8.6147 8.6147 9.0351 9.0351 9.4525 9.4525 9.9768 9.9768 10.2197 10.2197 10.5726 10.5726 10.7401 10.7401 12.0233 12.0233 13.0960 13.0960 14.0533 14.0533 14.8956 14.8956 15.1417 15.1417 17.0361 17.0361 k = 0.5000 0.2887 0.2343 ( 2390 PWs) bands (ev): 0.7343 0.7343 0.7475 0.7475 5.2317 5.2317 6.3915 6.3915 7.1259 7.1259 7.7542 7.7542 8.2031 8.2031 8.6365 8.6365 9.0211 9.0211 9.4443 9.4443 9.9639 9.9639 10.2187 10.2187 10.6045 10.6045 10.7747 10.7747 11.9510 11.9510 13.0061 13.0061 14.1725 14.1725 14.9105 14.9105 15.1509 15.1509 17.0834 17.0834 k = 0.5000 0.2887 0.2213 ( 2392 PWs) bands (ev): 0.7288 0.7288 0.7434 0.7434 5.1998 5.1998 6.4649 6.4649 7.0917 7.0917 7.7214 7.7214 8.2487 8.2487 8.6557 8.6557 9.0112 9.0112 9.4337 9.4337 9.9502 9.9502 10.2162 10.2162 10.6336 10.6336 10.8096 10.8096 11.8824 11.8824 12.9179 12.9179 14.2916 14.2916 14.8940 14.8940 15.2044 15.2044 17.1225 17.1225 k = 0.5000 0.2887 0.2082 ( 2388 PWs) bands (ev): 0.7233 0.7233 0.7391 0.7391 5.1695 5.1695 6.5391 6.5391 7.0597 7.0597 7.6898 7.6898 8.2934 8.2934 8.6723 8.6723 9.0055 9.0055 9.4211 9.4211 9.9359 9.9359 10.2120 10.2120 10.6591 10.6591 10.8442 10.8442 11.8176 11.8176 12.8321 12.8321 14.4090 14.4090 14.8716 14.8716 15.2788 15.2788 17.1542 17.1542 k = 0.5000 0.2887 0.1952 ( 2394 PWs) bands (ev): 0.7176 0.7176 0.7348 0.7348 5.1407 5.1407 6.6135 6.6135 7.0302 7.0302 7.6601 7.6601 8.3363 8.3363 8.6867 8.6867 9.0041 9.0041 9.4067 9.4067 9.9211 9.9211 10.2059 10.2059 10.6805 10.6805 10.8775 10.8775 11.7568 11.7568 12.7491 12.7491 14.5211 14.5211 14.8588 14.8588 15.3627 15.3627 17.1794 17.1794 k = 0.5000 0.2887 0.1822 ( 2390 PWs) bands (ev): 0.7119 0.7119 0.7305 0.7305 5.1135 5.1135 6.6871 6.6871 7.0038 7.0038 7.6323 7.6323 8.3770 8.3770 8.6990 8.6990 9.0069 9.0069 9.3908 9.3908 9.9061 9.9061 10.1978 10.1978 10.6978 10.6978 10.9088 10.9088 11.7003 11.7003 12.6693 12.6693 14.6197 14.6197 14.8672 14.8672 15.4526 15.4526 17.1989 17.1989 k = 0.5000 0.2887 0.1692 ( 2386 PWs) bands (ev): 0.7063 0.7063 0.7261 0.7261 5.0879 5.0879 6.7577 6.7577 6.9825 6.9825 7.6066 7.6066 8.4148 8.4148 8.7095 8.7095 9.0138 9.0138 9.3734 9.3734 9.8910 9.8910 10.1875 10.1875 10.7108 10.7108 10.9374 10.9374 11.6484 11.6484 12.5933 12.5933 14.6899 14.6899 14.9124 14.9124 15.5475 15.5475 17.2136 17.2136 k = 0.5000 0.2887 0.1562 ( 2390 PWs) bands (ev): 