Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 6:33 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: ./SbPd.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 61 26 7 3221 904 141 Max 62 27 8 3228 927 152 Sum 2221 955 283 116107 32985 5241 bravais-lattice index = 14 lattice parameter (alat) = 7.6912 a.u. unit-cell volume = 540.3881 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.691185 celldm(2)= 1.000000 celldm(3)= 1.371499 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 1.371499 ) 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 0.729129 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Sb 5.00 121.76000 Sb( 1.00) Pd 18.00 106.42000 Pd( 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 ) ( -0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( -0.6857494 ) 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 ) ( -0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( -0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( 0.6857494 ) 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 ) ( -0.6857494 ) 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 ) ( -0.6857494 ) 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= 342 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0029240 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0029240 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0029240 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0029240 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0029240 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0029240 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0029240 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0029240 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0029240 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0029240 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0029240 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0029240 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0029240 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0029240 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029240 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0029240 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0029240 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0029240 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0029240 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0029240 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0029240 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0029240 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0029240 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0029240 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0029240 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0029240 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0029240 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0029240 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0029240 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029240 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0029240 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0029240 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0029240 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0029240 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0029240 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0029240 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0029240 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0029240 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0029240 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0029240 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0029240 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0029240 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0029240 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0029240 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029240 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029240 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029240 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029240 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029240 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029240 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029240 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029240 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029240 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029240 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029240 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029240 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029240 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029240 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029240 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029240 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029240 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029240 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029240 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029240 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029240 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029240 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029240 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029240 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029240 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029240 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029240 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029240 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029240 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0029240 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0029240 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0029240 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0029240 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0029240 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0029240 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0029240 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0029240 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0029240 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0029240 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0029240 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0029240 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0029240 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0029240 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0029240 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0029240 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0029240 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0029240 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0029240 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0029240 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0029240 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0029240 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0029240 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0029240 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0029240 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029240 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0029240 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0029240 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0029240 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0029240 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0029240 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0029240 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0029240 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0029240 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0029240 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0029240 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0029240 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0029240 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0029240 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0029240 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0029240 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0029240 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0029240 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0029240 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0029240 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0029240 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0029240 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0029240 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0029240 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0029240 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0029240 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 128) = ( 0.0000000 0.0000000 0.0125712), wk = 0.0029240 k( 129) = ( 0.0000000 0.0000000 0.0251424), wk = 0.0029240 k( 130) = ( 0.0000000 0.0000000 0.0377136), wk = 0.0029240 k( 131) = ( 0.0000000 0.0000000 0.0502848), wk = 0.0029240 k( 132) = ( 0.0000000 0.0000000 0.0628560), wk = 0.0029240 k( 133) = ( 0.0000000 0.0000000 0.0754272), wk = 0.0029240 k( 134) = ( 0.0000000 0.0000000 0.0879984), wk = 0.0029240 k( 135) = ( 0.0000000 0.0000000 0.1005696), wk = 0.0029240 k( 136) = ( 0.0000000 0.0000000 0.1131408), wk = 0.0029240 k( 137) = ( 0.0000000 0.0000000 0.1257120), wk = 0.0029240 k( 138) = ( 0.0000000 0.0000000 0.1382831), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.1508543), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.1634255), wk = 0.0029240 k( 141) = ( 0.0000000 0.0000000 0.1759967), wk = 0.0029240 k( 142) = ( 0.0000000 0.0000000 0.1885679), wk = 0.0029240 k( 143) = ( 0.0000000 0.0000000 0.2011391), wk = 0.0029240 k( 144) = ( 0.0000000 0.0000000 0.2137103), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.2262815), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.2388527), wk = 0.0029240 k( 147) = ( 0.0000000 0.0000000 0.2514239), wk = 0.0029240 k( 148) = ( 0.0000000 0.0000000 0.2639951), wk = 0.0029240 k( 149) = ( 0.0000000 0.0000000 0.2765663), wk = 0.0029240 k( 150) = ( 0.0000000 0.0000000 0.2891375), wk = 0.0029240 k( 151) = ( 0.0000000 0.0000000 0.3017087), wk = 0.0029240 k( 152) = ( 0.0000000 0.0000000 0.3142799), wk = 0.0029240 k( 153) = ( 0.0000000 0.0000000 0.3268511), wk = 0.0029240 k( 154) = ( 0.0000000 0.0000000 0.3394223), wk = 0.0029240 k( 155) = ( 0.0000000 0.0000000 0.3519935), wk = 0.0029240 k( 156) = ( 0.0000000 0.0000000 0.3645647), wk = 0.0029240 k( 157) = ( 0.0000000 0.0000000 0.3645647), wk = 0.0029240 k( 158) = ( 0.0111111 0.0064150 0.3645647), wk = 0.0029240 k( 159) = ( 0.0222222 0.0128300 0.3645647), wk = 0.0029240 k( 160) = ( 0.0333333 0.0192450 0.3645647), wk = 0.0029240 k( 161) = ( 0.0444444 0.0256600 0.3645647), wk = 0.0029240 k( 162) = ( 0.0555556 0.0320750 0.3645647), wk = 0.0029240 k( 163) = ( 0.0666667 0.0384900 0.3645647), wk = 0.0029240 k( 164) = ( 0.0777778 0.0449050 0.3645647), wk = 0.0029240 k( 165) = ( 0.0888889 0.0513200 0.3645647), wk = 0.0029240 k( 166) = ( 0.1000000 0.0577350 0.3645647), wk = 0.0029240 k( 167) = ( 0.1111111 0.0641500 0.3645647), wk = 0.0029240 k( 168) = ( 0.1222222 0.0705650 0.3645647), wk = 0.0029240 k( 169) = ( 0.1333333 0.0769800 0.3645647), wk = 0.0029240 k( 170) = ( 0.1444444 0.0833950 0.3645647), wk = 0.0029240 k( 171) = ( 0.1555556 0.0898100 0.3645647), wk = 0.0029240 k( 172) = ( 0.1666667 0.0962250 0.3645647), wk = 0.0029240 k( 173) = ( 0.1777778 0.1026400 0.3645647), wk = 0.0029240 k( 174) = ( 0.1888889 0.1090551 0.3645647), wk = 0.0029240 k( 175) = ( 0.2000000 0.1154701 0.3645647), wk = 0.0029240 k( 176) = ( 0.2111111 0.1218851 0.3645647), wk = 0.0029240 k( 177) = ( 0.2222222 0.1283001 0.3645647), wk = 0.0029240 k( 178) = ( 0.2333333 0.1347151 0.3645647), wk = 0.0029240 k( 179) = ( 0.2444444 0.1411301 0.3645647), wk = 0.0029240 k( 180) = ( 0.2555556 0.1475451 0.3645647), wk = 0.0029240 k( 181) = ( 0.2666667 0.1539601 0.3645647), wk = 0.0029240 k( 182) = ( 0.2777778 0.1603751 0.3645647), wk = 0.0029240 k( 183) = ( 0.2888889 0.1667901 0.3645647), wk = 0.0029240 k( 184) = ( 0.3000000 0.1732051 0.3645647), wk = 0.0029240 k( 185) = ( 0.3111111 0.1796201 0.3645647), wk = 0.0029240 k( 186) = ( 0.3222222 0.1860351 0.3645647), wk = 0.0029240 k( 187) = ( 0.3333333 0.1924501 0.3645647), wk = 0.0029240 k( 188) = ( 0.3444444 0.1988651 0.3645647), wk = 0.0029240 k( 189) = ( 0.3555556 0.2052801 0.3645647), wk = 0.0029240 k( 190) = ( 0.3666667 0.2116951 0.3645647), wk = 0.0029240 k( 191) = ( 0.3777778 0.2181101 0.3645647), wk = 0.0029240 k( 192) = ( 0.3888889 0.2245251 0.3645647), wk = 0.0029240 k( 193) = ( 0.4000000 0.2309401 0.3645647), wk = 0.0029240 k( 194) = ( 0.4111111 0.2373551 0.3645647), wk = 0.0029240 k( 195) = ( 0.4222222 0.2437701 0.3645647), wk = 0.0029240 k( 196) = ( 0.4333333 0.2501851 0.3645647), wk = 0.0029240 k( 197) = ( 0.4444444 0.2566001 0.3645647), wk = 0.0029240 k( 198) = ( 0.4555556 0.2630151 0.3645647), wk = 0.0029240 k( 199) = ( 0.4666667 0.2694301 0.3645647), wk = 0.0029240 k( 200) = ( 0.4777778 0.2758451 0.3645647), wk = 0.0029240 k( 201) = ( 0.4888889 0.2822601 0.3645647), wk = 0.0029240 k( 202) = ( 0.5000000 0.2886751 0.3645647), wk = 0.0029240 k( 203) = ( 0.5000000 0.2886751 0.3645647), wk = 0.0029240 k( 204) = ( 0.4935897 0.2997780 0.3645647), wk = 0.0029240 k( 205) = ( 0.4871795 0.3108809 0.3645647), wk = 0.0029240 k( 206) = ( 0.4807692 0.3219838 0.3645647), wk = 0.0029240 k( 207) = ( 0.4743590 0.3330867 0.3645647), wk = 0.0029240 k( 208) = ( 0.4679487 0.3441896 0.3645647), wk = 0.0029240 k( 209) = ( 0.4615385 0.3552925 0.3645647), wk = 0.0029240 k( 210) = ( 0.4551282 0.3663954 0.3645647), wk = 0.0029240 k( 211) = ( 0.4487179 0.3774983 0.3645647), wk = 0.0029240 k( 212) = ( 0.4423077 0.3886011 0.3645647), wk = 0.0029240 k( 213) = ( 0.4358974 0.3997040 0.3645647), wk = 0.0029240 k( 214) = ( 0.4294872 0.4108069 0.3645647), wk = 0.0029240 k( 215) = ( 0.4230769 0.4219098 0.3645647), wk = 0.0029240 k( 216) = ( 0.4166667 0.4330127 0.3645647), wk = 0.0029240 k( 217) = ( 0.4102564 0.4441156 0.3645647), wk = 0.0029240 k( 218) = ( 0.4038462 0.4552185 0.3645647), wk = 0.0029240 k( 219) = ( 0.3974359 0.4663214 0.3645647), wk = 0.0029240 k( 220) = ( 0.3910256 0.4774243 0.3645647), wk = 0.0029240 k( 221) = ( 0.3846154 0.4885271 0.3645647), wk = 0.0029240 k( 222) = ( 0.3782051 0.4996300 0.3645647), wk = 0.0029240 k( 223) = ( 0.3717949 0.5107329 0.3645647), wk = 0.0029240 k( 224) = ( 0.3653846 0.5218358 0.3645647), wk = 0.0029240 k( 225) = ( 0.3589744 0.5329387 0.3645647), wk = 0.0029240 k( 226) = ( 0.3525641 0.5440416 0.3645647), wk = 0.0029240 k( 227) = ( 0.3461538 0.5551445 0.3645647), wk = 0.0029240 k( 228) = ( 0.3397436 0.5662474 0.3645647), wk = 0.0029240 k( 229) = ( 0.3333333 0.5773503 0.3645647), wk = 0.0029240 k( 230) = ( 0.3333333 0.5773503 0.3645647), wk = 0.0029240 k( 231) = ( 0.3269231 0.5662474 0.3645647), wk = 0.0029240 k( 232) = ( 0.3205128 0.5551445 0.3645647), wk = 0.0029240 k( 233) = ( 0.3141026 0.5440416 0.3645647), wk = 0.0029240 k( 234) = ( 0.3076923 0.5329387 0.3645647), wk = 0.0029240 k( 235) = ( 0.3012821 0.5218358 0.3645647), wk = 0.0029240 k( 236) = ( 0.2948718 0.5107329 0.3645647), wk = 0.0029240 k( 237) = ( 0.2884615 0.4996300 0.3645647), wk = 0.0029240 k( 238) = ( 0.2820513 0.4885271 0.3645647), wk = 0.0029240 k( 239) = ( 0.2756410 0.4774243 0.3645647), wk = 0.0029240 k( 240) = ( 0.2692308 0.4663214 0.3645647), wk = 0.0029240 k( 241) = ( 0.2628205 0.4552185 0.3645647), wk = 0.0029240 k( 242) = ( 0.2564103 0.4441156 0.3645647), wk = 0.0029240 k( 243) = ( 0.2500000 0.4330127 0.3645647), wk = 0.0029240 k( 244) = ( 0.2435897 0.4219098 0.3645647), wk = 0.0029240 k( 245) = ( 0.2371795 0.4108069 0.3645647), wk = 0.0029240 k( 246) = ( 0.2307692 0.3997040 0.3645647), wk = 0.0029240 k( 247) = ( 0.2243590 0.3886011 0.3645647), wk = 0.0029240 k( 248) = ( 0.2179487 0.3774983 0.3645647), wk = 0.0029240 k( 249) = ( 0.2115385 0.3663954 0.3645647), wk = 0.0029240 k( 250) = ( 0.2051282 0.3552925 0.3645647), wk = 0.0029240 k( 251) = ( 0.1987180 0.3441896 0.3645647), wk = 0.0029240 k( 252) = ( 0.1923077 0.3330867 0.3645647), wk = 0.0029240 k( 253) = ( 0.1858974 0.3219838 0.3645647), wk = 0.0029240 k( 254) = ( 0.1794872 0.3108809 0.3645647), wk = 0.0029240 k( 255) = ( 0.1730769 0.2997780 0.3645647), wk = 0.0029240 k( 256) = ( 0.1666667 0.2886751 0.3645647), wk = 0.0029240 k( 257) = ( 0.1602564 0.2775722 0.3645647), wk = 0.0029240 k( 258) = ( 0.1538461 0.2664693 0.3645647), wk = 0.0029240 k( 259) = ( 0.1474359 0.2553665 0.3645647), wk = 0.0029240 k( 260) = ( 0.1410256 0.2442636 0.3645647), wk = 0.0029240 k( 261) = ( 0.1346154 0.2331607 0.3645647), wk = 0.0029240 k( 262) = ( 0.1282051 0.2220578 0.3645647), wk = 0.0029240 k( 263) = ( 0.1217949 0.2109549 0.3645647), wk = 0.0029240 k( 264) = ( 0.1153846 0.1998520 0.3645647), wk = 0.0029240 k( 265) = ( 0.1089744 0.1887491 0.3645647), wk = 0.0029240 k( 266) = ( 0.1025641 0.1776462 0.3645647), wk = 0.0029240 k( 267) = ( 0.0961538 0.1665434 0.3645647), wk = 0.0029240 k( 268) = ( 0.0897436 0.1554405 0.3645647), wk = 0.0029240 k( 269) = ( 0.0833333 0.1443376 0.3645647), wk = 0.0029240 k( 270) = ( 0.0769231 0.1332347 0.3645647), wk = 0.0029240 k( 271) = ( 0.0705128 0.1221318 0.3645647), wk = 0.0029240 k( 272) = ( 0.0641026 0.1110289 0.3645647), wk = 0.0029240 k( 273) = ( 0.0576923 0.0999260 0.3645647), wk = 0.0029240 k( 274) = ( 0.0512821 0.0888231 0.3645647), wk = 0.0029240 k( 275) = ( 0.0448718 0.0777202 0.3645647), wk = 0.0029240 k( 276) = ( 0.0384615 0.0666173 0.3645647), wk = 0.0029240 k( 277) = ( 0.0320513 0.0555144 0.3645647), wk = 0.0029240 k( 278) = ( 0.0256410 0.0444116 0.3645647), wk = 0.0029240 k( 279) = ( 0.0192308 0.0333087 0.3645647), wk = 0.0029240 k( 280) = ( 0.0128205 0.0222058 0.3645647), wk = 0.0029240 k( 281) = ( 0.0064103 0.0111029 0.3645647), wk = 0.0029240 k( 282) = ( 0.0000000 0.0000000 0.3645647), wk = 0.0029240 k( 283) = ( 0.5000000 0.2886751 0.3645647), wk = 0.0029240 k( 284) = ( 0.5000000 0.2886751 0.3519935), wk = 0.0029240 k( 285) = ( 0.5000000 0.2886751 0.3394223), wk = 0.0029240 k( 286) = ( 0.5000000 0.2886751 0.3268511), wk = 0.0029240 k( 287) = ( 0.5000000 0.2886751 0.3142799), wk = 0.0029240 k( 288) = ( 0.5000000 0.2886751 0.3017087), wk = 0.0029240 k( 289) = ( 0.5000000 0.2886751 0.2891375), wk = 0.0029240 k( 290) = ( 0.5000000 0.2886751 0.2765663), wk = 0.0029240 k( 291) = ( 0.5000000 0.2886751 0.2639951), wk = 0.0029240 k( 292) = ( 0.5000000 0.2886751 0.2514239), wk = 0.0029240 k( 293) = ( 0.5000000 0.2886751 0.2388527), wk = 0.0029240 k( 294) = ( 0.5000000 0.2886751 0.2262815), wk = 0.0029240 k( 295) = ( 0.5000000 0.2886751 0.2137103), wk = 0.0029240 k( 296) = ( 0.5000000 0.2886751 0.2011391), wk = 0.0029240 k( 297) = ( 0.5000000 0.2886751 0.1885679), wk = 0.0029240 k( 298) = ( 0.5000000 0.2886751 0.1759967), wk = 0.0029240 k( 299) = ( 0.5000000 0.2886751 0.1634255), wk = 0.0029240 k( 300) = ( 0.5000000 0.2886751 0.1508543), wk = 0.0029240 k( 301) = ( 0.5000000 0.2886751 0.1382831), wk = 0.0029240 k( 302) = ( 0.5000000 0.2886751 0.1257120), wk = 0.0029240 k( 303) = ( 0.5000000 0.2886751 0.1131408), wk = 0.0029240 k( 304) = ( 0.5000000 0.2886751 0.1005696), wk = 0.0029240 k( 305) = ( 0.5000000 0.2886751 0.0879984), wk = 0.0029240 k( 306) = ( 0.5000000 0.2886751 0.0754272), wk = 0.0029240 k( 307) = ( 0.5000000 0.2886751 0.0628560), wk = 0.0029240 k( 308) = ( 0.5000000 0.2886751 0.0502848), wk = 0.0029240 k( 309) = ( 0.5000000 0.2886751 0.0377136), wk = 0.0029240 k( 310) = ( 0.5000000 0.2886751 0.0251424), wk = 0.0029240 k( 311) = ( 0.5000000 0.2886751 0.0125712), wk = 0.0029240 k( 312) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029240 k( 313) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029240 k( 314) = ( 0.3333333 0.5773503 0.0125712), wk = 0.0029240 k( 315) = ( 0.3333333 0.5773503 0.0251424), wk = 0.0029240 k( 316) = ( 0.3333333 0.5773503 0.0377136), wk = 0.0029240 k( 317) = ( 0.3333333 0.5773503 0.0502848), wk = 0.0029240 k( 318) = ( 0.3333333 0.5773503 0.0628560), wk = 0.0029240 k( 319) = ( 0.3333333 0.5773503 0.0754272), wk = 0.0029240 k( 320) = ( 0.3333333 0.5773503 0.0879984), wk = 0.0029240 k( 321) = ( 0.3333333 0.5773503 0.1005696), wk = 0.0029240 k( 322) = ( 0.3333333 0.5773503 0.1131408), wk = 0.0029240 k( 323) = ( 0.3333333 0.5773503 0.1257120), wk = 0.0029240 k( 324) = ( 0.3333333 0.5773503 0.1382831), wk = 0.0029240 k( 325) = ( 0.3333333 0.5773503 0.1508543), wk = 0.0029240 k( 326) = ( 0.3333333 0.5773503 0.1634255), wk = 0.0029240 k( 327) = ( 0.3333333 0.5773503 0.1759967), wk = 0.0029240 k( 328) = ( 0.3333333 0.5773503 0.1885679), wk = 0.0029240 k( 329) = ( 0.3333333 0.5773503 0.2011391), wk = 0.0029240 k( 330) = ( 0.3333333 0.5773503 0.2137103), wk = 0.0029240 k( 331) = ( 0.3333333 0.5773503 0.2262815), wk = 0.0029240 k( 332) = ( 0.3333333 0.5773503 0.2388527), wk = 0.0029240 k( 333) = ( 0.3333333 0.5773503 0.2514239), wk = 0.0029240 k( 334) = ( 0.3333333 0.5773503 0.2639951), wk = 0.0029240 k( 335) = ( 0.3333333 0.5773503 0.2765663), wk = 0.0029240 k( 336) = ( 0.3333333 0.5773503 0.2891375), wk = 0.0029240 k( 337) = ( 0.3333333 0.5773503 0.3017087), wk = 0.0029240 k( 338) = ( 0.3333333 0.5773503 0.3142799), wk = 0.0029240 k( 339) = ( 0.3333333 0.5773503 0.3268511), wk = 0.0029240 k( 340) = ( 0.3333333 0.5773503 0.3394223), wk = 0.0029240 k( 341) = ( 0.3333333 0.5773503 0.3519935), wk = 0.0029240 k( 342) = ( 0.3333333 0.5773503 0.3645647), wk = 0.0029240 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0029240 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0029240 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0029240 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0029240 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0029240 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0029240 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0029240 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0029240 k( 10) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0029240 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0029240 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0029240 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0029240 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0029240 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0029240 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0029240 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0029240 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0029240 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0029240 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0029240 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0029240 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0029240 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0029240 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0029240 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0029240 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0029240 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0029240 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0029240 k( 29) = ( 0.3111111 0.0000000 0.0000000), wk = 0.0029240 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0029240 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029240 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0029240 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0029240 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0029240 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0029240 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0029240 k( 37) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0029240 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0029240 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0029240 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0029240 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0029240 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0029240 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0029240 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0029240 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0029240 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0029240 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0029240 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0029240 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0029240 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0029240 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0029240 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0029240 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0029240 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0029240 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0029240 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0029240 k( 59) = ( 0.4230769 0.1538462 0.0000000), wk = 0.0029240 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029240 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0029240 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0029240 k( 63) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0029240 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0029240 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0029240 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0029240 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0029240 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0029240 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0029240 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0029240 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0029240 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0029240 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029240 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029240 k( 75) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0029240 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0029240 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0029240 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0029240 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0029240 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0029240 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0029240 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0029240 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0029240 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0029240 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0029240 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0029240 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029240 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0029240 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0029240 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0029240 k( 91) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0029240 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0029240 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0029240 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0029240 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0029240 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0029240 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0029240 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0029240 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0029240 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029240 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0029240 k( 102) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0029240 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0029240 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0029240 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0029240 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0029240 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0029240 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0029240 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0029240 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0029240 k( 111) = ( 0.0961538 0.0961539 -0.0000000), wk = 0.0029240 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0029240 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0029240 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0029240 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0029240 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0029240 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0029240 k( 118) = ( 0.0512821 0.0512820 -0.0000000), wk = 0.0029240 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0029240 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0029240 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0029240 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0029240 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0029240 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0029240 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0029240 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029240 k( 128) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0029240 k( 129) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0029240 k( 130) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0029240 k( 131) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0029240 k( 132) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0029240 k( 133) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0029240 k( 134) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0029240 k( 135) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0029240 k( 136) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0029240 k( 137) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0029240 k( 138) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0029240 k( 139) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0029240 k( 140) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0029240 k( 141) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0029240 k( 142) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0029240 k( 143) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0029240 k( 144) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0029240 k( 145) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0029240 k( 146) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0029240 k( 147) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0029240 k( 148) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0029240 k( 149) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0029240 k( 150) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0029240 k( 151) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0029240 k( 152) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0029240 k( 153) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0029240 k( 154) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0029240 k( 155) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0029240 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 158) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0029240 k( 159) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0029240 k( 160) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0029240 k( 161) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0029240 k( 162) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0029240 k( 163) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0029240 k( 164) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0029240 k( 165) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0029240 k( 166) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0029240 k( 167) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0029240 k( 168) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0029240 k( 169) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0029240 k( 170) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0029240 k( 171) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0029240 k( 172) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0029240 k( 173) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0029240 k( 174) = ( 0.1888889 -0.0000000 0.5000000), wk = 0.0029240 k( 175) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0029240 k( 176) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0029240 k( 177) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0029240 k( 178) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0029240 k( 179) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0029240 k( 180) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0029240 k( 181) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0029240 k( 182) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0029240 k( 183) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0029240 k( 184) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0029240 k( 185) = ( 0.3111111 0.0000000 0.5000000), wk = 0.0029240 k( 186) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0029240 k( 187) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0029240 k( 188) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0029240 k( 189) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0029240 k( 190) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0029240 k( 191) = ( 0.3777778 -0.0000000 0.5000000), wk = 0.0029240 