0.7008 0.7008 0.7219 0.7219 5.0639 5.0639 6.8195 6.8195 6.9718 6.9718 7.5832 7.5832 8.4493 8.4493 8.7186 8.7186 9.0247 9.0247 9.3545 9.3545 9.8759 9.8759 10.1752 10.1752 10.7195 10.7195 10.9632 10.9632 11.6012 11.6012 12.5213 12.5213 14.7288 14.7288 14.9969 14.9969 15.6472 15.6472 17.2244 17.2244 k = 0.5000 0.2887 0.1432 ( 2390 PWs) bands (ev): 0.6954 0.6954 0.7179 0.7179 5.0416 5.0416 6.8564 6.8564 6.9871 6.9871 7.5619 7.5619 8.4800 8.4800 8.7266 8.7266 9.0391 9.0391 9.3345 9.3345 9.8609 9.8609 10.1609 10.1609 10.7242 10.7242 10.9858 10.9858 11.5590 11.5590 12.4539 12.4539 14.7532 14.7532 15.1027 15.1027 15.7517 15.7517 17.2319 17.2319 k = 0.5000 0.2887 0.1301 ( 2386 PWs) bands (ev): 0.6903 0.6903 0.7140 0.7140 5.0209 5.0209 6.8611 6.8611 7.0353 7.0353 7.5429 7.5429 8.5068 8.5068 8.7336 8.7336 9.0568 9.0568 9.3134 9.3134 9.8462 9.8462 10.1451 10.1451 10.7250 10.7250 11.0054 11.0054 11.5218 11.5218 12.3915 12.3915 14.7746 14.7746 15.2169 15.2169 15.8610 15.8610 17.2369 17.2369 k = 0.5000 0.2887 0.1171 ( 2390 PWs) bands (ev): 0.6855 0.6855 0.7103 0.7103 5.0020 5.0020 6.8513 6.8513 7.0979 7.0979 7.5260 7.5260 8.5293 8.5293 8.7399 8.7399 9.0772 9.0772 9.2915 9.2915 9.8318 9.8318 10.1281 10.1281 10.7223 10.7223 11.0220 11.0220 11.4896 11.4896 12.3343 12.3343 14.7965 14.7965 15.3344 15.3344 15.9746 15.9746 17.2398 17.2398 k = 0.5000 0.2887 0.1041 ( 2390 PWs) bands (ev): 0.6810 0.6810 0.7070 0.7070 4.9850 4.9850 6.8381 6.8381 7.1631 7.1631 7.5115 7.5115 8.5475 8.5475 8.7457 8.7457 9.0994 9.0994 9.2693 9.2693 9.8179 9.8179 10.1103 10.1103 10.7166 10.7166 11.0360 11.0360 11.4622 11.4622 12.2826 12.2826 14.8194 14.8194 15.4531 15.4531 16.0915 16.0915 17.2413 17.2413 k = 0.5000 0.2887 0.0911 ( 2388 PWs) bands (ev): 0.6769 0.6769 0.7039 0.7039 4.9697 4.9697 6.8248 6.8248 7.2264 7.2264 7.4992 7.4992 8.5616 8.5616 8.7511 8.7511 9.1227 9.1227 9.2471 9.2471 9.8047 9.8047 10.0925 10.0925 10.7088 10.7088 11.0475 11.0475 11.4394 11.4394 12.2368 12.2368 14.8425 14.8425 15.5719 15.5719 16.2099 16.2099 17.2418 17.2418 k = 0.5000 0.2887 0.0781 ( 2388 PWs) bands (ev): 0.6733 0.6733 0.7012 0.7012 4.9564 4.9564 6.8126 6.8126 7.2853 7.2853 7.4895 7.4895 8.5718 8.5718 8.7562 8.7562 9.1458 9.1458 9.2260 9.2260 9.7922 9.7922 10.0752 10.0752 10.6995 10.6995 11.0569 11.0569 11.4206 11.4206 12.1970 12.1970 14.8650 14.8650 15.6898 