k( 192) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0029240 k( 193) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0029240 k( 194) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0029240 k( 195) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0029240 k( 196) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0029240 k( 197) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0029240 k( 198) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0029240 k( 199) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0029240 k( 200) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0029240 k( 201) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0029240 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 203) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 204) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029240 k( 205) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029240 k( 206) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029240 k( 207) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0029240 k( 208) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029240 k( 209) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029240 k( 210) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029240 k( 211) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029240 k( 212) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029240 k( 213) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029240 k( 214) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029240 k( 215) = ( 0.4230769 0.1538462 0.5000000), wk = 0.0029240 k( 216) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029240 k( 217) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029240 k( 218) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029240 k( 219) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029240 k( 220) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029240 k( 221) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029240 k( 222) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029240 k( 223) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029240 k( 224) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029240 k( 225) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029240 k( 226) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029240 k( 227) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029240 k( 228) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029240 k( 229) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029240 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029240 k( 231) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0029240 k( 232) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0029240 k( 233) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0029240 k( 234) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0029240 k( 235) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0029240 k( 236) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0029240 k( 237) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0029240 k( 238) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0029240 k( 239) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0029240 k( 240) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0029240 k( 241) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0029240 k( 242) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0029240 k( 243) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029240 k( 244) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0029240 k( 245) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0029240 k( 246) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0029240 k( 247) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0029240 k( 248) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0029240 k( 249) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0029240 k( 250) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0029240 k( 251) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0029240 k( 252) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0029240 k( 253) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0029240 k( 254) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0029240 k( 255) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0029240 k( 256) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029240 k( 257) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0029240 k( 258) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0029240 k( 259) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0029240 k( 260) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0029240 k( 261) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0029240 k( 262) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0029240 k( 263) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0029240 k( 264) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0029240 k( 265) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0029240 k( 266) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0029240 k( 267) = ( 0.0961538 0.0961539 0.5000000), wk = 0.0029240 k( 268) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0029240 k( 269) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0029240 k( 270) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0029240 k( 271) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0029240 k( 272) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0029240 k( 273) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0029240 k( 274) = ( 0.0512821 0.0512820 0.5000000), wk = 0.0029240 k( 275) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0029240 k( 276) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0029240 k( 277) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0029240 k( 278) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0029240 k( 279) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0029240 k( 280) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0029240 k( 281) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0029240 k( 282) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029240 k( 283) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029240 k( 284) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0029240 k( 285) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0029240 k( 286) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0029240 k( 287) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0029240 k( 288) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0029240 k( 289) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0029240 k( 290) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0029240 k( 291) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0029240 k( 292) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0029240 k( 293) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0029240 k( 294) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0029240 k( 295) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0029240 k( 296) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0029240 k( 297) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0029240 k( 298) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0029240 k( 299) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0029240 k( 300) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0029240 k( 301) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0029240 k( 302) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0029240 k( 303) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0029240 k( 304) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0029240 k( 305) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0029240 k( 306) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0029240 k( 307) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0029240 k( 308) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0029240 k( 309) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0029240 k( 310) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0029240 k( 311) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0029240 k( 312) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029240 k( 313) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029240 k( 314) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0029240 k( 315) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0029240 k( 316) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0029240 k( 317) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0029240 k( 318) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0029240 k( 319) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0029240 k( 320) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0029240 k( 321) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0029240 k( 322) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0029240 k( 323) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0029240 k( 324) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0029240 k( 325) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0029240 k( 326) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0029240 k( 327) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0029240 k( 328) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0029240 k( 329) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0029240 k( 330) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0029240 k( 331) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0029240 k( 332) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0029240 k( 333) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0029240 k( 334) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0029240 k( 335) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0029240 k( 336) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0029240 k( 337) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0029240 k( 338) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0029240 k( 339) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0029240 k( 340) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0029240 k( 341) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0029240 k( 342) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029240 Dense grid: 116107 G-vectors FFT dimensions: ( 60, 60, 80) Smooth grid: 32985 G-vectors FFT dimensions: ( 40, 40, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 240, 56) NL pseudopotentials 0.25 Mb ( 120, 136) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.02 Mb ( 3221) G-vector shells 0.01 Mb ( 1488) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 240, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) The potential is recalculated from file : ./SbPd.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.8 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.3 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.2 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.4 secs Computing kpt #: 34 total cpu time spent up to now is 16.8 secs Computing kpt #: 35 total cpu time spent up to now is 17.3 secs Computing kpt #: 36 total cpu time spent up to now is 17.7 secs Computing kpt #: 37 total cpu time spent up to now is 18.1 secs Computing kpt #: 38 total cpu time spent up to now is 18.5 secs Computing kpt #: 39 total cpu time spent up to now is 19.0 secs Computing kpt #: 40 total cpu time spent up to now is 19.4 secs Computing kpt #: 41 total cpu time spent up to now is 19.8 secs Computing kpt #: 42 total cpu time spent up to now is 20.2 secs Computing kpt #: 43 total cpu time spent up to now is 20.7 secs Computing kpt #: 44 total cpu time spent up to now is 21.1 secs Computing kpt #: 45 total cpu time spent up to now is 21.5 secs Computing kpt #: 46 total cpu time spent up to now is 21.9 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.7 secs Computing kpt #: 49 total cpu time spent up to now is 23.1 secs Computing kpt #: 50 total cpu time spent up to now is 23.5 secs Computing kpt #: 51 total cpu time spent up to now is 23.9 secs Computing kpt #: 52 total cpu time spent up to now is 24.3 secs Computing kpt #: 53 total cpu time spent up to now is 24.6 secs Computing kpt #: 54 total cpu time spent up to now is 25.0 secs Computing kpt #: 55 total cpu time spent up to now is 25.4 secs Computing kpt #: 56 total cpu time spent up to now is 25.7 secs Computing kpt #: 57 total cpu time spent up to now is 26.1 secs Computing kpt #: 58 total cpu time spent up to now is 26.5 secs Computing kpt #: 59 total cpu time spent up to now is 26.8 secs Computing kpt #: 60 total cpu time spent up to now is 27.3 secs Computing kpt #: 61 total cpu time spent up to now is 27.9 secs Computing kpt #: 62 total cpu time spent up to now is 28.4 secs Computing kpt #: 63 total cpu time spent up to now is 28.8 secs Computing kpt #: 64 total cpu time spent up to now is 29.2 secs Computing kpt #: 65 total cpu time spent up to now is 29.6 secs Computing kpt #: 66 total cpu time spent up to now is 30.0 secs Computing kpt #: 67 total cpu time spent up to now is 30.3 secs Computing kpt #: 68 total cpu time spent up to now is 30.7 secs Computing kpt #: 69 total cpu time spent up to now is 31.1 secs Computing kpt #: 70 total cpu time spent up to now is 31.5 secs Computing kpt #: 71 total cpu time spent up to now is 31.9 secs Computing kpt #: 72 total cpu time spent up to now is 32.3 secs Computing kpt #: 73 total cpu time spent up to now is 32.6 secs Computing kpt #: 74 total cpu time spent up to now is 33.0 secs Computing kpt #: 75 total cpu time spent up to now is 33.4 secs Computing kpt #: 76 total cpu time spent up to now is 33.8 secs Computing kpt #: 77 total cpu time spent up to now is 34.2 secs Computing kpt #: 78 total cpu time spent up to now is 34.6 secs Computing kpt #: 79 total cpu time spent up to now is 35.0 secs Computing kpt #: 80 total cpu time spent up to now is 35.4 secs Computing kpt #: 81 total cpu time spent up to now is 35.8 secs Computing kpt #: 82 total cpu time spent up to now is 36.2 secs Computing kpt #: 83 total cpu time spent up to now is 36.6 secs Computing kpt #: 84 total cpu time spent up to now is 37.0 secs Computing kpt #: 85 total cpu time spent up to now is 37.4 secs Computing kpt #: 86 total cpu time spent up to now is 37.7 secs Computing kpt #: 87 total cpu time spent up to now is 38.1 secs Computing kpt #: 88 total cpu time spent up to now is 38.5 secs Computing kpt #: 89 total cpu time spent up to now is 38.9 secs Computing kpt #: 90 total cpu time spent up to now is 39.3 secs Computing kpt #: 91 total cpu time spent up to now is 39.7 secs Computing kpt #: 92 total cpu time spent up to now is 40.1 secs Computing kpt #: 93 total cpu time spent up to now is 40.6 secs Computing kpt #: 94 total cpu time spent up to now is 41.0 secs Computing kpt #: 95 total cpu time spent up to now is 41.4 secs Computing kpt #: 96 total cpu time spent up to now is 41.8 secs Computing kpt #: 97 total cpu time spent up to now is 42.2 secs Computing kpt #: 98 total cpu time spent up to now is 42.7 secs Computing kpt #: 99 total cpu time spent up to now is 43.1 secs Computing kpt #: 100 total cpu time spent up to now is 43.6 secs Computing kpt #: 101 total cpu time spent up to now is 44.0 secs Computing kpt #: 102 total cpu time spent up to now is 44.4 secs Computing kpt #: 103 total cpu time spent up to now is 44.9 secs Computing kpt #: 104 total cpu time spent up to now is 45.3 secs Computing kpt #: 105 total cpu time spent up to now is 45.8 secs Computing kpt #: 106 total cpu time spent up to now is 46.2 secs Computing kpt #: 107 total cpu time spent up to now is 46.7 secs Computing kpt #: 108 total cpu time spent up to now is 47.1 secs Computing kpt #: 109 total cpu time spent up to now is 47.5 secs Computing kpt #: 110 total cpu time spent up to now is 47.9 secs Computing kpt #: 111 total cpu time spent up to now is 48.3 secs Computing kpt #: 112 total cpu time spent up to now is 48.7 secs Computing kpt #: 113 total cpu time spent up to now is 49.1 secs Computing kpt #: 114 total cpu time spent up to now is 49.5 secs Computing kpt #: 115 total cpu time spent up to now is 49.9 secs Computing kpt #: 116 total cpu time spent up to now is 50.4 secs Computing kpt #: 117 total cpu time spent up to now is 50.8 secs Computing kpt #: 118 total cpu time spent up to now is 51.2 secs Computing kpt #: 119 total cpu time spent up to now is 51.6 secs Computing kpt #: 120 total cpu time spent up to now is 52.1 secs Computing kpt #: 121 total cpu time spent up to now is 52.5 secs Computing kpt #: 122 total cpu time spent up to now is 52.9 secs Computing kpt #: 123 total cpu time spent up to now is 53.3 secs Computing kpt #: 124 total cpu time