15.6898 16.3270 16.3270 17.2415 17.2415 k = 0.5000 0.2887 0.0651 ( 2380 PWs) bands (ev): 0.6701 0.6701 0.6988 0.6988 4.9451 4.9451 6.8019 6.8019 7.3376 7.3376 7.4829 7.4829 8.5783 8.5783 8.7611 8.7611 9.1669 9.1669 9.2073 9.2073 9.7808 9.7808 10.0590 10.0590 10.6897 10.6897 11.0644 11.0644 11.4056 11.4056 12.1633 12.1633 14.8857 14.8857 15.8052 15.8052 16.4385 16.4385 17.2408 17.2408 k = 0.5000 0.2887 0.0521 ( 2380 PWs) bands (ev): 0.6675 0.6675 0.6969 0.6969 4.9357 4.9357 6.7929 6.7929 7.3803 7.3803 7.4807 7.4807 8.5819 8.5819 8.7655 8.7655 9.1772 9.1772 9.1996 9.1996 9.7706 9.7706 10.0447 10.0447 10.6803 10.6803 11.0702 11.0702 11.3939 11.3939 12.1358 12.1358 14.9038 14.9038 15.9157 15.9157 16.5381 16.5381 17.2399 17.2399 k = 0.5000 0.2887 0.0390 ( 2380 PWs) bands (ev): 0.6654 0.6654 0.6953 0.6953 4.9284 4.9284 6.7859 6.7859 7.4095 7.4095 7.4851 7.4851 8.5833 8.5833 8.7695 8.7695 9.1679 9.1679 9.2114 9.2114 9.7622 9.7622 10.0328 10.0328 10.6721 10.6721 11.0745 11.0745 11.3852 11.3852 12.1144 12.1144 14.9186 14.9186 16.0171 16.0171 16.6180 16.6180 17.2391 17.2391 k = 0.5000 0.2887 0.0260 ( 2380 PWs) bands (ev): 0.6639 0.6639 0.6942 0.6942 4.9232 4.9232 6.7808 6.7808 7.4241 7.4241 7.4959 7.4959 8.5834 8.5834 8.7725 8.7725 9.1575 9.1575 9.2239 9.2239 9.7558 9.7558 10.0239 10.0239 10.6657 10.6657 11.0775 11.0775 11.3791 11.3791 12.0992 12.0992 14.9295 14.9295 16.1025 16.1025 16.6713 16.6713 17.2384 17.2384 k = 0.5000 0.2887 0.0130 ( 2386 PWs) bands (ev): 0.6630 0.6630 0.6936 0.6936 4.9200 4.9200 6.7777 6.7777 7.4293 7.4293 7.5065 7.5065 8.5831 8.5831 8.7745 8.7745 9.1507 9.1507 9.2320 9.2320 9.7517 9.7517 10.0184 10.0184 10.6617 10.6617 11.0793 11.0793 11.3756 11.3756 12.0901 12.0901 14.9362 14.9362 16.1617 16.1617 16.6976 16.6976 17.2379 17.2379 k = 0.5000 0.2887-0.0000 ( 2382 PWs) bands (ev): 0.6627 0.6627 0.6933 0.6933 4.9190 4.9190 6.7767 6.7767 7.4305 7.4305 7.5106 7.5106 8.5829 8.5829 8.7752 8.7752 9.1484 9.1484 9.2349 9.2349 9.7504 9.7504 10.0165 10.0165 10.6603 10.6603 11.0799 11.0799 11.3744 11.3744 12.0871 12.0871 14.9384 14.9384 16.1833 16.1833 16.7047 16.7047 17.2378 17.2378 k = 0.3333 0.5774-0.0000 ( 2388 PWs) bands (ev): 0.8054 0.8054 0.8806 0.8806 4.8105 4.8105 6.5010 6.5010 6.5781 6.5781 7.9734 7.9734 8.0453 8.0453 8.4519 8.4519 9.3125 9.3125 9.7973 9.7973 10.2359 10.2359 10.4007 