spent up to now is 53.7 secs Computing kpt #: 125 total cpu time spent up to now is 54.1 secs Computing kpt #: 126 total cpu time spent up to now is 54.4 secs Computing kpt #: 127 total cpu time spent up to now is 54.8 secs Computing kpt #: 128 total cpu time spent up to now is 55.2 secs Computing kpt #: 129 total cpu time spent up to now is 55.6 secs Computing kpt #: 130 total cpu time spent up to now is 56.0 secs Computing kpt #: 131 total cpu time spent up to now is 56.4 secs Computing kpt #: 132 total cpu time spent up to now is 56.8 secs Computing kpt #: 133 total cpu time spent up to now is 57.2 secs Computing kpt #: 134 total cpu time spent up to now is 57.7 secs Computing kpt #: 135 total cpu time spent up to now is 58.2 secs Computing kpt #: 136 total cpu time spent up to now is 58.7 secs Computing kpt #: 137 total cpu time spent up to now is 59.2 secs Computing kpt #: 138 total cpu time spent up to now is 59.7 secs Computing kpt #: 139 total cpu time spent up to now is 60.2 secs Computing kpt #: 140 total cpu time spent up to now is 60.7 secs Computing kpt #: 141 total cpu time spent up to now is 61.1 secs Computing kpt #: 142 total cpu time spent up to now is 61.6 secs Computing kpt #: 143 total cpu time spent up to now is 62.0 secs Computing kpt #: 144 total cpu time spent up to now is 62.5 secs Computing kpt #: 145 total cpu time spent up to now is 62.9 secs Computing kpt #: 146 total cpu time spent up to now is 63.4 secs Computing kpt #: 147 total cpu time spent up to now is 63.8 secs Computing kpt #: 148 total cpu time spent up to now is 64.3 secs Computing kpt #: 149 total cpu time spent up to now is 64.8 secs Computing kpt #: 150 total cpu time spent up to now is 65.2 secs Computing kpt #: 151 total cpu time spent up to now is 65.7 secs Computing kpt #: 152 total cpu time spent up to now is 66.1 secs Computing kpt #: 153 total cpu time spent up to now is 66.5 secs Computing kpt #: 154 total cpu time spent up to now is 66.9 secs Computing kpt #: 155 total cpu time spent up to now is 67.3 secs Computing kpt #: 156 total cpu time spent up to now is 67.7 secs Computing kpt #: 157 total cpu time spent up to now is 68.1 secs Computing kpt #: 158 total cpu time spent up to now is 68.5 secs Computing kpt #: 159 total cpu time spent up to now is 69.0 secs Computing kpt #: 160 total cpu time spent up to now is 69.4 secs Computing kpt #: 161 total cpu time spent up to now is 69.9 secs Computing kpt #: 162 total cpu time spent up to now is 70.3 secs Computing kpt #: 163 total cpu time spent up to now is 70.7 secs Computing kpt #: 164 total cpu time spent up to now is 71.2 secs Computing kpt #: 165 total cpu time spent up to now is 71.6 secs Computing kpt #: 166 total cpu time spent up to now is 72.1 secs Computing kpt #: 167 total cpu time spent up to now is 72.5 secs Computing kpt #: 168 total cpu time spent up to now is 73.0 secs Computing kpt #: 169 total cpu time spent up to now is 73.4 secs Computing kpt #: 170 total cpu time spent up to now is 73.8 secs Computing kpt #: 171 total cpu time spent up to now is 74.2 secs Computing kpt #: 172 total cpu time spent up to now is 74.6 secs Computing kpt #: 173 total cpu time spent up to now is 75.0 secs Computing kpt #: 174 total cpu time spent up to now is 75.4 secs Computing kpt #: 175 total cpu time spent up to now is 75.8 secs Computing kpt #: 176 total cpu time spent up to now is 76.2 secs Computing kpt #: 177 total cpu time spent up to now is 76.6 secs Computing kpt #: 178 total cpu time spent up to now is 77.0 secs Computing kpt #: 179 total cpu time spent up to now is 77.4 secs Computing kpt #: 180 total cpu time spent up to now is 77.8 secs Computing kpt #: 181 total cpu time spent up to now is 78.2 secs Computing kpt #: 182 total cpu time spent up to now is 78.5 secs Computing kpt #: 183 total cpu time spent up to now is 78.9 secs Computing kpt #: 184 total cpu time spent up to now is 79.3 secs Computing kpt #: 185 total cpu time spent up to now is 79.7 secs Computing kpt #: 186 total cpu time spent up to now is 80.0 secs Computing kpt #: 187 total cpu time spent up to now is 80.4 secs Computing kpt #: 188 total cpu time spent up to now is 80.8 secs Computing kpt #: 189 total cpu time spent up to now is 81.1 secs Computing kpt #: 190 total cpu time spent up to now is 81.5 secs Computing kpt #: 191 total cpu time spent up to now is 81.9 secs Computing kpt #: 192 total cpu time spent up to now is 82.2 secs Computing kpt #: 193 total cpu time spent up to now is 82.6 secs Computing kpt #: 194 total cpu time spent up to now is 83.0 secs Computing kpt #: 195 total cpu time spent up to now is 83.3 secs Computing kpt #: 196 total cpu time spent up to now is 83.7 secs Computing kpt #: 197 total cpu time spent up to now is 84.1 secs Computing kpt #: 198 total cpu time spent up to now is 84.4 secs Computing kpt #: 199 total cpu time spent up to now is 84.8 secs Computing kpt #: 200 total cpu time spent up to now is 85.2 secs Computing kpt #: 201 total cpu time spent up to now is 85.5 secs Computing kpt #: 202 total cpu time spent up to now is 85.9 secs Computing kpt #: 203 total cpu time spent up to now is 86.3 secs Computing kpt #: 204 total cpu time spent up to now is 86.6 secs Computing kpt #: 205 total cpu time spent up to now is 87.0 secs Computing kpt #: 206 total cpu time spent up to now is 87.4 secs Computing kpt #: 207 total cpu time spent up to now is 87.7 secs Computing kpt #: 208 total cpu time spent up to now is 88.1 secs Computing kpt #: 209 total cpu time spent up to now is 88.5 secs Computing kpt #: 210 total cpu time spent up to now is 88.9 secs Computing kpt #: 211 total cpu time spent up to now is 89.2 secs Computing kpt #: 212 total cpu time spent up to now is 89.6 secs Computing kpt #: 213 total cpu time spent up to now is 90.0 secs Computing kpt #: 214 total cpu time spent up to now is 90.3 secs Computing kpt #: 215 total cpu time spent up to now is 90.7 secs Computing kpt #: 216 total cpu time spent up to now is 91.1 secs Computing kpt #: 217 total cpu time spent up to now is 91.5 secs Computing kpt #: 218 total cpu time spent up to now is 91.8 secs Computing kpt #: 219 total cpu time spent up to now is 92.2 secs Computing kpt #: 220 total cpu time spent up to now is 92.6 secs Computing kpt #: 221 total cpu time spent up to now is 92.9 secs Computing kpt #: 222 total cpu time spent up to now is 93.3 secs Computing kpt #: 223 total cpu time spent up to now is 93.7 secs Computing kpt #: 224 total cpu time spent up to now is 94.1 secs Computing kpt #: 225 total cpu time spent up to now is 94.5 secs Computing kpt #: 226 total cpu time spent up to now is 94.9 secs Computing kpt #: 227 total cpu time spent up to now is 95.3 secs Computing kpt #: 228 total cpu time spent up to now is 95.8 secs Computing kpt #: 229 total cpu time spent up to now is 96.2 secs Computing kpt #: 230 total cpu time spent up to now is 96.6 secs Computing kpt #: 231 total cpu time spent up to now is 97.0 secs Computing kpt #: 232 total cpu time spent up to now is 97.5 secs Computing kpt #: 233 total cpu time spent up to now is 97.9 secs Computing kpt #: 234 total cpu time spent up to now is 98.3 secs Computing kpt #: 235 total cpu time spent up to now is 98.7 secs Computing kpt #: 236 total cpu time spent up to now is 99.1 secs Computing kpt #: 237 total cpu time spent up to now is 99.5 secs Computing kpt #: 238 total cpu time spent up to now is 99.9 secs Computing kpt #: 239 total cpu time spent up to now is 100.3 secs Computing kpt #: 240 total cpu time spent up to now is 100.7 secs Computing kpt #: 241 total cpu time spent up to now is 101.1 secs Computing kpt #: 242 total cpu time spent up to now is 101.5 secs Computing kpt #: 243 total cpu time spent up to now is 101.9 secs Computing kpt #: 244 total cpu time spent up to now is 102.3 secs Computing kpt #: 245 total cpu time spent up to now is 102.7 secs Computing kpt #: 246 total cpu time spent up to now is 103.1 secs Computing kpt #: 247 total cpu time spent up to now is 103.5 secs Computing kpt #: 248 total cpu time spent up to now is 103.9 secs Computing kpt #: 249 total cpu time spent up to now is 104.3 secs Computing kpt #: 250 total cpu time spent up to now is 104.7 secs Computing kpt #: 251 total cpu time spent up to now is 105.1 secs Computing kpt #: 252 total cpu time spent up to now is 105.5 secs Computing kpt #: 253 total cpu time spent up to now is 105.9 secs Computing kpt #: 254 total cpu time spent up to now is 106.3 secs Computing kpt #: 255 total cpu time spent up to now is 106.7 secs Computing kpt #: 256 total cpu time spent up to now is 107.1 secs Computing kpt #: 257 total cpu time spent up to now is 107.6 secs Computing kpt #: 258 total cpu time spent up to now is 108.0 secs Computing kpt #: 259 total cpu time spent up to now is 108.4 secs Computing kpt #: 260 total cpu time spent up to now is 108.8 secs Computing kpt #: 261 total cpu time spent up to now is 109.2 secs Computing kpt #: 262 total cpu time spent up to now is 109.6 secs Computing kpt #: 263 total cpu time spent up to now is 110.1 secs Computing kpt #: 264 total cpu time spent up to now is 110.5 secs Computing kpt #: 265 total cpu time spent up to now is 110.9 secs Computing kpt #: 266 total cpu time spent up to now is 111.3 secs Computing kpt #: 267 total cpu time spent up to now is 111.8 secs Computing kpt #: 268 total cpu time spent up to now is 112.2 secs Computing kpt #: 269 total cpu time spent up to now is 112.7 secs Computing kpt #: 270 total cpu time spent up to now is 113.1 secs Computing kpt #: 271 total cpu time spent up to now is 113.6 secs Computing kpt #: 272 total cpu time spent up to now is 114.0 secs Computing kpt #: 273 total cpu time spent up to now is 114.5 secs Computing kpt #: 274 total cpu time spent up to now is 114.9 secs Computing kpt #: 275 total cpu time spent up to now is 115.4 secs Computing kpt #: 276 total cpu time spent up to now is 115.8 secs Computing kpt #: 277 total cpu time spent up to now is 116.3 secs Computing kpt #: 278 total cpu time spent up to now is 116.7 secs Computing kpt #: 279 total cpu time spent up to now is 117.2 secs Computing kpt #: 280 total cpu time spent up to now is 117.6 secs Computing kpt #: 281 total cpu time spent up to now is 118.0 secs Computing kpt #: 282 total cpu time spent up to now is 118.4 secs Computing kpt #: 283 total cpu time spent up to now is 118.8 secs Computing kpt #: 284 total cpu time spent up to now is 119.2 secs Computing kpt #: 285 total cpu time spent up to now is 119.5 secs Computing kpt #: 286 total cpu time spent up to now is 119.9 secs Computing kpt #: 287 total cpu time spent up to now is 120.3 secs Computing kpt #: 288 total cpu time spent up to now is 120.6 secs Computing kpt #: 289 total cpu time spent up to now is 121.0 secs Computing kpt #: 290 total cpu time spent up to now is 121.4 secs Computing kpt #: 291 total cpu time spent up to now is 121.7 secs Computing kpt #: 292 total cpu time spent up to now is 122.1 secs Computing kpt #: 293 total cpu time spent up to now is 122.5 secs Computing kpt #: 294 total cpu time spent up to now is 122.8 secs Computing kpt #: 295 total cpu time spent up to now is 123.2 secs Computing kpt #: 296 total cpu time spent up to now is 123.6 secs Computing kpt #: 297 total cpu time spent up to now is 123.9 secs Computing kpt #: 298 total cpu time spent up to now is 124.3 secs Computing kpt #: 299 total cpu time spent up to now is 124.6 secs Computing kpt #: 300 total cpu time spent up to now is 125.0 secs Computing kpt #: 301 total cpu time spent up to now is 125.4 secs Computing kpt #: 302 total cpu time spent up to now is 125.7 secs Computing kpt #: 303 total cpu time spent up to now is 126.1 secs Computing kpt #: 304 total cpu time spent up to now is 126.5 secs Computing kpt #: 305 total cpu time spent up to now is 126.9 secs Computing kpt #: 306 total cpu time spent up to now is 127.3 secs Computing kpt #: 307 total cpu time spent up to now is 127.6 secs Computing kpt #: 308 total cpu time spent up to now is 128.0 secs Computing kpt #: 309 total cpu time spent up to now is 128.4 secs Computing kpt #: 310 total cpu time spent up to now is 128.8 secs Computing kpt #: 311 total cpu time spent up to now is 129.2 secs Computing kpt #: 312 total cpu time spent up to now is 129.6 secs Computing kpt #: 313 total cpu time spent up to now is 130.0 secs Computing kpt #: 314 total cpu time spent up to now is 130.4 secs Computing kpt #: 315 total cpu time spent up to now is 130.8 secs Computing kpt #: 316 total cpu time spent up to now is 131.1 secs Computing kpt #: 317 total cpu time spent up to now is 131.5 secs Computing kpt #: 318 total cpu time spent up to now is 131.9 secs Computing kpt #: 319 total cpu time spent up to now is 132.3 secs Computing kpt #: 320 total cpu time spent up to now is 132.6 secs Computing kpt #: 321 total cpu time spent up to now is 133.0 secs Computing kpt #: 322 total cpu time spent up to now is 133.4 secs Computing kpt #: 323 total cpu time spent up to now is 133.8 secs Computing kpt #: 324 total cpu time spent up to now is 134.1 secs Computing kpt #: 325 total cpu time spent up to now is 134.5 secs Computing kpt #: 326 total cpu time spent up to now is 134.9 secs Computing kpt #: 327 total cpu time spent up to now is 135.3 secs Computing kpt #: 328 total cpu time spent up to now is 135.7 secs Computing kpt #: 329 total cpu time spent up to now is 136.1 secs Computing kpt #: 330 total cpu time spent up to now is 136.5 secs Computing kpt #: 331 total cpu time spent up to now is 136.9 secs Computing kpt #: 332 total cpu time spent up to now is 137.4 secs Computing kpt #: 333 total cpu time spent up to now is 137.9 secs Computing kpt #: 334 total cpu time spent up to now is 138.4 secs Computing kpt #: 335 total cpu time spent up to now is 139.0 secs Computing kpt #: 336 total cpu time spent up to now is 139.4 secs Computing kpt #: 337 total cpu time spent up to now is 139.9 secs Computing kpt #: 338 total cpu time spent up to now is 140.3 secs Computing kpt #: 339 total cpu time spent up to now is 140.8 secs Computing kpt #: 340 total cpu time spent up to now is 141.2 secs Computing kpt #: 341 total cpu time spent up to now is 141.6 secs Computing kpt #: 342 total cpu time spent up to now is 142.1 secs ethr = 2.17E-08, avg # of iterations = 14.9 total cpu time spent up to now is 142.