10.4007 10.9838 10.9838 11.3563 11.3563 12.0251 12.0251 12.3443 12.3443 12.9549 12.9549 13.2045 13.2045 16.2153 16.2153 18.2670 18.2670 k = 0.3333 0.5774 0.0130 ( 2394 PWs) bands (ev): 0.8055 0.8055 0.8807 0.8807 4.8128 4.8128 6.5009 6.5009 6.5780 6.5780 7.9729 7.9729 8.0460 8.0460 8.4519 8.4519 9.3130 9.3130 9.7816 9.7816 10.2393 10.2393 10.4060 10.4060 10.9831 10.9831 11.3553 11.3553 12.0183 12.0183 12.3363 12.3363 12.9685 12.9685 13.2150 13.2150 16.2168 16.2168 18.2671 18.2671 k = 0.3333 0.5774 0.0260 ( 2394 PWs) bands (ev): 0.8059 0.8059 0.8811 0.8811 4.8199 4.8199 6.5009 6.5009 6.5777 6.5777 7.9714 7.9714 8.0480 8.0480 8.4520 8.4520 9.3144 9.3144 9.7378 9.7378 10.2464 10.2464 10.4218 10.4218 10.9811 10.9811 11.3523 11.3523 11.9988 11.9988 12.3144 12.3144 13.0074 13.0074 13.2457 13.2457 16.2216 16.2216 18.2674 18.2674 k = 0.3333 0.5774 0.0390 ( 2403 PWs) bands (ev): 0.8066 0.8066 0.8817 0.8817 4.8317 4.8317 6.5008 6.5008 6.5773 6.5773 7.9690 7.9690 8.0512 8.0512 8.4522 8.4522 9.3166 9.3166 9.6729 9.6729 10.2520 10.2520 10.4460 10.4460 10.9781 10.9781 11.3474 11.3474 11.9683 11.9683 12.2827 12.2827 13.0668 13.0668 13.2947 13.2947 16.2297 16.2297 18.2677 18.2677 k = 0.3333 0.5774 0.0521 ( 2403 PWs) bands (ev): 0.8075 0.8075 0.8826 0.8826 4.8483 4.8483 6.5007 6.5007 6.5767 6.5767 7.9658 7.9658 8.0556 8.0556 8.4529 8.4529 9.3196 9.3196 9.5931 9.5931 10.2536 10.2536 10.4751 10.4751 10.9745 10.9745 11.3406 11.3406 11.9295 11.9295 12.2457 12.2457 13.1422 13.1422 13.3595 13.3595 16.2414 16.2414 18.2682 18.2682 k = 0.3333 0.5774 0.0651 ( 2403 PWs) bands (ev): 0.8086 0.8086 0.8837 0.8837 4.8695 4.8695 6.5005 6.5005 6.5758 6.5758 7.9618 7.9618 8.0608 8.0608 8.4544 8.4544 9.3234 9.3234 9.5026 9.5026 10.2506 10.2506 10.5052 10.5052 10.9708 10.9708 11.3318 11.3318 11.8848 11.8848 12.2064 12.2064 13.2300 13.2300 13.4374 13.4374 16.2570 16.2570 18.2687 18.2687 k = 0.3333 0.5774 0.0781 ( 2409 PWs) bands (ev): 0.8099 0.8099 0.8850 0.8850 4.8953 4.8953 6.5002 6.5002 6.5747 6.5747 7.9572 7.9572 8.0667 8.0667 8.4569 8.4569 9.3278 9.3278 9.4044 9.4044 10.2434 10.2434 10.5331 10.5331 10.9673 10.9673 11.3213 11.3213 11.8363 11.8363 12.1668 12.1668 13.3277 13.3277 13.5264 13.5264 16.2770 16.2770 18.2692 18.2692 k = 0.3333 0.5774 0.0911 ( 2409 PWs) bands (ev): 0.8115 0.8115 0.8866 0.8866 4.9258 4.9258 6.4998 6.4998 6.5734 6.5734 7.9522 7.9522 8.0730 8.0730 8.4610 8.4610 9.3001 9.3001 9.3328 9.3328 10.2322 10.2322 10.5569 10.5569 10.9647 10.9647 11.3090 11.3090 11.7859 11.7859 12.1279 12.1279 13.4335 13.4335 13.6245 13.6245 16.3016 16.3016 18.2696 18.2696 k = 0.3333 0.5774 0.1041 ( 2406 PWs) bands (ev): 0.8132 0.8132 0.8883 0.8883 4.9608 4.9608 6.4992 6.4992 6.5718 6.5718 7.9469 7.9469 8.0792 8.0792 8.4672 8.4672 9.1912 9.1912 9.3381 9.3381 10.2173 10.2173 10.5756 10.5756 10.9630 10.9630 11.2952 11.2952 11.7349 11.7349 12.0901 12.0901 13.5464 13.5464 13.7302 13.7302 16.3314 16.3314 18.2698 18.2698 k = 0.3333 0.5774 0.1171 ( 2412 PWs) bands (ev): 0.8152 0.8152 0.8902 0.8902 5.0004 5.0004 6.4985 6.4985 6.5699 6.5699 7.9414 7.9414 8.0851 8.0851 8.4758 8.4758 9.0787 9.0787 9.3437 9.3437 10.1987 10.1987 10.5886 10.5886 10.9628 10.9628 11.2799 11.2799 11.6842 11.6842 12.0536 12.0536 13.6655 13.6655 13.8424 13.8424 16.3665 16.3665 18.2697 18.2697 k = 0.3333 0.5774 0.1301 ( 2412 PWs) bands (ev): 0.8172 0.8172 0.8922 0.8922 5.0444 5.0444 6.4976 6.4976 6.5677 6.5677 7.9360 7.9360 8.0902 8.0902 8.4873 8.4873 8.9634 8.9634 9.3494 9.3494 10.1767 10.1767 10.5959 10.5959 10.9640 10.9640 11.2632 11.2632 11.6348 11.6348 12.0182 12.0182 13.7899 13.7899 13.9601 13.9601 16.4072 16.4072 18.2692 18.2692 k = 0.3333 0.5774 0.1432 ( 2412 PWs) bands (ev): 0.8194 0.8194 0.8944 0.8944 5.0928 5.0928 6.4965 6.4965 6.5652 6.5652 7.9307 7.9307 8.0945 8.0945 8.5017 8.5017 8.8462 8.8462 9.3552 9.3552 10.1514 10.1514 10.5974 10.5974 10.9668 10.9668 11.2454 11.2454 11.5871 11.5871 11.9839 11.9839 13.9193 13.9193 14.0826 14.0826 16.4536 16.4536 18.2682 18.2682 k = 0.3333 0.5774 0.1562 ( 2412 PWs) bands (ev): 0.8217 0.8217 0.8966 0.8966 5.1456 5.1456 6.4952 6.4952 6.5624 6.5624 7.9257 7.9257 8.0974 8.0974 8.5186 8.5186 8.7286 8.7286 9.3609 9.3609 10.1231 10.1231 10.5931 10.5931 10.9715 10.9715 11.2267 11.2267 11.5414 11.5414 11.9503 11.9503 14.0531 14.0531 14.2091 14.2091 16.5057 16.5057 18.2666 18.2666 k = 0.3333 0.5774 0.1692 ( 2412 PWs) bands (ev): 0.8241 0.8241 0.8989 0.8989 5.2026 5.2026 6.4937 6.4937 6.5593 6.5593 7.9211 7.9211 8.0988 8.0988 8.5316 8.5316 8.6176 8.6176 9.3664 9.3664 10.0923 10.0923 10.5831 10.5831 10.9782 10.9782 11.2074 11.2074 11.4981 11.4981 11.9173 11.9173 14.1907 14.1907 14.3390 14.3390 16.5633 16.5633 18.2641 