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2398 -36.2398 -36.2188 -36.2188 -36.1450 -36.1450 0.8947 0.8947 4.2984 4.2984 6.8303 6.8303 7.7255 7.7255 7.7859 7.7859 8.2305 8.2305 9.0644 9.0644 9.1423 9.1423 9.5207 9.5207 9.7949 9.7949 10.6212 10.6212 10.7990 10.7990 12.9775 12.9775 13.2532 13.2532 13.9672 13.9672 15.8021 15.8021 16.1426 16.1426 16.2130 16.2130 16.3816 16.3816 18.7400 18.7400 k = 0.0111 0.0064-0.0000 ( 4089 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2398 -36.2398 -36.2188 -36.2188 -36.1450 -36.1450 0.8961 0.8961 4.2974 4.2974 6.8320 6.8320 7.7266 7.7266 7.7871 7.7871 8.2304 8.2304 9.0637 9.0637 9.1416 9.1416 9.5203 9.5203 9.7945 9.7945 10.6210 10.6210 10.7987 10.7987 12.9768 12.9768 13.2476 13.2476 13.9584 13.9584 15.8015 15.8015 16.0785 16.0785 16.2367 16.2367 16.4267 16.4267 18.7494 18.7494 k = 0.0222 0.0128-0.0000 ( 4099 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2188 -36.2188 -36.1450 -36.1450 0.9004 0.9004 4.2944 4.2944 6.8371 6.8371 7.7299 7.7299 7.7906 7.7906 8.2299 8.2299 9.0618 9.0618 9.1396 9.1396 9.5189 9.5189 9.7932 9.7932 10.6206 10.6206 10.7982 10.7982 12.9747 12.9747 13.2308 13.2308 13.9327 13.9327 15.7992 15.7992 15.9778 15.9778 16.2512 16.2512 16.5272 16.5272 18.7775 18.7775 k = 0.0333 0.0192-0.0000 ( 4103 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9076 0.9076 4.2895 4.2895 6.8456 6.8456 7.7351 7.7351 7.7969 7.7969 8.2292 8.2292 9.0584 9.0584 9.1364 9.1364 9.5165 9.5165 9.7912 9.7912 10.6201 10.6201 10.7974 10.7974 12.9711 12.9711 13.2023 13.2023 13.8916 13.8916 15.7904 15.7904 15.8799 15.8799 16.2592 16.2592 16.6449 16.6449 18.8229 18.8229 k = 0.0444 0.0257-0.0000 ( 4111 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9177 0.9177 4.2827 4.2827 6.8576 6.8576 7.7417 7.7417 7.8062 7.8062 8.2282 8.2282 9.0536 9.0536 9.1321 9.1321 9.5129 9.5129 9.7888 9.7888 10.6194 10.6194 10.7963 10.7963 12.9662 12.9662 13.1617 13.1617 13.8374 13.8374 15.7415 15.7415 15.8236 15.8236 16.2665 16.2665 16.7664 16.7664 18.8809 18.8809 k = 0.0556 0.0321-0.0000 ( 4111 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9306 0.9306 4.2741 4.2741 6.8729 6.8729 7.7491 7.7491 7.8191 7.8191 8.2269 8.2269 9.0472 9.0472 9.1269 9.1269 9.5082 9.5082 9.7860 9.7860 10.6185 10.6185 10.7949 10.7949 12.9597 12.9597 13.1083 13.1083 13.7730 13.7730 15.6499 15.6499 15.8130 15.8130 16.2748 16.2748 16.8866 16.8866 18.9351 18.9351 k = 0.0667 0.0385-0.0000 ( 4117 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2400 -36.2400 -36.2189 -36.2189 -36.1450 -36.1450 0.9464 0.9464 4.2637 4.2637 6.8916 6.8916 7.7568 7.7568 7.8359 7.8359 8.2252 8.2252 9.0389 9.0389 9.1211 9.1211 9.5020 9.5020 9.7833 9.7833 10.6173 10.6173 10.7932 10.7932 12.9516 12.9516 13.0418 13.0418 13.7017 13.7017 15.5536 15.5536 15.8100 15.8100 16.2846 16.2846 17.0021 17.0021 18.9604 18.9604 k = 0.0778 0.0449-0.0000 ( 4129 PWs) bands (ev): -71.8522 -71.8522 -71.8367 -71.8367 -40.7037 -40.7037 -40.6625 -40.6625 -36.2794 -36.2794 -36.2400 -36.2400 -36.2190 -36.2190 -36.1450 -36.1450 0.9650 0.9650 4.2515 4.2515 6.9136 6.9136 7.7646 7.7646 7.8566 7.8566 8.2231 8.2231 9.0286 9.0286 9.1150 9.1150 9.4941 9.4941 9.7807 9.7807 10.6159 10.6159 10.7914 10.7914 12.9400 12.9400 12.9638 12.9638 13.6261 13.6261 15.4582 15.4582 15.8087 15.8087 16.2959 16.2959 17.1105 17.1105 18.9666 18.9666 k = 0.0889 0.0513-0.0000 ( 4131 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2401 -36.2401 -36.2190 -36.2190 -36.1450 -36.1450 0.9864 0.9864 4.2378 4.2378 6.9389 6.9389 7.7726 7.7726 7.8810 7.8810 8.2206 8.2206 9.0161 9.0161 9.1089 9.1089 9.4845 9.4845 9.7787 9.7787 10.6143 10.6143 10.7893 10.7893 12.8672 12.8672 12.9327 12.9327 13.5484 13.5484 15.3639 15.3639 15.8079 15.8079 16.3089 16.3089 17.2095 17.2095 18.9701 18.9701 k = 0.1000 0.0577-0.0000 ( 4135 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2402 -36.2402 -36.2191 -36.2191 -36.1451 -36.1451 1.0106 1.0106 4.2225 4.2225 6.9675 6.9675 7.7807 7.7807 7.9090 7.9090 8.2175 8.2175 9.0014 9.0014 9.1031 9.1031 9.4730 9.4730 9.7776 9.7776 10.6126 10.6126 10.7871 10.7871 12.7631 12.7631 12.9194 12.9194 13.4700 13.4700 15.2704 15.2704 15.8072 15.8072 16.3236 16.3236 17.2974 17.2974 18.9781 18.9781 k = 0.1111 0.0642-0.0000 ( 4143 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2402 -36.2402 -36.2191 -36.2191 -36.1451 -36.1451 1.0375 1.0375 4.2059 4.2059 6.9993 6.9993 7.7888 7.7888 7.9402 7.9402 8.2138 8.2138 8.9842 8.9842 9.0978 9.0978 9.4594 9.4594 9.7774 9.7774 10.6107 10.6107 10.7848 10.7848 12.6489 12.6489 12.9046 12.9046 13.3914 13.3914 15.1773 15.1773 15.8064 15.8064 16.3397 16.3397 17.3725 17.3725 18.9947 18.9947 k = 0.1222 0.0706-0.0000 ( 4141 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2403 -36.2403 -36.2192 -36.2192 -36.1451 -36.1451 1.0672 1.0672 4.1879 4.1879 7.0343 7.0343 7.7972 7.7972 7.9742 7.9742 8.2095 8.2095 8.9648 8.9648 9.0931 9.0931 9.4441 9.4441 9.7786 9.7786 10.6085 10.6085 10.7824 10.7824 12.5270 12.5270 12.8879 12.8879 13.3129 13.3129 15.0840 15.0840 15.8051 15.8051 16.3571 16.3571 17.4340 17.4340 19.0228 19.0228 k = 0.1333 0.0770-0.0000 ( 4137 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2404 -36.2404 -36.2192 -36.2192 -36.1451 -36.1451 1.0997 1.0997 4.1687 4.1687 7.0724 7.0724 7.8057 7.8057 8.0108 8.0108 8.2042 8.2042 8.9433 8.9433 9.0892 9.0892 9.4268 9.4268 9.7811 9.7811 10.6061 10.6061 10.7799 10.7799 12.3996 12.3996 12.8690 12.8690 13.2343 13.2343 14.9902 14.9902 15.8027 15.8027 16.3758 16.3758 17.4816 17.4816 19.0639 19.0639 k = 0.1444 0.0834-0.0000 ( 4136 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2405 -36.2405 -36.2193 -36.2193 -36.1451 -36.1451 1.1348 1.1348 4.1484 4.1484 7.1135 7.1135 7.8143 7.8143 8.0493 8.0493 8.1980 8.1980 8.9200 8.9200 9.0863 9.0863 9.4078 9.4078 9.7848 9.7848 10.6036 10.6036 10.7774 10.7774 12.2688 12.2688 12.8473 12.8473 13.1557 13.1557 14.8957 14.8957 15.7988 15.7988 16.3954 16.3954 17.5156 17.5156 19.1182 19.1182 k = 0.1556 0.0898-0.0000 ( 4136 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6626 -40.6626 -36.2794 -36.2794 -36.2406 -36.2406 -36.2193 -36.2193 -36.1451 -36.1451 1.1725 1.1725 4.1271 4.1271 7.1576 7.1576 7.8229 7.8229 8.0890 8.0890 8.1909 8.1909 8.8952 8.8952 9.0844 9.0844 9.3874 9.3874 9.7898 9.7898 10.6009 10.6009 10.7749 10.7749 12.1366 12.1366 12.8223 12.8223 13.0773 13.0773 14.8002 14.8002 15.7927 15.7927 16.4159 16.4159 17.5374 17.5374 19.1848 19.1848 k = 0.1667 0.0962-0.0000 ( 4146 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6627 -40.6627 -36.2794 -36.2794 -36.2407 -36.2407 -36.2194 -36.2194 -36.1451 -36.1451 1.2128 1.2128 4.1049 4.1049 7.2045 7.2045 7.8314 7.8314 8.1278 8.1278 8.1844 8.1844 8.8695 8.8695 9.0836 9.0836 9.3657 9.3657 9.7960 9.7960 10.5977 10.5977 10.7723 10.7723 12.0044 12.0044 12.7929 12.7929 13.0001 13.0001 14.7039 14.7039 15.7837 15.7837 16.4372 16.4372 17.5487 17.5487 19.2609 19.2609 k = 0.1778 0.1026-0.0000 ( 4156 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6627 -40.6627 -36.2794 -36.2794 -36.2408 -36.2408 -36.2195 -36.2195 -36.1452 -36.1452 1.2557 1.2557 4.0819 4.0819 7.2542 7.2542 7.8399 7.8399 8.1517 8.1517 8.1911 8.1911 8.8436 8.8436 9.0841 9.0841 9.3431 9.3431 9.8032 9.8032 10.5943 10.5943 10.7697 10.7697 11.8738 11.8738 12.7569 12.7569 12.9257 12.9257 14.6065 14.6065 15.7710 15.7710 16.4592 16.4592 17.5514 17.5514 19.3414 19.3414 k = 0.1889 0.1091-0.0000 ( 4156 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6628 -40.6628 -36.2794 -36.2794 -36.2409 -36.2409 -36.2195 -36.2195 -36.1452 -36.1452 1.3010 1.3010 4.0581 4.0581 7.3065 7.3065 7.8481 7.8481 8.1454 8.1454 8.2252 8.2252 8.8188 8.8188 9.0861 9.0861 9.3201 9.3201 9.8116 9.8116 10.5907 10.5907 10.7672 10.7672 11.7461 11.7461 12.7112 12.7112 12.8574 12.8574 14.5082 14.5082 15.7540 15.7540 16.4820 16.4820 17.5476 17.5476 19.4150 19.4150 k = 0.2000 0.1155-0.0000 ( 4144 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6628 -40.6628 -36.2794 -36.2794 -36.2410 -36.2410 -36.2196 -36.2196 -36.1452 -36.1452 1.3488 1.3488 4.0338 4.0338 7.3613 7.3613 7.8560 7.8560 8.1290 8.1290 8.2649 8.2649 8.7965 8.7965 9.0897 9.0897 9.2970 9.2970 9.8208 9.8208 10.5869 10.5869 10.7648 10.7648 11.6222 11.6222 12.6528 12.6528 12.7981 12.7981 14.4092 14.4092 15.7319 15.7319 16.5057 16.5057 17.5391 17.5391 19.4535 19.4535 k = 0.2111 0.1219-0.0000 ( 4154 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7040 -40.7040 -40.6628 -40.6628 -36.2794 -36.2794 -36.2411 -36.2411 -36.2197 -36.2197 -36.1452 -36.1452 1.3989 1.3989 4.0088 4.0088 7.4183 7.4183 7.8634 7.8634 8.1072 8.1072 8.3028 8.3028 8.7788 8.7788 9.0949 9.0949 9.2741 9.2741 9.8308 9.8308 10.5826 10.5826 10.7623 10.7623 11.5031 11.5031 12.5822 12.5822 12.7470 12.7470 14.3094 14.3094 15.7042 15.7042 16.5301 16.5301 17.5273 17.5273 19.4300 19.4300 k = 0.2222 0.1283-0.0000 ( 4156 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7040 -40.7040 -40.6629 -40.6629 -36.2794 -36.2794 -36.2412 -36.2412 -36.2197 -36.2197 -36.1452 -36.1452 1.4513 1.4513 3.9834 3.9834 7.4772 7.4772 7.8703 7.8703 8.0801 8.0801 8.3364 8.3364 8.7683 8.7683 9.1020 9.1020 9.2518 9.2518 9.8414 9.8414 10.5779 10.5779 10.7599 10.7599 11.3895 11.3895 12.5034 12.5034 12.7002 12.7002 14.2092 14.2092 15.6707 15.6707 16.5555 16.5555 17.5137 17.5137 19.3765 19.3765 k = 0.2333 0.1347-0.0000 ( 4152 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7040 -40.7040 -40.6629 -40.6629 -36.2794 -36.2794 -36.2413 -36.2413 -36.2198 -36.2198 -36.1453 -36.1453 1.5060 1.5060 3.9575 3.9575 7.5377 7.5377 7.8767 7.8767 8.0472 8.0472 8.3633 8.3633 8.7680 8.7680 9.1109 9.1109 9.2308 9.2308 9.8527 9.8527 10.5727 10.5727 10.7575 10.7575 11.2822 11.2822 12.4198 12.4198 12.6543 12.6543 14.1086 14.1086 15.6314 15.6314 16.5819 16.5819 17.4991 17.4991 19.3209 19.3209 k = 0.2444 0.1411-0.0000 ( 4148 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6630 -40.6630 -36.2794 -36.2794 -36.2414 -36.2414 -36.2199 -36.2199 -36.1453 -36.1453 1.5627 1.5627 3.9312 3.9312 7.5992 7.5992 7.8824 7.8824 8.0081 8.0081 8.3818 8.3818 8.7798 8.7798 9.1214 9.1214 9.2118 9.2118 9.8646 9.8646 10.5668 10.5668 10.7551 10.7551 11.1818 11.1818 12.3334 12.3334 12.6071 12.6071 14.0080 14.0080 15.5865 15.5865 16.6091 16.6091 17.4843 17.4843 19.2710 19.2710 k = 0.2556 0.1475-0.0000 ( 4146 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6630 -40.6630 -36.2794 -36.2794 -36.2416 -36.2416 -36.2200 -36.2200 -36.1453 -36.1453 1.6215 1.6215 3.9046 3.9046 7.6607 7.6607 7.8875 7.8875 7.9633 7.9633 8.3921 8.3921 8.8041 8.8041 9.1328 9.1328 9.1961 9.1961 9.8766 9.8766 10.5600 10.5600 10.7525 10.7525 11.0888 11.0888 12.2454 12.2454 12.5575 12.5575 13.9076 13.9076 15.5365 15.5365 16.6371 16.6371 17.4701 17.4701 19.2283 19.2283 k = 0.2667 0.1540-0.0000 ( 4144 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6630 -40.6630 -36.2794 -36.2794 -36.2417 -36.2417 -36.2200 -36.2200 -36.1453 -36.1453 1.6823 1.6823 3.8775 3.8775 7.7196 7.7196 7.8920 7.8920 7.9148 7.9148 8.3957 8.3957 8.8395 8.8395 9.1425 9.1425 9.1869 9.1869 9.8889 9.8889 10.5521 10.5521 10.7497 10.7497 11.0040 11.0040 12.1566 12.1566 12.5046 12.5046 13.8075 13.8075 15.4822 15.4822 16.6659 16.6659 17.4567 17.4567 19.1914 19.1914 k = 0.2778 0.1604-0.0000 ( 4138 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6631 -40.6631 -36.2794 -36.2794 -36.2418 -36.2418 -36.2201 -36.2201 -36.1453 -36.1453 1.7448 1.7448 3.8501 3.8501 7.7632 7.7632 7.8746 7.8746 7.8964 7.8964 8.3948 8.3948 8.8834 8.8834 9.1451 9.1451 9.1904 9.1904 9.9014 9.9014 10.5425 10.5425 10.7462 10.7462 10.9282 10.9282 12.0675 12.0675 12.4479 12.4479 13.7082 13.7082 15.4244 15.4244 16.6951 16.6951 17.4446 17.4446 19.1562 19.1562 k = 0.2889 0.1668-0.0000 ( 4136 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6631 -40.6631 -36.2794 -36.2794 -36.2419 -36.2419 -36.2202 -36.2202 -36.1453 -36.1453 1.8091 1.8091 3.8224 3.8224 7.7481 7.7481 7.8824 7.8824 7.9043 7.9043 8.3916 8.3916 8.9336 8.9336 9.1420 9.1420 9.2059 9.2059 9.9139 9.9139 10.5304 10.5304 10.7409 10.7409 10.8629 10.8629 11.9783 11.9783 12.3873 12.3873 13.6097 13.6097 15.3642 15.3642 16.7247 16.7247 17.4341 17.4341 19.1135 19.1135 k = 0.3000 0.1732-0.0000 ( 4136 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6631 -40.6631 -36.2794 -36.2794 -36.2420 -36.2420 -36.2202 -36.2202 -36.1454 -36.1454 1.8749 1.8749 3.7942 3.7942 7.6884 7.6884 7.8960 7.8960 7.9441 7.9441 8.3872 8.3872 8.9879 8.9879 9.1399 9.1399 9.2275 9.2275 9.9264 9.9264 10.5152 10.5152 10.7313 10.7313 10.8118 10.8118 11.8894 11.8894 12.3223 12.3223 13.5125 13.5125 15.3025 15.3025 16.7544 16.7544 17.4252 17.4252 19.0533 19.0533 k = 0.3111 0.1796-0.0000 ( 4136 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6632 -40.6632 -36.2794 -36.2794 -36.2421 -36.2421 -36.2203 -36.2203 -36.1454 -36.1454 1.9421 1.9421 3.7656 3.7656 7.6166 7.6166 7.8986 7.8986 8.0003 8.0003 8.3825 8.3825 9.0446 9.0446 9.1424 9.1424 9.2529 9.2529 9.9389 9.9389 10.4959 10.4959 10.7123 10.7123 10.7802 10.7802 11.8011 11.8011 12.2529 12.2529 13.4169 13.4169 15.2405 15.2405 16.7839 16.7839 17.4183 17.4183 18.9780 18.9780 k = 0.3222 0.1860-0.0000 ( 4128 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6632 -40.6632 -36.2794 -36.2794 -36.2422 -36.2422 -36.2204 -36.2204 -36.1454 -36.1454 2.0105 2.0105 3.7365 3.7365 7.5397 7.5397 7.8996 7.8996 8.0565 8.0565 8.3781 8.3781 9.1011 9.1011 9.1528 9.1528 9.2815 9.2815 9.9511 9.9511 10.4721 10.4721 10.6862 10.6862 10.7661 10.7661 11.7137 11.7137 12.1789 12.1789 13.3230 13.3230 15.1790 15.1790 16.8131 16.8131 17.4133 17.4133 18.8964 18.8964 k = 0.3333 0.1925-0.0000 ( 4128 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2423 -36.2423 -36.2204 -36.2204 -36.1454 -36.1454 2.0800 2.0800 3.7068 3.7068 7.4600 7.4600 7.8997 7.8997 8.1098 8.1098 8.3740 8.3740 9.1466 9.1466 9.1820 9.1820 9.3130 9.3130 9.9631 9.9631 10.4441 10.4441 10.6619 10.6619 10.7598 10.7598 11.6273 11.6273 12.1005 12.1005 13.2314 13.2314 15.1190 15.1190 16.8417 16.8417 17.4104 17.4104 18.8133 18.8133 k = 0.3444 0.1989-0.0000 ( 4132 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2424 -36.2424 -36.2205 -36.2205 -36.1454 -36.1454 2.1504 2.1504 3.6765 3.6765 7.3791 7.3791 7.8992 7.8992 8.1585 8.1585 8.3706 8.3706 9.1761 9.1761 9.2349 9.2349 9.3476 9.3476 9.9747 9.9747 10.4133 10.4133 10.6427 10.6427 10.7564 10.7564 11.5422 11.5422 12.0176 12.0176 13.1422 13.1422 15.0611 15.0611 16.8695 16.8695 17.4095 17.4095 18.7311 18.7311 k = 0.3556 0.2053-0.0000 ( 4136 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2425 -36.2425 -36.2206 -36.2206 -36.1454 -36.1454 2.2215 2.2215 3.6453 3.6453 7.2981 7.2981 7.8981 7.8981 8.2016 8.2016 8.3678 8.3678 9.2079 9.2079 9.2928 9.2928 9.3860 9.3860 9.9859 9.9859 10.3813 10.3813 10.6279 10.6279 10.7543 10.7543 11.4588 11.4588 11.9305 11.9305 13.0559 13.0559 15.0061 15.0061 16.8963 16.8963 17.4106 17.4106 18.6509 18.6509 k = 0.3667 0.2117-0.0000 ( 4132 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2426 -36.2426 -36.2206 -36.2206 -36.1455 -36.1455 2.2931 2.2931 3.6133 3.6133 7.2182 7.2182 7.8968 7.8968 8.2382 8.2382 8.3657 8.3657 9.2473 9.2473 9.3489 9.3489 9.4292 9.4292 9.9966 9.9966 10.3494 10.3494 10.6167 10.6167 10.7528 10.7528 11.3773 11.3773 11.8396 11.8396 12.9729 12.9729 14.9543 14.9543 16.9220 16.9220 17.4138 17.4138 18.5733 18.5733 k = 0.3778 0.2181-0.0000 ( 4126 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6634 -40.6634 -36.2794 -36.2794 -36.2427 -36.2427 -36.2207 -36.2207 -36.1455 -36.1455 2.3649 2.3649 3.5802 3.5802 7.1404 7.1404 7.8951 7.8951 8.2682 8.2682 8.3646 8.3646 9.2946 9.2946 9.4007 9.4007 9.4788 9.4788 10.0069 10.0069 10.3185 10.3185 10.6078 10.6078 10.7517 10.7517 11.2981 11.2981 11.7452 11.7452 12.8936 12.8936 14.9063 14.9063 16.9462 16.9462 17.4191 17.4191 18.4988 18.4988 k = 0.3889 0.2245-0.0000 ( 4128 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6634 -40.6634 -36.2794 -36.2794 -36.2428 -36.2428 -36.2207 -36.2207 -36.1455 -36.1455 2.4367 2.4367 3.5459 3.5459 7.0655 7.0655 7.8933 7.8933 8.2913 8.2913 8.3645 8.3645 9.3492 9.3492 9.4472 9.4472 9.5348 9.5348 10.0167 10.0167 10.2887 10.2887 10.6008 10.6008 10.7509 10.7509 11.2215 11.2215 11.6477 11.6477 12.8185 12.8185 14.8622 14.8622 16.9690 16.9690 17.4261 17.4261 18.4278 18.4278 k = 0.4000 0.2309-0.0000 ( 4122 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6634 -40.6634 -36.2794 -36.2794 -36.2428 -36.2428 -36.2208 -36.2208 -36.1455 -36.1455 2.5082 2.5082 3.5102 3.5102 6.9946 6.9946 7.8914 7.8914 8.3080 8.3080 8.3657 8.3657 9.4099 9.4099 9.4896 9.4896 9.5958 9.5958 10.0259 10.0259 10.2603 10.2603 10.5950 10.5950 10.7502 10.7502 11.1481 11.1481 11.5478 11.5478 12.7481 12.7481 14.8223 14.8223 16.9900 16.9900 17.4350 17.4350 18.3606 18.3606 k = 0.4111 0.2374-0.0000 ( 4124 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6634 -40.6634 -36.2794 -36.2794 -36.2429 -36.2429 -36.2208 -36.2208 -36.1455 -36.1455 2.5792 2.5792 3.4729 3.4729 6.9285 6.9285 7.8895 7.8895 8.3190 8.3190 8.3682 8.3682 9.4750 9.4750 9.5288 9.5288 9.6602 9.6602 10.0345 10.0345 10.2330 10.2330 10.5900 10.5900 10.7497 10.7497 11.0784 11.0784 11.4462 11.4462 12.6829 12.6829 14.7866 14.7866 17.0092 17.0092 17.4455 17.4455 18.2976 18.2976 k = 0.4222 0.2438-0.0000 ( 4120 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2429 -36.2429 -36.2208 -36.2208 -36.1455 -36.1455 2.6494 2.6494 3.4339 3.4339 6.8679 6.8679 7.8876 7.8876 8.3256 8.3256 8.3715 8.3715 9.5422 9.5422 9.5653 9.5653 9.7272 9.7272 10.0429 10.0429 10.2067 10.2067 10.5858 10.5858 10.7492 10.7492 11.0130 11.0130 11.3439 11.3439 12.6235 12.6235 14.7552 14.7552 17.0265 17.0265 17.4572 17.4572 18.2391 18.2391 k = 0.4333 0.2502-0.0000 ( 4128 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2430 -36.2430 -36.2209 -36.2209 -36.1455 -36.1455 2.7184 2.7184 3.3929 3.3929 6.8137 6.8137 7.8858 7.8858 8.3292 8.3292 8.3749 8.3749 9.5990 9.5990 9.6094 9.6094 9.7962 9.7962 10.0511 10.0511 10.1808 10.1808 10.5819 10.5819 10.7487 10.7487 10.9530 10.9530 11.2420 11.2420 12.5703 12.5703 14.7281 14.7281 17.0416 17.0416 17.4699 17.4699 18.1858 18.1858 k = 0.4444 0.2566-0.0000 ( 4128 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2430 -36.2430 -36.2209 -36.2209 -36.1455 -36.1455 2.7862 2.7862 3.3499 3.3499 6.7666 6.7666 7.8842 7.8842 8.3312 8.3312 8.3778 8.3778 9.6292 9.6292 9.6743 9.6743 9.8659 9.8659 10.0599 10.0599 10.1552 10.1552 10.5783 10.5783 10.7483 10.7483 10.8993 10.8993 11.1422 11.1422 12.5241 12.5241 14.7053 14.7053 17.0546 17.0546 17.4830 17.4830 18.1381 18.1381 k = 0.4556 0.2630-0.0000 ( 4124 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2209 -36.2209 -36.1455 -36.1455 2.8522 2.8522 3.3046 3.3046 6.7271 6.7271 7.8829 7.8829 8.3322 8.3322 8.3800 8.3800 9.6553 9.6553 9.7353 9.7353 9.9323 9.9323 10.0711 10.0711 10.1302 10.1302 10.5744 10.5744 10.7478 10.7478 10.8533 10.8533 11.0467 11.0467 12.4853 12.4853 14.6868 14.6868 17.0654 17.0654 17.4959 17.4959 18.0968 18.0968 k = 0.4667 0.2694-0.0000 ( 4124 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2209 -36.2209 -36.1455 -36.1455 2.9164 2.9164 3.2571 3.2571 6.6958 6.6958 7.8818 7.8818 8.3327 8.3327 8.3816 8.3816 9.6766 9.6766 9.7907 9.7907 9.9859 9.9859 10.0845 10.0845 10.1120 10.1120 10.5698 10.5698 10.7471 10.7471 10.8169 10.8169 10.9591 10.9591 12.4546 12.4546 14.6724 14.6724 17.0739 17.0739 17.5075 17.5075 18.0630 18.0630 k = 0.4778 0.2758-0.0000 ( 4124 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 2.9782 2.9782 3.2073 3.2073 6.6731 6.6731 7.8810 7.8810 8.3330 8.3330 8.3826 8.3826 9.6924 9.6924 9.8386 9.8386 10.0145 10.0145 10.0736 10.0736 10.1344 10.1344 10.5639 10.5639 10.7467 10.7467 10.7918 10.7918 10.8846 10.8846 12.4323 12.4323 14.6622 14.6622 17.0799 17.0799 17.5170 17.5170 18.0377 18.0377 k = 0.4889 0.2823-0.0000 ( 4124 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0368 3.0368 3.1561 3.1561 6.6594 6.6594 7.8805 7.8805 8.3331 8.3331 8.3831 8.3831 9.7021 9.7021 9.8746 9.8746 10.0198 10.0198 10.0596 10.0596 10.1686 10.1686 10.5576 10.5576 10.7477 10.7477 10.7790 10.7790 10.8305 10.8305 12.4187 12.4187 14.6561 14.6561 17.0836 17.0836 17.5233 17.5233 18.0219 18.0219 k = 0.5000 0.2887-0.0000 ( 4122 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0787 3.0787 3.1166 3.1166 6.6548 6.6548 7.8803 7.8803 8.3332 8.3332 8.3833 8.3833 9.7054 9.7054 9.8892 9.8892 10.0168 10.0168 10.0559 10.0559 10.1833 10.1833 10.5545 10.5545 10.7492 10.7492 10.7764 10.7764 10.8083 10.8083 12.4142 12.4142 14.6540 14.6540 17.0848 17.0848 17.5255 17.5255 18.0165 18.0165 k = 0.5000 0.2887-0.0000 ( 4122 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0787 3.0787 3.1166 3.1166 6.6548 6.6548 7.8803 7.8803 8.3332 8.3332 8.3833 8.3833 9.7054 9.7054 9.8892 9.8892 10.0168 10.0168 10.0559 10.0559 10.1833 10.1833 10.5545 10.5545 10.7492 10.7492 10.7764 10.7764 10.8083 10.8083 12.4142 12.4142 14.6540 14.6540 17.0848 17.0848 17.5255 17.5255 18.0165 18.0165 k = 0.4936 0.2998-0.0000 ( 4122 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0791 3.0791 3.1174 3.1174 6.6555 6.6555 7.8789 7.8789 8.3324 8.3324 8.3840 8.3840 9.7038 9.7038 9.8793 9.8793 10.0156 10.0156 10.0486 10.0486 10.2043 10.2043 10.5547 10.5547 10.7476 10.7476 10.7756 10.7756 10.8060 10.8060 12.4219 12.4219 14.6509 14.6509 17.0438 17.0438 17.5314 17.5314 18.0568 18.0568 k = 0.4872 0.3109-0.0000 ( 4122 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0801 3.0801 3.1199 3.1199 6.6575 6.6575 7.8747 7.8747 8.3300 8.3300 8.3864 8.3864 9.6992 9.6992 9.8495 9.8495 10.0159 10.0159 10.0364 10.0364 10.2527 10.2527 10.5551 10.5551 10.7417 10.7417 10.7731 10.7731 10.8006 10.8006 12.4443 12.4443 14.6414 14.6414 16.9376 16.9376 17.5493 17.5493 18.1552 18.1552 k = 0.4808 0.3220-0.0000 ( 4134 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0819 3.0819 3.1239 3.1239 6.6609 6.6609 7.8678 7.8678 8.3255 8.3255 8.3906 8.3906 9.6918 9.6918 9.8053 9.8053 10.0062 10.0062 10.0408 10.0408 10.3117 10.3117 10.5561 10.5561 10.7295 10.7295 10.7703 10.7703 10.7954 10.7954 12.4799 12.4799 14.6256 14.6256 16.7943 16.7943 17.5796 17.5796 18.2314 18.2314 k = 0.4744 0.3331-0.0000 ( 4134 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1455 -36.1455 3.0843 3.0843 3.1296 3.1296 6.6656 6.6656 7.8585 7.8585 8.3185 8.3185 8.3970 8.3970 9.6815 9.6815 9.7546 9.7546 9.9825 9.9825 10.0642 10.0642 10.3737 10.3737 10.5582 10.5582 10.7118 10.7118 10.7686 10.7686 10.7919 10.7919 12.5264 12.5264 14.6031 14.6031 16.6326 16.6326 17.6221 17.6221 18.1486 18.1486 k = 0.4679 0.3442-0.0000 ( 4140 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1455 -36.1455 3.0875 3.0875 3.1367 3.1367 6.6716 6.6716 7.8469 7.8469 8.3088 8.3088 8.4057 8.4057 9.6636 9.6636 9.7068 9.7068 9.9521 9.9521 10.0965 10.0965 10.4320 10.4320 10.5625 10.5625 10.6942 10.6942 10.7684 10.7684 10.7898 10.7898 12.5814 12.5814 14.5738 14.5738 16.4620 16.4620 17.6768 17.6768 18.0055 18.0055 k = 0.4615 0.3553-0.0000 ( 4140 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1456 -36.1456 3.0914 3.0914 3.1452 3.1452 6.6789 6.6789 7.8335 7.8335 8.2960 8.2960 8.4168 8.4168 9.6243 9.6243 9.6775 9.6775 9.9170 9.9170 10.1348 10.1348 10.4770 10.4770 10.5702 10.5702 10.6866 10.6866 10.7696 10.7696 10.7894 10.7894 12.6423 12.6423 14.5375 14.5375 16.2875 16.2875 17.7435 17.7435 17.8558 17.8558 k = 0.4551 0.3664-0.0000 ( 4132 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1456 -36.1456 3.0959 3.0959 3.1550 3.1550 6.6873 6.6873 7.8185 7.8185 8.2799 8.2799 8.4300 8.4300 9.5714 9.5714 9.6590 9.6590 9.8798 9.8798 10.1772 10.1772 10.5002 10.5002 10.5763 10.5763 10.7004 10.7004 10.7724 10.7724 10.7942 10.7942 12.7071 12.7071 14.4939 14.4939 16.1119 16.1119 17.7090 17.7090 17.8221 17.8221 k = 0.4487 0.3775-0.0000 ( 4138 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1456 -36.1456 3.1012 3.1012 3.1661 3.1661 6.6969 6.6969 7.8021 7.8021 8.2603 8.2603 8.4452 8.4452 9.5160 9.5160 9.6387 9.6387 9.8439 9.8439 10.2219 10.2219 10.5070 10.5070 10.5748 10.5748 10.7261 10.7261 10.7741 10.7741 10.8184 10.8184 12.7739 12.7739 14.4425 14.4425 15.9366 15.9366 17.5683 17.5683 17.9123 17.9123 k = 0.4423 0.3886-0.0000 ( 4136 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1456 -36.1456 3.1071 3.1071 3.1781 3.1781 6.7074 6.7074 7.7849 7.7849 8.2369 8.2369 8.4622 8.4622 9.4608 9.4608 9.6121 9.6121 9.8134 9.8134 10.2664 10.2664 10.5076 10.5076 10.5709 10.5709 10.7408 10.7408 10.7736 10.7736 10.8732 10.8732 12.8412 12.8412 14.3833 14.3833 15.7627 15.7627 17.4354 17.4354 18.0139 18.0139 k = 0.4359 0.3997-0.0000 ( 4140 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 3.1138 3.1138 3.1911 3.1911 6.7189 6.7189 7.7671 7.7671 8.2093 8.2093 8.4810 8.4810 9.4066 9.4066 9.5777 9.5777 9.7911 9.7911 10.3068 10.3068 10.5103 10.5103 10.5683 10.5683 10.7466 10.7466 10.7719 10.7719 10.9465 10.9465 12.9080 12.9080 14.3161 14.3161 15.5911 15.5911 17.3113 17.3113 18.1265 18.1265 k = 0.4295 0.4108-0.0000 ( 4140 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 3.1210 3.1210 3.2049 3.2049 6.7312 6.7312 7.7491 7.7491 8.1776 8.1776 8.5014 8.5014 9.3539 9.3539 9.5369 9.5369 9.7771 9.7771 10.3368 10.3368 10.5226 10.5226 10.5682 10.5682 10.7492 10.7492 10.7698 10.7698 11.0284 11.0284 12.9732 12.9732 14.2409 14.2409 15.4224 15.4224 17.1966 17.1966 18.2497 18.2497 k = 0.4231 0.4219-0.0000 ( 4142 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 3.1289 3.1289 3.2191 3.2191 6.7441 6.7441 7.7312 7.7312 8.1416 8.1416 8.5232 8.5232 9.3032 9.3032 9.4925 9.4925 9.7699 9.7699 10.3517 10.3517 10.5457 10.5457 10.5746 10.5746 10.7508 10.7508 10.7675 10.7675 11.1152 11.1152 13.0363 13.0363 14.1580 14.1580 15.2571 15.2571 17.0917 17.0917 18.3830 18.3830 k = 0.4167 0.4330-0.0000 ( 4144 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 3.1374 3.1374 3.2336 3.2336 6.7574 6.7574 7.7137 7.7137 8.1015 8.1015 8.5462 8.5462 9.2548 9.2548 9.4475 9.4475 9.7675 9.7675 10.3534 10.3534 10.5586 10.5586 10.6061 10.6061 10.7522 10.7522 10.7652 10.7652 11.2053 11.2053 13.0967 13.0967 14.0676 14.0676 15.0957 15.0957 16.9967 16.9967 18.5259 18.5259 k = 0.4103 0.4441-0.0000 ( 4144 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2434 -36.2434 -36.2211 -36.2211 -36.1456 -36.1456 3.1465 3.1465 3.2482 3.2482 6.7710 6.7710 7.6968 7.6968 8.0576 8.0576 8.5703 8.5703 9.2092 9.2092 9.4038 9.4038 9.7685 9.7685 10.3472 10.3472 10.5618 10.5618 10.6556 10.6556 10.7540 10.7540 10.7633 10.7633 11.2980 11.2980 13.1543 13.1543 13.9703 13.9703 14.9388 14.9388 16.9116 16.9116 18.6777 18.6777 k = 0.4038 0.4552-0.0000 ( 4144 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2434 -36.2434 -36.2211 -36.2211 -36.1456 -36.1456 3.1562 3.1562 3.2625 3.2625 6.7846 6.7846 7.6809 7.6809 8.0106 8.0106 8.5951 8.5951 9.1668 9.1668 9.3629 9.3629 9.7720 9.7720 10.3369 10.3369 10.5637 10.5637 10.7064 10.7064 10.7561 10.7561 10.7663 10.7663 11.3929 11.3929 13.2086 13.2086 13.8669 13.8669 14.7868 14.7868 16.8360 16.8360 18.8377 18.8377 k = 0.3974 0.4663-0.0000 ( 4150 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2434 -36.2434 -36.2212 -36.2212 -36.1456 -36.1456 3.1664 3.1664 3.2763 3.2763 6.7979 6.7979 7.6661 7.6661 7.9613 7.9613 8.6203 8.6203 9.1277 9.1277 9.3254 9.3254 9.7773 9.7773 10.3245 10.3245 10.5654 10.5654 10.7370 10.7370 10.7551 10.7551 10.7951 10.7951 11.4898 11.4898 13.2593 13.2593 13.7584 13.7584 14.6403 14.6403 16.7695 16.7695 19.0050 19.0050 k = 0.3910 0.4774-0.0000 ( 4138 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2434 -36.2434 -36.2212 -36.2212 -36.1456 -36.1456 3.1772 3.1772 3.2892 3.2892 6.8107 6.8107 7.6525 7.6525 7.9111 7.9111 8.6458 8.6458 9.0920 9.0920 9.2918 9.2918 9.7841 9.7841 10.3113 10.3113 10.5672 10.5672 10.7451 10.7451 10.7530 10.7530 10.8482 10.8482 11.5884 11.5884 13.3055 13.3055 13.6468 13.6468 14.5001 14.5001 16.7118 16.7118 19.1786 19.1786 k = 0.3846 0.4885-0.0000 ( 4138 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.1885 3.1885 3.3009 3.3009 6.8225 6.8225 7.6404 7.6404 7.8612 7.8612 8.6710 8.6710 9.0598 9.0598 9.2623 9.2623 9.7919 9.7919 10.2976 10.2976 10.5689 10.5689 10.7481 10.7481 10.7508 10.7508 10.9057 10.9057 11.6887 11.6887 13.3432 13.3432 13.5371 13.5371 14.3668 14.3668 16.6622 16.6622 19.3572 19.3572 k = 0.3782 0.4996-0.0000 ( 4134 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2003 3.2003 3.3109 3.3109 6.8330 6.8330 7.6299 7.6299 7.8130 7.8130 8.6957 8.6957 9.0308 9.0308 9.2371 9.2371 9.8003 9.8003 10.2839 10.2839 10.5707 10.5707 10.7486 10.7486 10.7502 10.7502 10.9622 10.9622 11.7905 11.7905 13.3427 13.3427 13.4601 13.4601 14.2413 14.2413 16.6202 16.6202 19.5392 19.5392 k = 0.3718 0.5107-0.0000 ( 4142 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2126 3.2126 3.3188 3.3188 6.8418 6.8418 7.6210 7.6210 7.7680 7.7680 8.7192 8.7192 9.0049 9.0049 9.2159 9.2159 9.8089 9.8089 10.2706 10.2706 10.5723 10.5723 10.7466 10.7466 10.7520 10.7520 11.0154 11.0154 11.8937 11.8937 13.2543 13.2543 13.4668 13.4668 14.1246 14.1246 16.5851 16.5851 19.7225 19.7225 k = 0.3654 0.5218-0.0000 ( 4146 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2253 3.2253 3.3244 3.3244 6.8488 6.8488 7.6137 7.6137 7.7276 7.7276 8.7411 8.7411 8.9823 8.9823 9.1987 9.1987 9.8174 9.8174 10.2582 10.2582 10.5739 10.5739 10.7448 10.7448 10.7539 10.7539 11.0639 11.0639 11.9982 11.9982 13.1373 13.1373 13.4989 13.4989 14.0178 14.0178 16.5566 16.5566 19.9038 19.9038 k = 0.3590 0.5329-0.0000 ( 4142 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2385 3.2385 3.3271 3.3271 6.8536 6.8536 7.6081 7.6081 7.6932 7.6932 8.7606 8.7606 8.9631 8.9631 9.1855 9.1855 9.8255 9.8255 10.2471 10.2471 10.5753 10.5753 10.7433 10.7433 10.7559 10.7559 11.1062 11.1062 12.1039 12.1039 13.0157 13.0157 13.5339 13.5339 13.9222 13.9222 16.5340 16.5340 20.0779 20.0779 k = 0.3526 0.5440-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2519 3.2519 3.3267 3.3267 6.8565 6.8565 7.6038 7.6038 7.6660 7.6660 8.7768 8.7768 8.9476 8.9476 9.1758 9.1758 9.8326 9.8326 10.2379 10.2379 10.5765 10.5765 10.7422 10.7422 10.7578 10.7578 11.1409 11.1409 12.2107 12.2107 12.8940 12.8940 13.5687 13.5687 13.8390 13.8390 16.5170 16.5170 20.2362 20.2362 k = 0.3462 0.5551-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2213 -36.2213 -36.1456 -36.1456 3.2654 3.2654 3.3229 3.3229 6.8577 6.8577 7.6004 7.6004 7.6468 7.6468 8.7888 8.7888 8.9365 8.9365 9.1694 9.1694 9.8381 9.8381 10.2307 10.2307 10.5775 10.5775 10.7414 10.7414 10.7597 10.7597 11.1669 11.1669 12.3181 12.3181 12.7744 12.7744 13.6023 13.6023 13.7695 13.7695 16.5053 16.5053 20.3649 20.3649 k = 0.3397 0.5662-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2436 -36.2436 -36.2213 -36.2213 -36.1456 -36.1456 3.2781 3.2781 3.3162 3.3162 6.8578 6.8578 7.5978 7.5978 7.6362 7.6362 8.7959 8.7959 8.9302 8.9302 9.1659 9.1659 9.8417 9.8417 10.2261 10.2261 10.5780 10.5780 10.7409 10.7409 10.7611 10.7611 11.1829 11.1829 12.4248 12.4248 12.6594 12.6594 13.6338 13.6338 13.7159 13.7159 16.4984 16.4984 20.4467 20.4467 k = 0.3333 0.5774-0.0000 ( 4140 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2436 -36.2436 -36.2213 -36.2213 -36.1456 -36.1456 3.2854 3.2854 3.3110 3.3110 6.8576 6.8576 7.5965 7.5965 7.6330 7.6330 8.7981 8.7981 8.9282 8.9282 9.1648 9.1648 9.8430 9.8430 10.2246 10.2246 10.5782 10.5782 10.7407 10.7407 10.7616 10.7616 11.1883 11.1883 12.5054 12.5054 12.5758 12.5758 13.6531 13.6531 13.6891 13.6891 16.4961 16.4961 20.4728 20.4728 k = 0.3333 0.5774-0.0000 ( 4140 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2436 -36.2436 -36.2213 -36.2213 -36.1456 -36.1456 3.2854 3.2854 3.3110 3.3110 6.8576 6.8576 7.5965 7.5965 7.6330 7.6330 8.7981 8.7981 8.9282 8.9282 9.1648 9.1648 9.8430 9.8430 10.2246 10.2246 10.5782 10.5782 10.7407 10.7407 10.7616 10.7616 11.1883 11.1883 12.5054 12.5054 12.5758 12.5758 13.6531 13.6531 13.6891 13.6891 16.4961 16.4961 20.4728 20.4728 k = 0.3269 0.5662-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2436 -36.2436 -36.2212 -36.2212 -36.1456 -36.1456 3.2761 3.2761 3.3181 3.3181 6.8581 6.8581 7.5982 7.5982 7.6355 7.6355 8.7965 8.7965 8.9296 8.9296 9.1657 9.1657 9.8416 9.8416 10.2261 10.2261 10.5780 10.5780 10.7408 10.7408 10.7609 10.7609 11.1829 11.1829 12.4273 12.4273 12.6574 12.6574 13.6409 13.6409 13.7090 13.7090 16.4983 16.4983 20.4523 20.4523 k = 0.3205 0.5551-0.0000 ( 4128 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2557 3.2557 3.3320 3.3320 6.8604 6.8604 7.6036 7.6036 7.6419 7.6419 8.7923 8.7923 8.9326 8.9326 9.1682 9.1682 9.8378 9.8378 10.2307 10.2307 10.5774 10.5774 10.7414 10.7414 10.7581 10.7581 11.1670 11.1670 12.3292 12.3292 12.7667 12.7667 13.6332 13.6332 13.7395 13.7395 16.5048 16.5048 20.4022 20.4022 k = 0.3141 0.5440-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.2290 3.2290 3.3476 3.3476 6.8654 6.8654 7.6128 7.6128 7.6513 7.6513 8.7870 8.7870 8.9356 8.9356 9.1717 9.1717 9.8316 9.8316 10.2378 10.2378 10.5763 10.5763 10.7420 10.7420 10.7528 10.7528 11.1415 11.1415 12.2376 12.2376 12.8784 12.8784 13.6388 13.6388 13.7714 13.7714 16.5155 16.5155 20.3361 20.3361 k = 0.3077 0.5329-0.0000 ( 4132 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.1968 3.1968 3.3640 3.3640 6.8740 6.8740 7.6254 7.6254 7.6634 7.6634 8.7815 8.7815 8.9374 8.9374 9.1759 9.1759 9.8235 9.8235 10.2467 10.2467 10.5747 10.5747 10.7412 10.7412 10.7456 10.7456 11.1081 11.1081 12.1555 12.1555 12.9911 12.9911 13.6577 13.6577 13.8039 13.8039 16.5302 16.5302 20.2620 20.2620 k = 0.3013 0.5218-0.0000 ( 4128 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.1597 3.1597 3.3810 3.3810 6.8867 6.8867 7.6410 7.6410 7.6777 7.6777 8.7765 8.7765 8.9372 8.9372 9.1806 9.1806 9.8140 9.8140 10.2562 10.2562 10.5724 10.5724 10.7296 10.7296 10.7449 10.7449 11.0690 11.0690 12.0843 12.0843 13.1044 13.1044 13.6889 13.6889 13.8371 13.8371 16.5490 16.5490 20.1842 20.1842 k = 0.2949 0.5107-0.0000 ( 4131 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2435 -36.2435 -36.2212 -36.2212 -36.1456 -36.1456 3.1176 3.1176 3.3985 3.3985 6.9040 6.9040 7.6590 7.6590 7.6942 7.6942 8.7719 8.7719 8.9342 8.9342 9.1855 9.1855 9.8040 9.8040 10.2647 10.2647 10.5690 10.5690 10.7119 10.7119 10.7456 10.7456 11.0271 11.0271 12.0253 12.0253 13.2179 13.2179 13.7307 13.7307 13.8712 13.8712 16.5719 16.5719 20.1053 20.1053 k = 0.2885 0.4996-0.0000 ( 4141 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2434 -36.2434 -36.2212 -36.2212 -36.1456 -36.1456 3.0711 3.0711 3.4165 3.4165 6.9262 6.9262 7.6788 7.6788 7.7125 7.7125 8.7680 8.7680 8.9279 8.9279 9.1903 9.1903 9.7940 9.7940 10.2703 10.2703 10.5641 10.5641 10.6899 10.6899 10.7456 10.7456 10.9859 10.9859 11.9792 11.9792 13.3314 13.3314 13.7817 13.7817 13.9064 13.9064 16.5989 16.5989 20.0267 20.0267 k = 0.2821 0.4885-0.0000 ( 4145 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7044 -40.7044 -40.6636 -40.6636 -36.2794 -36.2794 -36.2434 -36.2434 -36.2212 -36.2212 -36.1456 -36.1456 3.0203 3.0203 3.4349 3.4349 6.9532 6.9532 7.6999 7.6999 7.7327 7.7327 8.7646 8.7646 8.9181 8.9181 9.1949 9.1949 9.7847 9.7847 10.2702 10.2702 10.5564 10.5564 10.6654 10.6654 10.7441 10.7441 10.9498 10.9498 11.9464 11.9464 13.4447 13.4447 13.8403 13.8403 13.9430 13.9430 16.6301 16.6301 19.9492 19.9492 k = 0.2756 0.4774-0.0000 ( 4147 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2434 -36.2434 -36.2211 -36.2211 -36.1456 -36.1456 2.9656 2.9656 3.4538 3.4538 6.9850 6.9850 7.7219 7.7219 7.7547 7.7547 8.7611 8.7611 8.9050 8.9050 9.1991 9.1991 9.7770 9.7770 10.2618 10.2618 10.5436 10.5436 10.6415 10.6415 10.7402 10.7402 10.9234 10.9234 11.9264 11.9264 13.5574 13.5574 13.9051 13.9051 13.9816 13.9816 16.6655 16.6655 19.8736 19.8736 k = 0.2692 0.4663-0.0000 ( 4135 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 2.9074 2.9074 3.4731 3.4731 7.0214 7.0214 7.7443 7.7443 7.7784 7.7784 8.7563 8.7563 8.8894 8.8894 9.2024 9.2024 9.7715 9.7715 10.2426 10.2426 10.5227 10.5227 10.6223 10.6223 10.7339 10.7339 10.9103 10.9103 11.9183 11.9183 13.6689 13.6689 13.9742 13.9742 14.0230 14.0230 16.7052 16.7052 19.8000 19.8000 k = 0.2628 0.4552-0.0000 ( 4131 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2433 -36.2433 -36.2211 -36.2211 -36.1456 -36.1456 2.8461 2.8461 3.4928 3.4928 7.0619 7.0619 7.7667 7.7667 7.8041 7.8041 8.7479 8.7479 8.8734 8.8734 9.2046 9.2046 9.7684 9.7684 10.2117 10.2117 10.4927 10.4927 10.6096 10.6096 10.7268 10.7268 10.9111 10.9111 11.9210 11.9210 13.7784 13.7784 14.0432 14.0432 14.0714 14.0714 16.7494 16.7494 19.7288 19.7288 k = 0.2564 0.4441-0.0000 ( 4131 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2432 -36.2432 -36.2210 -36.2210 -36.1456 -36.1456 2.7821 2.7821 3.5130 3.5130 7.1061 7.1061 7.7885 7.7885 7.8314 7.8314 8.7328 8.7328 8.8601 8.8601 9.2051 9.2051 9.7678 9.7678 10.1704 10.1704 10.4560 10.4560 10.6020 10.6020 10.7214 10.7214 10.9244 10.9244 11.9330 11.9330 13.8847 13.8847 14.1007 14.1007 14.1380 14.1380 16.7981 16.7981 19.6600 19.6600 k = 0.2500 0.4330-0.0000 ( 4129 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6636 -40.6636 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1456 -36.1456 2.7159 2.7159 3.5336 3.5336 7.1535 7.1535 7.8097 7.8097 7.8604 7.8604 8.7079 8.7079 8.8528 8.8528 9.2037 9.2037 9.7688 9.7688 10.1225 10.1225 10.4153 10.4153 10.5975 10.5975 10.7186 10.7186 10.9482 10.9482 11.9527 11.9527 13.9860 13.9860 14.1536 14.1536 14.2172 14.2172 16.8515 16.8515 19.5938 19.5938 k = 0.2436 0.4219-0.0000 ( 4121 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2209 -36.2209 -36.1455 -36.1455 2.6479 2.6479 3.5546 3.5546 7.2035 7.2035 7.8301 7.8301 7.8908 7.8908 8.6729 8.6729 8.8519 8.8519 9.2000 9.2000 9.7683 9.7683 10.0741 10.0741 10.3728 10.3728 10.5951 10.5951 10.7183 10.7183 10.9807 10.9807 11.9790 11.9790 14.0788 14.0788 14.2116 14.2116 14.3013 14.3013 16.9097 16.9097 19.5301 19.5301 k = 0.2372 0.4108-0.0000 ( 4121 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2430 -36.2430 -36.2209 -36.2209 -36.1455 -36.1455 2.5784 2.5784 3.5760 3.5760 7.2556 7.2556 7.8496 7.8496 7.9223 7.9223 8.6292 8.6292 8.8564 8.8564 9.1940 9.1940 9.7602 9.7602 10.0339 10.0339 10.3301 10.3301 10.5939 10.5939 10.7195 10.7195 11.0208 11.0208 12.0105 12.0105 14.1596 14.1596 14.2785 14.2785 14.3892 14.3892 16.9729 16.9729 19.4691 19.4691 k = 0.2308 0.3997-0.0000 ( 4133 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2429 -36.2429 -36.2208 -36.2208 -36.1455 -36.1455 2.5078 2.5078 3.5978 3.5978 7.3091 7.3091 7.8681 7.8681 7.9546 7.9546 8.5789 8.5789 8.8648 8.8648 9.1858 9.1858 9.7356 9.7356 10.0130 10.0130 10.2881 10.2881 10.5937 10.5937 10.7217 10.7217 11.0674 11.0674 12.0462 12.0462 14.2288 14.2288 14.3533 14.3533 14.4807 14.4807 17.0411 17.0411 19.4105 19.4105 k = 0.2244 0.3886-0.0000 ( 4133 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7042 -40.7042 -40.6634 -40.6634 -36.2794 -36.2794 -36.2428 -36.2428 -36.2208 -36.2208 -36.1455 -36.1455 2.4365 2.4365 3.6201 3.6201 7.3633 7.3633 7.8857 7.8857 7.9874 7.9874 8.5236 8.5236 8.8763 8.8763 9.1759 9.1759 9.6909 9.6909 10.0167 10.0167 10.2477 10.2477 10.5943 10.5943 10.7244 10.7244 11.1198 11.1198 12.0850 12.0850 14.2909 14.2909 14.4309 14.4309 14.5754 14.5754 17.1146 17.1146 19.3545 19.3545 k = 0.2179 0.3775-0.0000 ( 4129 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7042 -40.7042 -40.6634 -40.6634 -36.2794 -36.2794 -36.2427 -36.2427 -36.2207 -36.2207 -36.1455 -36.1455 2.3648 2.3648 3.6427 3.6427 7.4175 7.4175 7.9023 7.9023 8.0202 8.0202 8.4645 8.4645 8.8901 8.8901 9.1644 9.1644 9.6308 9.6308 10.0411 10.0411 10.2091 10.2091 10.5957 10.5957 10.7274 10.7274 11.1775 11.1775 12.1263 12.1263 14.3504 14.3504 14.5070 14.5070 14.6725 14.6725 17.1933 17.1933 19.3010 19.3010 k = 0.2115 0.3664-0.0000 ( 4125 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6634 -40.6634 -36.2794 -36.2794 -36.2427 -36.2427 -36.2207 -36.2207 -36.1455 -36.1455 2.2930 2.2930 3.6657 3.6657 7.4712 7.4712 7.9180 7.9180 8.0522 8.0522 8.4031 8.4031 8.9061 8.9061 9.1520 9.1520 9.5620 9.5620 10.0803 10.0803 10.1726 10.1726 10.5981 10.5981 10.7305 10.7305 11.2398 11.2398 12.1691 12.1691 14.4094 14.4094 14.5797 14.5797 14.7707 14.7707 17.2775 17.2775 19.2499 19.2499 k = 0.2051 0.3553-0.0000 ( 4121 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2426 -36.2426 -36.2206 -36.2206 -36.1455 -36.1455 2.2214 2.2214 3.6891 3.6891 7.5235 7.5235 7.9327 7.9327 8.0818 8.0818 8.3418 8.3418 8.9238 8.9238 9.1389 9.1389 9.4888 9.4888 10.1296 10.1296 10.1386 10.1386 10.6016 10.6016 10.7337 10.7337 11.3064 11.3064 12.2131 12.2131 14.4691 14.4691 14.6482 14.6482 14.8688 14.8688 17.3671 17.3671 19.2010 19.2010 k = 0.1987 0.3442-0.0000 ( 4117 PWs) bands (ev): -71.8520 -71.8520 -71.8365 -71.8365 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2425 -36.2425 -36.2205 -36.2205 -36.1454 -36.1454 2.1502 2.1502 3.7129 3.7129 7.5736 7.5736 7.9466 7.9466 8.1047 8.1047 8.2853 8.2853 8.9431 8.9431 9.1257 9.1257 9.4140 9.4140 10.1057 10.1057 10.1878 10.1878 10.6066 10.6066 10.7369 10.7369 11.3769 11.3769 12.2577 12.2577 14.5298 14.5298 14.7125 14.7125 14.9659 14.9659 17.4623 17.4623 19.1542 19.1542 k = 0.1923 0.3331-0.0000 ( 4127 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7042 -40.7042 -40.6633 -40.6633 -36.2794 -36.2794 -36.2424 -36.2424 -36.2205 -36.2205 -36.1454 -36.1454 2.0797 2.0797 3.7369 3.7369 7.6209 7.6209 7.9594 7.9594 8.1081 8.1081 8.2470 8.2470 8.9636 8.9636 9.1128 9.1128 9.3392 9.3392 10.0753 10.0753 10.2513 10.2513 10.6137 10.6137 10.7404 10.7404 11.4511 11.4511 12.3023 12.3023 14.5914 14.5914 14.7726 14.7726 15.0609 15.0609 17.5631 17.5631 19.1092 19.1092 k = 0.1859 0.3220-0.0000 ( 4131 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6632 -40.6632 -36.2794 -36.2794 -36.2422 -36.2422 -36.2204 -36.2204 -36.1454 -36.1454 2.0101 2.0101 3.7612 3.7612 7.6647 7.6648 7.9703 7.9703 8.0775 8.0775 8.2428 8.2428 8.9852 8.9852 9.1005 9.1005 9.2657 9.2657 10.0468 10.0468 10.3184 10.3184 10.6244 10.6244 10.7442 10.7442 11.5286 11.5286 12.3466 12.3466 14.6537 14.6537 14.8291 14.8291 15.1533 15.1533 17.6695 17.6695 19.0656 19.0656 k = 0.1795 0.3109-0.0000 ( 4131 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6632 -40.6632 -36.2794 -36.2794 -36.2421 -36.2421 -36.2203 -36.2203 -36.1454 -36.1454 1.9416 1.9416 3.7859 3.7859 7.7043 7.7043 7.9719 7.9719 8.0327 8.0327 8.2604 8.2604 9.0073 9.0073 9.0891 9.0891 9.1950 9.1950 10.0200 10.0200 10.3855 10.3855 10.6413 10.6413 10.7490 10.7490 11.6094 11.6094 12.3904 12.3904 14.7158 14.7158 14.8827 14.8827 15.2422 15.2422 17.7815 17.7815 19.0228 19.0228 k = 0.1731 0.2998-0.0000 ( 4141 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6632 -40.6632 -36.2794 -36.2794 -36.2420 -36.2420 -36.2203 -36.2203 -36.1454 -36.1454 1.8743 1.8743 3.8107 3.8107 7.7389 7.7389 7.9350 7.9350 8.0190 8.0190 8.2842 8.2842 9.0278 9.0278 9.0790 9.0790 9.1296 9.1296 9.9947 9.9947 10.4463 10.4463 10.6682 10.6682 10.7566 10.7566 11.6933 11.6933 12.4332 12.4332 14.7764 14.7764 14.9347 14.9347 15.3271 15.3271 17.8990 17.8990 18.9793 18.9793 k = 0.1667 0.2887-0.0000 ( 4137 PWs) bands (ev): -71.8520 -71.8520 -71.8366 -71.8366 -40.7041 -40.7041 -40.6631 -40.6631 -36.2794 -36.2794 -36.2419 -36.2419 -36.2202 -36.2202 -36.1454 -36.1454 1.8084 1.8084 3.8357 3.8357 7.7680 7.7680 7.8731 7.8731 8.0287 8.0287 8.3082 8.3082 9.0316 9.0316 9.0693 9.0693 9.0872 9.0872 9.9711 9.9711 10.4935 10.4935 10.7045 10.7045 10.7749 10.7749 11.7799 11.7799 12.4750 12.4750 14.8334 14.8334 14.9874 14.9874 15.4074 15.4074 18.0219 18.0219 18.9334 18.9334 k = 0.1603 0.2776-0.0000 ( 4143 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7041 -40.7041 -40.6631 -40.6631 -36.2794 -36.2794 -36.2418 -36.2418 -36.2201 -36.2201 -36.1453 -36.1453 1.7442 1.7442 3.8608 3.8608 7.7891 7.7891 7.8090 7.8090 8.0431 8.0431 8.3294 8.3294 8.9894 8.9894 9.0611 9.0611 9.0966 9.0966 9.9491 9.9491 10.5246 10.5246 10.7304 10.7304 10.8254 10.8254 11.8692 11.8692 12.5155 12.5155 14.8842 14.8842 15.0432 15.0432 15.4827 15.4827 18.1499 18.1499 18.8823 18.8823 k = 0.1538 0.2665-0.0000 ( 4147 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7041 -40.7041 -40.6630 -40.6630 -36.2794 -36.2794 -36.2417 -36.2417 -36.2200 -36.2200 -36.1453 -36.1453 1.6816 1.6816 3.8861 3.8861 7.7376 7.7376 7.8114 7.8114 8.0594 8.0594 8.3458 8.3458 8.9398 8.9398 9.0554 9.0554 9.1201 9.1201 9.9283 9.9283 10.5439 10.5439 10.7412 10.7412 10.9084 10.9084 11.9609 11.9609 12.5546 12.5546 14.9271 14.9271 15.1040 15.1040 15.5524 15.5524 18.2827 18.2827 18.8239 18.8239 k = 0.1474 0.2554-0.0000 ( 4143 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6630 -40.6630 -36.2794 -36.2794 -36.2416 -36.2416 -36.2200 -36.2200 -36.1453 -36.1453 1.6209 1.6209 3.9113 3.9113 7.6712 7.6712 7.8245 7.8245 8.0764 8.0764 8.3550 8.3550 8.8970 8.8970 9.0511 9.0511 9.1464 9.1464 9.9089 9.9089 10.5566 10.5566 10.7469 10.7469 11.0083 11.0083 12.0548 12.0548 12.5923 12.5923 14.9620 14.9620 15.1702 15.1702 15.6164 15.6164 18.4187 18.4187 18.7589 18.7589 k = 0.1410 0.2443-0.0000 ( 4139 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6630 -40.6630 -36.2794 -36.2794 -36.2414 -36.2414 -36.2199 -36.2199 -36.1453 -36.1453 1.5621 1.5621 3.9366 3.9366 7.6058 7.6058 7.8334 7.8334 8.0934 8.0934 8.3551 8.3551 8.8644 8.8644 9.0484 9.0484 9.1737 9.1737 9.8909 9.8909 10.5656 10.5656 10.7510 10.7510 11.1183 11.1183 12.1506 12.1506 12.6286 12.6286 14.9903 14.9903 15.2405 15.2405 15.6742 15.6742 18.5487 18.5487 18.6976 18.6976 k = 0.1346 0.2332-0.0000 ( 4151 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6629 -40.6629 -36.2794 -36.2794 -36.2413 -36.2413 -36.2198 -36.2198 -36.1453 -36.1453 1.5053 1.5053 3.9617 3.9617 7.5418 7.5418 7.8386 7.8386 8.1099 8.1099 8.3448 8.3448 8.8434 8.8434 9.0471 9.0471 9.2013 9.2013 9.8740 9.8740 10.5725 10.5725 10.7545 10.7545 11.2352 11.2352 12.2478 12.2478 12.6633 12.6633 15.0135 15.0135 15.3134 15.3134 15.7259 15.7259 18.5731 18.5731 18.7408 18.7408 k = 0.1282 0.2221-0.0000 ( 4151 PWs) bands (ev): -71.8521 -71.8521 -71.8366 -71.8366 -40.7040 -40.7040 -40.6629 -40.6629 -36.2794 -36.2794 -36.2412 -36.2412 -36.2197 -36.2197 -36.1452 -36.1452 1.4507 1.4507 3.9867 3.9867 7.4798 7.4798 7.8409 7.8409 8.1256 8.1256 8.3242 8.3242 8.8339 8.8339 9.0473 9.0473 9.2290 9.2290 9.8585 9.8585 10.5782 10.5782 10.7576 10.7576 11.3577 11.3577 12.3462 12.3462 12.6967 12.6967 15.0331 15.0331 15.3876 15.3876 15.7714 15.7714 18.4993 18.4993 18.8788 18.8788 k = 0.1218 0.2110-0.0000 ( 4145 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6628 -40.6628 -36.2794 -36.2794 -36.2411 -36.2411 -36.2197 -36.2197 -36.1452 -36.1452 1.3983 1.3983 4.0113 4.0113 7.4198 7.4198 7.8407 7.8407 8.1400 8.1400 8.2949 8.2949 8.8346 8.8346 9.0487 9.0487 9.2567 9.2567 9.8442 9.8442 10.5831 10.5831 10.7607 10.7607 11.4845 11.4845 12.4451 12.4451 12.7291 12.7291 15.0506 15.0506 15.4619 15.4619 15.8112 15.8112 18.4132 18.4132 18.8817 18.8817 k = 0.1154 0.1999-0.0000 ( 4155 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6628 -40.6628 -36.2794 -36.2794 -36.2410 -36.2410 -36.2196 -36.2196 -36.1452 -36.1452 1.3482 1.3482 4.0357 4.0357 7.3621 7.3621 7.8385 7.8385 8.1531 8.1531 8.2592 8.2592 8.8429 8.8429 9.0512 9.0512 9.2839 9.2839 9.8312 9.8312 10.5873 10.5873 10.7634 10.7634 11.6145 11.6145 12.5432 12.5432 12.7612 12.7612 15.0669 15.0669 15.5348 15.5348 15.8458 15.8458 18.3227 18.3227 18.8718 18.8718 k = 0.1090 0.1887-0.0000 ( 4151 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6628 -40.6628 -36.2794 -36.2794 -36.2409 -36.2409 -36.2195 -36.2195 -36.1452 -36.1452 1.3005 1.3005 4.0596 4.0596 7.3069 7.3069 7.8348 7.8348 8.1649 8.1649 8.2195 8.2195 8.8567 8.8567 9.0547 9.0547 9.3104 9.3104 9.8195 9.8195 10.5911 10.5911 10.7663 10.7663 11.7471 11.7471 12.6382 12.6382 12.7950 12.7950 15.0835 15.0835 15.6047 15.6047 15.8765 15.8765 18.2293 18.2293 18.8653 18.8653 k = 0.1026 0.1776-0.0000 ( 4139 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6627 -40.6627 -36.2794 -36.2794 -36.2408 -36.2408 -36.2195 -36.2195 -36.1452 -36.1452 1.2552 1.2552 4.0830 4.0830 7.2544 7.2544 7.8299 7.8299 8.1743 8.1743 8.1786 8.1786 8.8739 8.8739 9.0590 9.0590 9.3361 9.3361 9.8092 9.8092 10.5947 10.5947 10.7691 10.7691 11.8813 11.8813 12.7232 12.7232 12.8371 12.8371 15.1013 15.1013 15.6693 15.6693 15.9051 15.9051 18.1334 18.1334 18.8624 18.8624 k = 0.0962 0.1665-0.0000 ( 4139 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7039 -40.7039 -40.6627 -40.6627 -36.2794 -36.2794 -36.2407 -36.2407 -36.2194 -36.2194 -36.1451 -36.1451 1.2124 1.2124 4.1057 4.1057 7.2045 7.2045 7.8240 7.8240 8.1349 8.1349 8.1845 8.1845 8.8930 8.8930 9.0639 9.0639 9.3607 9.3607 9.8003 9.8003 10.5980 10.5980 10.7718 10.7718 12.0161 12.0161 12.7847 12.7847 12.9006 12.9006 15.1213 15.1213 15.7254 15.7254 15.9344 15.9344 18.0350 18.0350 18.8628 18.8628 k = 0.0897 0.1554-0.0000 ( 4141 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6627 -40.6627 -36.2794 -36.2794 -36.2406 -36.2406 -36.2193 -36.2193 -36.1451 -36.1451 1.1721 1.1721 4.1277 4.1277 7.1574 7.1574 7.8174 7.8174 8.0927 8.0927 8.1922 8.1922 8.9130 8.9130 9.0694 9.0694 9.3839 9.3839 9.7929 9.7929 10.6009 10.6009 10.7745 10.7745 12.1506 12.1506 12.8225 12.8225 12.9851 12.9851 15.1449 15.1449 15.7697 15.7697 15.9677 15.9677 17.9343 17.9343 18.8664 18.8664 k = 0.0833 0.1443-0.0000 ( 4137 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2405 -36.2405 -36.2193 -36.2193 -36.1451 -36.1451 1.1344 1.1344 4.1488 4.1488 7.1133 7.1133 7.8104 7.8104 8.0517 8.0517 8.1991 8.1991 8.9330 8.9330 9.0753 9.0753 9.4055 9.4055 9.7870 9.7870 10.6037 10.6037 10.7772 10.7772 12.2835 12.2835 12.8492 12.8492 13.0777 13.0777 15.1730 15.1730 15.8002 15.8002 16.0067 16.0067 17.8310 17.8310 18.8732 18.8732 k = 0.0769 0.1332-0.0000 ( 4141 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2404 -36.2404 -36.2192 -36.2192 -36.1451 -36.1451 1.0994 1.0994 4.1690 4.1690 7.0721 7.0721 7.8029 7.8029 8.0124 8.0124 8.2049 8.2049 8.9525 8.9525 9.0815 9.0815 9.4252 9.4252 9.7825 9.7825 10.6062 10.6062 10.7798 10.7798 12.4134 12.4134 12.8708 12.8708 13.1720 13.1720 15.2067 15.2067 15.8183 15.8183 16.0499 16.0499 17.7248 17.7248 18.8829 18.8829 k = 0.0705 0.1221-0.0000 ( 4137 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6626 -40.6626 -36.2794 -36.2794 -36.2403 -36.2403 -36.2192 -36.2192 -36.1451 -36.1451 1.0670 1.0670 4.1881 4.1881 7.0340 7.0340 7.7953 7.7953 7.9753 7.9753 8.2099 8.2099 8.9710 8.9710 9.0879 9.0879 9.4431 9.4431 9.7795 9.7795 10.6086 10.6086 10.7824 10.7824 12.5390 12.5390 12.8894 12.8894 13.2658 13.2658 15.2470 15.2470 15.8273 15.8273 16.0939 16.0939 17.6156 17.6156 18.8950 18.8950 k = 0.0641 0.1110-0.0000 ( 4133 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2402 -36.2402 -36.2191 -36.2191 -36.1451 -36.1451 1.0373 1.0373 4.2060 4.2060 6.9991 6.9991 7.7876 7.7876 7.9409 7.9409 8.2142 8.2142 8.9881 8.9881 9.0945 9.0945 9.4589 9.4589 9.7781 9.7781 10.6108 10.6108 10.7849 10.7849 12.6584 12.6584 12.9057 12.9057 13.3579 13.3579 15.2947 15.2947 15.8304 15.8304 16.1355 16.1355 17.5031 17.5031 18.9090 18.9090 k = 0.0577 0.0999-0.0000 ( 4137 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2402 -36.2402 -36.2191 -36.2191 -36.1451 -36.1451 1.0104 1.0104 4.2227 4.2227 6.9673 6.9673 7.7798 7.7798 7.9094 7.9094 8.2177 8.2177 9.0037 9.0037 9.1011 9.1011 9.4726 9.4726 9.7778 9.7778 10.6127 10.6127 10.7872 10.7872 12.7699 12.7699 12.9202 12.9202 13.4478 13.4478 15.3504 15.3504 15.8300 15.8300 16.1723 16.1723 17.3874 17.3874 18.9242 18.9242 k = 0.0513 0.0888-0.0000 ( 4127 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2401 -36.2401 -36.2190 -36.2190 -36.1450 -36.1450 0.9862 0.9862 4.2379 4.2379 6.9387 6.9387 7.7721 7.7721 7.8813 7.8813 8.2207 8.2207 9.0174 9.0174 9.1079 9.1079 9.4844 9.4844 9.7789 9.7789 10.6144 10.6144 10.7894 10.7894 12.8712 12.8712 12.9336 12.9336 13.5350 13.5350 15.4145 15.4145 15.8276 15.8276 16.2030 16.2030 17.2685 17.2685 18.9390 18.9390 k = 0.0449 0.0777-0.0000 ( 4127 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7038 -40.7038 -40.6625 -40.6625 -36.2794 -36.2794 -36.2400 -36.2400 -36.2190 -36.2190 -36.1450 -36.1450 0.9649 0.9649 4.2516 4.2516 6.9135 6.9135 7.7644 7.7644 7.8567 7.8567 8.2232 8.2232 9.0293 9.0293 9.1145 9.1145 9.4941 9.4941 9.7807 9.7807 10.6160 10.6160 10.7914 10.7914 12.9396 12.9396 12.9671 12.9671 13.6190 13.6190 15.4870 15.4870 15.8246 15.8246 16.2267 16.2267 17.1467 17.1467 