18.2641 k = 0.3333 0.5774 0.1822 ( 2406 PWs) bands (ev): 0.8266 0.8266 0.9013 0.9013 5.2638 5.2638 6.4919 6.4919 6.5560 6.5560 7.9170 7.9170 8.0980 8.0980 8.4723 8.4723 8.5828 8.5828 9.3715 9.3715 10.0593 10.0593 10.5676 10.5676 10.9871 10.9871 11.1877 11.1877 11.4573 11.4573 11.8847 11.8847 14.3319 14.3319 14.4718 14.4718 16.6262 16.6262 18.2606 18.2606 k = 0.3333 0.5774 0.1952 ( 2409 PWs) bands (ev): 0.8290 0.8290 0.9037 0.9037 5.3291 5.3291 6.4899 6.4899 6.5523 6.5523 7.9134 7.9134 8.0933 8.0933 8.3605 8.3605 8.6064 8.6064 9.3763 9.3763 10.0246 10.0246 10.5470 10.5470 10.9982 10.9982 11.1680 11.1680 11.4189 11.4189 11.8523 11.8523 14.4761 14.4761 14.6067 14.6067 16.6939 16.6939 18.2560 18.2560 k = 0.3333 0.5774 0.2082 ( 2403 PWs) bands (ev): 0.8314 0.8314 0.9061 0.9061 5.3983 5.3983 6.4878 6.4878 6.5485 6.5485 7.9105 7.9105 8.0782 8.0782 8.2535 8.2535 8.6379 8.6379 9.3805 9.3805 9.9886 9.9886 10.5216 10.5216 11.0116 11.0116 11.1486 11.1486 11.3831 11.3831 11.8200 11.8200 14.6228 14.6228 14.7432 14.7432 16.7659 16.7659 18.2500 18.2500 k = 0.3333 0.5774 0.2213 ( 2397 PWs) bands (ev): 0.8339 0.8339 0.9085 0.9085 5.4714 5.4714 6.4854 6.4854 6.5446 6.5446 7.9082 7.9082 8.0308 8.0308 8.1773 8.1773 8.6732 8.6732 9.3843 9.3843 9.9515 9.9515 10.4922 10.4922 11.0271 11.0271 11.1300 11.1300 11.3497 11.3497 11.7879 11.7879 14.7715 14.7715 14.8805 14.8805 16.8416 16.8416 18.2425 18.2425 k = 0.3333 0.5774 0.2343 ( 2391 PWs) bands (ev): 0.8362 0.8362 0.9108 0.9108 5.5482 5.5482 6.4830 6.4830 6.5405 6.5405 7.9065 7.9065 7.9370 7.9370 8.1469 8.1469 8.7115 8.7115 9.3876 9.3876 9.9138 9.9138 10.4594 10.4594 11.0444 11.0444 11.1123 11.1123 11.3187 11.3187 11.7559 11.7559 14.9215 14.9215 15.0178 15.0178 16.9202 16.9202 18.2334 18.2334 k = 0.3333 0.5774 0.2473 ( 2391 PWs) bands (ev): 0.8384 0.8384 0.9129 0.9129 5.6287 5.6287 6.4805 6.4805 6.5365 6.5365 7.8230 7.8230 7.9053 7.9053 8.1368 8.1368 8.7522 8.7522 9.3903 9.3903 9.8758 9.8758 10.4244 10.4244 11.0635 11.0635 11.0960 11.0960 11.2900 11.2900 11.7240 11.7240 15.0719 15.0719 15.1541 15.1541 17.0008 17.0008 18.2223 18.2223 k = 0.3333 0.5774 0.2603 ( 2385 PWs) bands (ev): 0.8406 0.8406 0.9150 0.9150 5.7126 5.7126 6.4780 6.4780 6.5325 6.5325 7.7034 7.7034 7.9047 7.9047 8.1328 8.1328 8.7948 8.7948 9.3925 9.3925 9.8376 9.8376 10.3879 10.3879 11.0812 11.0812 11.0839 11.0839 11.2634 11.2634 11.6925 11.6925 15.2219 15.2219 15.2883 15.2883 17.0827 17.0827 18.2093 18.2093 k = 0.3333 0.5774 0.2733 ( 2391 PWs) bands (ev): 0.8425 0.8425 0.9170 0.9170 5.7998 5.7998 6.4755 6.4755 6.5286 6.5286 7.5823 7.5823 7.9044 7.9044 8.1311 8.1311 8.8387 8.8387 9.3941 9.3941 9.7994 9.7994 10.3512 10.3512 11.0682 11.0682 11.1054 11.1054 11.2391 11.2391 11.6614 11.6614 15.3701 15.3701 15.4189 15.4189 17.1649 17.1649 18.1942 18.1942 k = 0.3333 0.5774 0.2863 ( 2391 PWs) bands (ev): 0.8443 0.8443 0.9187 0.9187 5.8901 5.8901 6.4731 6.4731 6.5250 6.5250 7.4612 7.4612 7.9045 7.9045 8.1304 8.1304 8.8832 8.8832 9.3954 9.3954 9.7616 9.7616 10.3152 10.3152 11.0572 11.0572 11.1276 11.1276 11.2170 11.2170 11.6310 11.6310 15.5148 15.5148 15.5443 15.5443 17.2465 17.2465 18.1770 18.1770 k = 0.3333 0.5774 0.2993 ( 2385 PWs) bands (ev): 0.8460 0.8460 0.9203 0.9203 5.9831 5.9831 6.4709 6.4709 6.5217 6.5217 7.3408 7.3408 7.9049 7.9049 8.1304 8.1304 8.9276 8.9276 9.3963 9.3963 9.7245 9.7245 10.2812 10.2812 11.0480 11.0480 11.1501 11.1501 11.1972 11.1972 11.6016 11.6016 15.6539 15.6539 15.6623 15.6623 17.3265 17.3265 18.1577 18.1577 k = 0.3333 0.5774 0.3124 ( 2391 PWs) bands (ev): 0.8474 0.8474 0.9217 0.9217 6.0786 6.0786 6.4690 6.4690 6.5187 6.5187 7.2220 7.2220 7.9054 7.9054 8.1307 8.1307 8.9708 8.9708 9.3968 9.3968 9.6887 9.6887 10.2503 10.2503 11.0408 11.0408 11.1724 11.1724 11.1798 11.1798 11.5736 11.5736 15.7704 15.7704 15.7846 15.7846 17.4039 17.4039 18.1365 18.1365 k = 0.3333 0.5774 0.3254 ( 2391 PWs) bands (ev): 0.8485 0.8485 0.9228 0.9228 6.1759 6.1759 6.4674 6.4674 6.5162 6.5162 7.1053 7.1053 7.9060 7.9060 8.1311 8.1311 9.0113 9.0113 9.3972 9.3972 9.6550 9.6550 10.2234 10.2234 11.0353 11.0353 11.1650 11.1650 11.1937 11.1937 11.5477 11.5477 15.8658 15.8658 15.9029 15.9029 17.4776 17.4776 18.1138 18.1138 k = 0.3333 0.5774 0.3384 ( 2385 PWs) bands (ev): 0.8494 0.8494 0.9237 0.9237 6.2738 6.2738 6.4664 6.4664 6.5142 6.5142 6.9922 6.9922 7.9065 7.9065 8.1316 8.1316 9.0473 9.0473 9.3974 9.3974 9.6248 9.6248 10.2014 10.2014 11.0314 11.0314 11.1531 11.1531 11.2130 11.2130 11.5248 11.5248 15.9451 15.9451 16.0042 16.0042 17.5457 17.5457 18.0896 18.0896 k = 0.3333 0.5774 0.3514 ( 2382 PWs) bands (ev): 0.8501 0.8501 0.9244 0.9244 6.3689 6.3689 6.4663 6.4663 6.5127 6.5127 6.8853 6.8853 7.9069 7.9069 8.1320 8.1320 9.0763 9.0763 9.3974 9.3974 9.6003 9.6003 10.1852 10.1852 11.0289 11.0289 11.1443 11.1443 11.2290 11.2290 11.5064 11.5064 16.0050 16.0050 16.0829 16.0829 17.6051 17.6051 18.0645 18.0645 k = 0.3333 0.5774 0.3644 ( 2373 PWs) bands (ev): 0.8505 0.8505 0.9248 0.9248 6.4450 6.4450 6.4749 6.4749 6.5118 6.5118 6.7936 6.7936 7.9072 7.9072 8.1323 8.1323 9.0954 9.0954 9.3975 9.3975 9.5839 9.5839 10.1753 10.1753 11.0276 11.0276 11.1389 11.1389 11.2398 11.2398 11.4941 11.4941 16.0424 16.0424 16.1331 16.1331 17.6489 17.6489 18.0418 18.0418 k = 0.3333 0.5774 0.3774 ( 2388 PWs) bands (ev): 0.8507 0.8507 0.9249 0.9249 6.4578 6.4578 6.5035 6.5035 6.5115 6.5115 6.7497 6.7497 7.9073 7.9073 8.1324 8.1324 9.1022 9.1022 9.3975 9.3975 9.5782 9.5782 10.1719 10.1719 11.0272 11.0272 11.1370 11.1370 11.2436 11.2436 11.4898 11.4898 16.0551 16.0551 16.1504 16.1504 17.6658 17.6658 18.0317 18.0317 Writing output data file TePt.save init_run : 0.29s CPU 0.46s WALL ( 1 calls) electrons : 97.50s CPU 99.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 97.49s CPU 99.86s 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 : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.03s WALL ( 340 calls) cegterg : 90.49s CPU 92.39s WALL ( 461 calls) Called by sum_band: Called by *egterg: h_psi : 46.63s CPU 48.07s WALL ( 7366 calls) s_psi : 4.20s CPU 4.40s WALL ( 7366 calls) g_psi : 0.14s CPU 0.14s WALL ( 6565 calls) cdiaghg : 36.15s CPU 36.53s WALL ( 6905 calls) cegterg:over : 3.28s CPU 3.33s WALL ( 6565 calls) cegterg:upda : 2.24s CPU 2.29s WALL ( 6565 calls) cegterg:last : 1.50s CPU 1.50s WALL ( 1481 calls) cdiaghg:chol : 2.00s CPU 1.96s WALL ( 6905 calls) cdiaghg:inve : 1.16s CPU 1.14s WALL ( 6905 calls) cdiaghg:para : 1.94s CPU 2.06s WALL ( 13810 calls) Called by h_psi: h_psi:vloc : 37.84s CPU 39.01s WALL ( 7366 calls) h_psi:vnl : 8.70s CPU 8.94s WALL ( 7366 calls) add_vuspsi : 4.86s CPU 5.02s WALL ( 7366 calls) General routines calbec : 3.81s CPU 3.90s WALL ( 7366 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.40s CPU 35.43s WALL ( 768264 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.20s WALL ( 680 calls) Parallel routines fft_scatter : 16.90s CPU 17.55s WALL ( 768287 calls) PWSCF : 1m48.38s CPU 2m 7.36s WALL This run was terminated on: 21:10:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=