18.9510 18.9510 k = 0.0385 0.0666-0.0000 ( 4119 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2400 -36.2400 -36.2189 -36.2189 -36.1450 -36.1450 0.9463 0.9463 4.2637 4.2637 6.8915 6.8915 7.7566 7.7566 7.8359 7.8359 8.2253 8.2253 9.0392 9.0392 9.1209 9.1209 9.5019 9.5019 9.7832 9.7832 10.6173 10.6173 10.7933 10.7933 12.9515 12.9515 13.0433 13.0433 13.6985 13.6985 15.5675 15.5675 15.8221 15.8221 16.2434 16.2434 17.0225 17.0225 18.9546 18.9546 k = 0.0321 0.0555-0.0000 ( 4117 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9305 0.9305 4.2741 4.2741 6.8728 6.8728 7.7490 7.7490 7.8191 7.8191 8.2269 8.2269 9.0473 9.0473 9.1268 9.1268 9.5081 9.5081 9.7860 9.7860 10.6184 10.6184 10.7949 10.7949 12.9597 12.9597 13.1090 13.1090 13.7719 13.7719 15.6544 15.6544 15.8219 15.8219 16.2532 16.2532 16.8967 16.8967 18.9342 18.9342 k = 0.0256 0.0444-0.0000 ( 4105 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9176 0.9176 4.2827 4.2827 6.8575 6.8575 7.7417 7.7417 7.8062 7.8062 8.2282 8.2282 9.0537 9.0537 9.1321 9.1321 9.5130 9.5130 9.7888 9.7888 10.6194 10.6194 10.7963 10.7963 12.9662 12.9662 13.1619 13.1619 13.8371 13.8371 15.7403 15.7403 15.8306 15.8306 16.2571 16.2571 16.7706 16.7706 18.8808 18.8808 k = 0.0192 0.0333-0.0000 ( 4105 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2189 -36.2189 -36.1450 -36.1450 0.9076 0.9076 4.2895 4.2895 6.8456 6.8456 7.7351 7.7351 7.7968 7.7968 8.2292 8.2292 9.0584 9.0584 9.1364 9.1364 9.5165 9.5165 9.7913 9.7913 10.6201 10.6201 10.7974 10.7974 12.9711 12.9711 13.2024 13.2024 13.8916 13.8916 15.7894 15.7894 15.8828 15.8828 16.2561 16.2561 16.6460 16.6460 18.8228 18.8228 k = 0.0128 0.0222-0.0000 ( 4101 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2399 -36.2399 -36.2188 -36.2188 -36.1450 -36.1450 0.9004 0.9004 4.2944 4.2944 6.8371 6.8371 7.7299 7.7299 7.7906 7.7906 8.2299 8.2299 9.0618 9.0618 9.1396 9.1396 9.5189 9.5189 9.7932 9.7932 10.6206 10.6206 10.7982 10.7982 12.9747 12.9747 13.2308 13.2308 13.9327 13.9327 15.7991 15.7991 15.9784 15.9784 16.2506 16.2506 16.5273 16.5273 18.7775 18.7775 k = 0.0064 0.0111-0.0000 ( 4089 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2398 -36.2398 -36.2188 -36.2188 -36.1450 -36.1450 0.8961 0.8961 4.2974 4.2974 6.8320 6.8320 7.7266 7.7266 7.7871 7.7871 8.2304 8.2304 9.0637 9.0637 9.1416 9.1416 9.5203 9.5203 9.7945 9.7945 10.6210 10.6210 10.7987 10.7987 12.9768 12.9768 13.2476 13.2476 13.9584 13.9584 15.8015 15.8015 16.0786 16.0786 16.2366 16.2366 16.4266 16.4266 18.7494 18.7494 k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2398 -36.2398 -36.2188 -36.2188 -36.1450 -36.1450 0.8947 0.8947 4.2984 4.2984 6.8303 6.8303 7.7255 7.7255 7.7859 7.7859 8.2305 8.2305 9.0644 9.0644 9.1423 9.1423 9.5207 9.5207 9.7949 9.7949 10.6212 10.6212 10.7990 10.7990 12.9775 12.9775 13.2532 13.2532 13.9672 13.9672 15.8021 15.8021 16.1426 16.1426 16.2130 16.2130 16.3816 16.3816 18.7400 18.7400 k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2794 -36.2794 -36.2398 -36.2398 -36.2188 -36.2188 -36.1450 -36.1450 0.8947 0.8947 4.2984 4.2984 6.8303 6.8303 7.7255 7.7255 7.7859 7.7859 8.2305 8.2305 9.0644 9.0644 9.1423 9.1423 9.5207 9.5207 9.7949 9.7949 10.6212 10.6212 10.7990 10.7990 12.9775 12.9775 13.2532 13.2532 13.9672 13.9672 15.8021 15.8021 16.1426 16.1426 16.2130 16.2130 16.3816 16.3816 18.7400 18.7400 k = 0.0000 0.0000 0.0126 ( 4099 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7037 -40.7037 -40.6624 -40.6624 -36.2793 -36.2793 -36.2398 -36.2398 -36.2188 -36.2188 -36.1451 -36.1451 0.8961 0.8961 4.2912 4.2912 6.8384 6.8384 7.7266 7.7266 7.7869 7.7869 8.2318 8.2318 9.0649 9.0649 9.1431 9.1431 9.5196 9.5196 9.7928 9.7928 10.6186 10.6186 10.7962 10.7962 12.9741 12.9741 13.2571 13.2571 13.9708 13.9708 15.7931 15.7931 16.1415 16.1415 16.2169 16.2169 16.3809 16.3809 18.7462 18.7462 k = 0.0000 0.0000 0.0251 ( 4099 PWs) bands (ev): -71.8521 -71.8521 -71.8367 -71.8367 -40.7036 -40.7036 -40.6625 -40.6625 -36.2791 -36.2791 -36.2398 -36.2398 -36.2189 -36.2189 -36.1454 -36.1454 0.9003 0.9003 4.2698 4.2698 6.8626 6.8626 7.7299 7.7299 7.7899 7.7899 8.2360 8.2360 9.0665 9.0665 9.1454 9.1454 9.5161 9.5161 9.7865 9.7865 10.6114 10.6114 10.7886 10.7886 12.9639 12.9639 13.2689 13.2689 13.9818 13.9818 15.7667 15.7667 16.1385 16.1385 16.2287 16.2287 16.3789 16.3789 18.7647 18.7647 k = 0.0000 0.0000 0.0377 ( 4099 PWs) bands (ev): -71.8520 -71.8520 -71.8368 -71.8368 -40.7034 -40.7034 -40.6626 -40.6626 -36.2786 -36.2786 -36.2397 -36.2397 -36.2190 -36.2190 -36.1459 -36.1459 0.9073 0.9073 4.2352 4.2352 6.9020 6.9020 7.7355 7.7355 7.7949 7.7949 8.2431 8.2431 9.0691 9.0691 9.1494 9.1494 9.5104 9.5104 9.7760 9.7760 10.5997 10.5997 10.7760 10.7760 12.9471 12.9471 13.2884 13.2884 13.9999 13.9999 15.7235 15.7235 16.1335 16.1335 16.2480 16.2480 16.3756 16.3756 18.7944 18.7944 k = 0.0000 0.0000 0.0503 ( 4099 PWs) bands (ev): -71.8520 -71.8520 -71.8368 -71.8368 -40.7032 -40.7032 -40.6628 -40.6628 -36.2779 -36.2779 -36.2396 -36.2396 -36.2191 -36.2191 -36.1466 -36.1466 0.9171 0.9171 4.1886 4.1886 6.9551 6.9551 7.7433 7.7433 7.8019 7.8019 8.2530 8.2530 9.0727 9.0727 9.1549 9.1549 9.5025 9.5025 9.7613 9.7613 10.5837 10.5837 10.7587 10.7587 12.9240 12.9240 13.3150 13.3150 14.0249 14.0249 15.6651 15.6651 16.1267 16.1267 16.2746 16.2746 16.3710 16.3710 18.8334 18.8334 k = 0.0000 0.0000 0.0629 ( 4105 PWs) bands (ev): -71.8519 -71.8519 -71.8369 -71.8369 -40.7029 -40.7029 -40.6631 -40.6631 -36.2771 -36.2771 -36.2395 -36.2395 -36.2192 -36.2192 -36.1475 -36.1475 0.9298 0.9298 4.1315 4.1315 7.0204 7.0204 7.7533 7.7533 7.8108 7.8108 8.2656 8.2656 9.0771 9.0771 9.1619 9.1619 9.4926 9.4926 9.7426 9.7426 10.5638 10.5638 10.7369 10.7369 12.8952 12.8952 13.3484 13.3484 14.0565 14.0565 15.5930 15.5930 16.1179 16.1179 16.3082 16.3082 16.3650 16.3650 18.8789 18.8789 k = 0.0000 0.0000 0.0754 ( 4105 PWs) bands (ev): -71.8518 -71.8518 -71.8371 -71.8371 -40.7026 -40.7026 -40.6634 -40.6634 -36.2760 -36.2760 -36.2393 -36.2393 -36.2194 -36.2194 -36.1486 -36.1486 0.9452 0.9452 4.0654 4.0654 7.0962 7.0962 7.7656 7.7656 7.8218 7.8218 8.2809 8.2809 9.0822 9.0822 9.1705 9.1705 9.4808 9.4808 9.7198 9.7198 10.5405 10.5405 10.7111 10.7111 12.8612 12.8612 13.3878 13.3878 14.0942 14.0942 15.5090 15.5090 16.1072 16.1072 16.3486 16.3486 16.3576 16.3576 18.9260 18.9260 k = 0.0000 0.0000 0.0880 ( 4118 PWs) bands (ev): -71.8516 -71.8516 -71.8372 -71.8372 -40.7022 -40.7022 -40.6638 -40.6638 -36.2748 -36.2748 -36.2391 -36.2391 -36.2196 -36.2196 -36.1499 -36.1499 0.9634 0.9634 3.9919 3.9919 7.1807 7.1807 7.7801 7.7801 7.8346 7.8346 8.2988 8.2988 9.0875 9.0875 9.1805 9.1805 9.4676 9.4676 9.6931 9.6931 10.5143 10.5143 10.6817 10.6817 12.8224 12.8224 13.4326 13.4326 14.1377 14.1377 15.4150 15.4150 16.0945 16.0945 16.3488 16.3488 16.3953 16.3953 18.9641 18.9641 k = 0.0000 0.0000 0.1006 ( 4130 PWs) bands (ev): -71.8514 -71.8514 -71.8374 -71.8374 -40.7017 -40.7017 -40.6642 -40.6642 -36.2734 -36.2734 -36.2389 -36.2389 -36.2198 -36.2198 -36.1514 -36.1514 0.9844 0.9844 3.9123 3.9123 7.2724 7.2724 7.7970 7.7970 7.8494 7.8494 8.3192 8.3192 9.0930 9.0930 9.1922 9.1922 9.4531 9.4531 9.6625 9.6625 10.4856 10.4856 10.6490 10.6490 12.7799 12.7799 13.4820 13.4820 14.1864 14.1864 15.3129 15.3129 16.0797 16.0797 16.3384 16.3384 16.4480 16.4480 18.9865 18.9865 k = 0.0000 0.0000 0.1131 ( 4130 PWs) bands (ev): -71.8513 -71.8513 -71.8376 -71.8376 -40.7012 -40.7012 -40.6647 -40.6647 -36.2718 -36.2718 -36.2386 -36.2386 -36.2201 -36.2201 -36.1530 -36.1530 1.0081 1.0081 3.8279 3.8279 7.3696 7.3696 7.8163 7.8163 7.8661 7.8661 8.3420 8.3420 9.0981 9.0981 9.2053 9.2053 9.4381 9.4381 9.6284 9.6284 10.4549 10.4549 10.6134 10.6134 12.7343 12.7343 13.5348 13.5348 14.2399 14.2399 15.2044 15.2044 16.0627 16.0627 16.3265 16.3265 16.5063 16.5063 19.0003 19.0003 k = 0.0000 0.0000 0.1257 ( 4142 PWs) bands (ev): -71.8511 -71.8511 -71.8378 -71.8378 -40.7007 -40.7007 -40.6653 -40.6653 -36.2701 -36.2701 -36.2383 -36.2383 -36.2204 -36.2204 -36.1549 -36.1549 1.0347 1.0347 3.7398 3.7398 7.4707 7.4707 7.8382 7.8382 7.8847 7.8847 8.3672 8.3672 9.1020 9.1020 9.2200 9.2200 9.4232 9.4232 9.5908 9.5908 10.4225 10.4225 10.5754 10.5754 12.6864 12.6864 13.5901 13.5901 14.2977 14.2977 15.0915 15.0915 16.0436 16.0436 16.3129 16.3129 16.5700 16.5700 19.0116 19.0116 k = 0.0000 0.0000 0.1383 ( 4136 PWs) bands (ev): -71.8508 -71.8508 -71.8380 -71.8380 -40.7001 -40.7001 -40.6658 -40.6658 -36.2682 -36.2682 -36.2380 -36.2380 -36.2207 -36.2207 -36.1569 -36.1569 1.0639 1.0639 3.6489 3.6489 7.5741 7.5741 7.8630 7.8630 7.9052 7.9052 8.3945 8.3945 9.1040 9.1040 9.2361 9.2361 9.4096 9.4096 9.5501 9.5501 10.3889 10.3889 10.5354 10.5354 12.6371 12.6371 13.6463 13.6463 14.3592 14.3592 14.9762 14.9762 16.0223 16.0223 16.2977 16.2977 16.6386 16.6386 19.0228 19.0228 k = 0.0000 0.0000 0.1509 ( 4142 PWs) bands (ev): -71.8506 -71.8506 -71.8383 -71.8383 -40.6994 -40.6994 -40.6665 -40.6665 -36.2661 -36.2661 -36.2377 -36.2377 -36.2210 -36.2210 -36.1590 -36.1590 1.0959 1.0959 3.5560 3.5560 7.6777 7.6777 7.8918 7.8918 7.9275 7.9275 8.4239 8.4239 9.1029 9.1029 9.2538 9.2538 9.3983 9.3983 9.5064 9.5064 10.3542 10.3542 10.4936 10.4936 12.5870 12.5870 13.7015 13.7015 14.4239 14.4239 14.8612 14.8612 15.9986 15.9986 16.2806 16.2806 16.7119 16.7119 19.0346 19.0346 k = 0.0000 0.0000 0.1634 ( 4142 PWs) bands (ev): -71.8503 -71.8503 -71.8386 -71.8386 -40.6987 -40.6987 -40.6672 -40.6672 -36.2638 -36.2638 -36.2374 -36.2374 -36.2214 -36.2214 -36.1614 -36.1614 1.1307 1.1307 3.4617 3.4617 7.7778 7.7778 7.9272 7.9272 7.9516 7.9516 8.4549 8.4549 9.0975 9.0975 9.2729 9.2729 9.3906 9.3906 9.4601 9.4601 10.3188 10.3188 10.4506 10.4506 12.5374 12.5374 13.7525 13.7525 14.4915 14.4915 14.7497 14.7497 15.9725 15.9725 16.2616 16.2616 16.7897 16.7897 19.0475 19.0475 k = 0.0000 0.0000 0.1760 ( 4142 PWs) bands (ev): -71.8500 -71.8500 -71.8388 -71.8388 -40.6979 -40.6979 -40.6679 -40.6679 -36.2615 -36.2615 -36.2370 -36.2370 -36.2217 -36.2217 -36.1638 -36.1638 1.1681 1.1681 3.3665 3.3665 7.8654 7.8654 7.9770 7.9770 7.9774 7.9774 8.4875 8.4875 9.0869 9.0869 9.2934 9.2934 9.3875 9.3875 9.4114 9.4114 10.2829 10.2829 10.4065 10.4065 12.4890 12.4890 13.7947 13.7947 14.5613 14.5613 14.6469 14.6469 15.9440 15.9440 16.2407 16.2407 16.8717 16.8717 19.0617 19.0617 k = 0.0000 0.0000 0.1886 ( 4142 PWs) bands (ev): -71.8497 -71.8497 -71.8391 -71.8391 -40.6971 -40.6971 -40.6687 -40.6687 -36.2589 -36.2589 -36.2366 -36.2366 -36.2221 -36.2221 -36.1665 -36.1665 1.2082 1.2082 3.2710 3.2710 7.9288 7.9288 8.0050 8.0050 8.0517 8.0517 8.5213 8.5213 9.0707 9.0707 9.3154 9.3154 9.3607 9.3607 9.3897 9.3897 10.2466 10.2466 10.3617 10.3617 12.4428 12.4428 13.8206 13.8206 14.5606 14.5606 14.6331 14.6331 15.9130 15.9130 16.2176 16.2176 16.9577 16.9577 19.0774 19.0774 k = 0.0000 0.0000 0.2011 ( 4130 PWs) bands (ev): -71.8494 -71.8494 -71.8394 -71.8394 -40.6962 -40.6962 -40.6695 -40.6695 -36.2563 -36.2563 -36.2361 -36.2361 -36.2226 -36.2226 -36.1692 -36.1692 1.2510 1.2510 3.1755 3.1755 7.9748 7.9748 8.0342 8.0342 8.1437 8.1437 8.5561 8.5561 9.0489 9.0489 9.3082 9.3082 9.3388 9.3388 9.3970 9.3970 10.2103 10.2103 10.3166 10.3166 12.3997 12.3997 13.8202 13.8202 14.5012 14.5012 14.7064 14.7064 15.8794 15.8794 16.1924 16.1924 17.0476 17.0476 19.0949 19.0949 k = 0.0000 0.0000 0.2137 ( 4136 PWs) bands (ev): -71.8491 -71.8491 -71.8398 -71.8398 -40.6954 -40.6954 -40.6703 -40.6703 -36.2535 -36.2535 -36.2357 -36.2357 -36.2230 -36.2230 -36.1721 -36.1721 1.2964 1.2964 3.0803 3.0803 8.0151 8.0151 8.0650 8.0650 8.2400 8.2400 8.5916 8.5916 9.0222 9.0222 9.2543 9.2543 9.3635 9.3635 9.4091 9.4091 10.1736 10.1736 10.2711 10.2711 12.3609 12.3609 13.7856 13.7856 14.4767 14.4767 14.7806 14.7806 15.8432 15.8432 16.1649 16.1649 17.1411 17.1411 19.1141 19.1141 k = 0.0000 0.0000 0.2263 ( 4136 PWs) bands (ev): -71.8487 -71.8487 -71.8401 -71.8401 -40.6944 -40.6944 -40.6712 -40.6712 -36.2506 -36.2506 -36.2352 -36.2352 -36.2235 -36.2235 -36.1751 -36.1751 1.3445 1.3445 2.9857 2.9857 8.0545 8.0545 8.0974 8.0974 8.3349 8.3349 8.6273 8.6273 8.9913 8.9913 9.1993 9.1993 9.3897 9.3897 9.4253 9.4253 10.1368 10.1368 10.2255 10.2255 12.3273 12.3273 13.7178 13.7178 14.4864 14.4864 14.8556 14.8556 15.8042 15.8042 16.1351 16.1351 17.2383 17.2383 19.1354 19.1354 k = 0.0000 0.0000 0.2389 ( 4136 PWs) bands (ev): -71.8484 -71.8484 -71.8405 -71.8405 -40.6935 -40.6935 -40.6721 -40.6721 -36.2476 -36.2476 -36.2348 -36.2348 -36.2240 -36.2240 -36.1782 -36.1782 1.3951 1.3951 2.8920 2.8920 8.0944 8.0944 8.1312 8.1312 8.4258 8.4258 8.6627 8.6627 8.9570 8.9570 9.1436 9.1436 9.4171 9.4171 9.4449 9.4449 10.1000 10.1000 10.1800 10.1800 12.3001 12.3001 13.6259 13.6259 14.5217 14.5217 14.9308 14.9308 15.7626 15.7626 16.1027 16.1027 17.3389 17.3389 19.1588 19.1588 k = 0.0000 0.0000 0.2514 ( 4154 PWs) bands (ev): -71.8480 -71.8480 -71.8408 -71.8408 -40.6925 -40.6925 -40.6731 -40.6731 -36.2444 -36.2444 -36.2343 -36.2343 -36.2245 -36.2245 -36.1814 -36.1814 1.4483 1.4483 2.7994 2.7994 8.1354 8.1354 8.1665 8.1665 8.5110 8.5110 8.6972 8.6972 8.9200 8.9200 9.0874 9.0874 9.4457 9.4457 9.4674 9.4674 10.0633 10.0633 10.1346 10.1346 12.2802 12.2802 13.5194 13.5194 14.5733 14.5733 15.0060 15.0060 15.7182 15.7182 16.0678 16.0678 17.4429 17.4429 19.1843 19.1843 k = 0.0000 0.0000 0.2640 ( 4178 PWs) bands (ev): -71.8477 -71.8477 -71.8412 -71.8412 -40.6915 -40.6915 -40.6741 -40.6741 -36.2412 -36.2412 -36.2338 -36.2338 -36.2250 -36.2250 -36.1847 -36.1847 1.5041 1.5041 2.7081 2.7081 8.1778 8.1778 8.2030 8.2030 8.5895 8.5895 8.7301 8.7301 8.8808 8.8808 9.0314 9.0314 9.4755 9.4755 9.4924 9.4924 10.0265 10.0265 10.0896 10.0896 12.2688 12.2688 13.4054 13.4054 14.6345 14.6345 15.0808 15.0808 15.6709 15.6709 16.0302 16.0302 17.5502 17.5502 19.2119 19.2119 k = 0.0000 0.0000 0.2766 ( 4178 PWs) bands (ev): -71.8473 -71.8473 -71.8416 -71.8416 -40.6904 -40.6904 -40.6751 -40.6751 -36.2379 -36.2379 -36.2333 -36.2333 -36.2255 -36.2255 -36.1881 -36.1881 1.5624 1.5624 2.6181 2.6181 8.2216 8.2216 8.2409 8.2409 8.6601 8.6601 8.7603 8.7603 8.8400 8.8400 8.9765 8.9765 9.5064 9.5064 9.5196 9.5196 9.9900 9.9900 10.0452 10.0452 12.2669 12.2669 13.2882 13.2882 14.7015 14.7015 15.1549 15.1549 15.6210 15.6210 15.9900 15.9900 17.6607 17.6607 19.2407 19.2407 k = 0.0000 0.0000 0.2891 ( 4178 PWs) bands (ev): -71.8469 -71.8469 -71.8420 -71.8420 -40.6894 -40.6894 -40.6762 -40.6762 -36.2345 -36.2345 -36.2327 -36.2327 -36.2260 -36.2260 -36.1916 -36.1916 1.6231 1.6231 2.5297 2.5297 8.2669 8.2669 8.2799 8.2799 8.7222 8.7222 8.7846 8.7846 8.7978 8.7978 8.9250 8.9250 9.5383 9.5383 9.5487 9.5487 9.9537 9.9537 10.0014 10.0014 12.2752 12.2752 13.1708 13.1708 14.7717 14.7717 15.2280 15.2280 15.5683 15.5683 15.9470 15.9470 17.7743 17.7743 19.2409 19.2409 k = 0.0000 0.0000 0.3017 ( 4184 PWs) bands (ev): -71.8465 -71.8465 -71.8424 -71.8424 -40.6883 -40.6883 -40.6772 -40.6772 -36.2322 -36.2322 -36.2311 -36.2311 -36.2266 -36.2266 -36.1951 -36.1951 1.6863 1.6863 2.4430 2.4430 8.3136 8.3136 8.3202 8.3202 8.7547 8.7547 8.7751 8.7751 8.7939 8.7939 8.8860 8.8860 9.5709 9.5709 9.5796 9.5796 9.9177 9.9177 9.9582 9.9582 12.2944 12.2944 13.0554 13.0554 14.8435 14.8435 15.2997 15.2997 15.5130 15.5130 15.9013 15.9013 17.8909 17.8909 19.1398 19.1398 k = 0.0000 0.0000 0.3143 ( 4196 PWs) bands (ev): -71.8461 -71.8461 -71.8428 -71.8428 -40.6872 -40.6872 -40.6783 -40.6783 -36.2316 -36.2316 -36.2276 -36.2276 -36.2271 -36.2271 -36.1986 -36.1986 1.7520 1.7520 2.3580 2.3580 8.3613 8.3613 8.3616 8.3616 8.7108 8.7108 8.7700 8.7700 8.8186 8.8186 8.8766 8.8766 9.6041 9.6041 9.6119 9.6119 9.8818 9.8818 9.9158 9.9158 12.3249 12.3249 12.9436 12.9436 14.9160 14.9160 15.3700 15.3700 15.4550 15.4550 15.8528 15.8528 18.0103 18.0103 19.0214 19.0214 k = 0.0000 0.0000 0.3269 ( 4208 PWs) bands (ev): -71.8457 -71.8457 -71.8432 -71.8432 -40.6861 -40.6861 -40.6794 -40.6794 -36.2311 -36.2311 -36.2277 -36.2277 -36.2240 -36.2240 -36.2022 -36.2022 1.8200 1.8200 2.2749 2.2749 8.4033 8.4033 8.4110 8.4110 8.6666 8.6666 8.7239 8.7239 8.8527 8.8527 8.8852 8.8852 9.6378 9.6378 9.6458 9.6458 9.8461 9.8461 9.8742 9.8742 12.3669 12.3669 12.8369 12.8369 14.9883 14.9883 15.3945 15.3945 15.4384 15.4384 15.8014 15.8014 18.1323 18.1323 18.8969 18.8969 k = 0.0000 0.0000 0.3394 ( 4208 PWs) bands (ev): -71.8453 -71.8453 -71.8437 -71.8437 -40.6850 -40.6850 -40.6805 -40.6805 -36.2305 -36.2305 -36.2282 -36.2282 -36.2204 -36.2204 -36.2059 -36.2059 1.8903 1.8903 2.1938 2.1938 8.4461 8.4461 8.4616 8.4616 8.6222 8.6222 8.6720 8.6720 8.8775 8.8775 8.8953 8.8953 9.6719 9.6719 9.6810 9.6810 9.8108 9.8108 9.8335 9.8335 12.4202 12.4202 12.7364 12.7364 15.0599 15.0599 15.3316 15.3316 15.5049 15.5049 15.7473 15.7473 18.2568 18.2568 18.7692 18.7692 k = 0.0000 0.0000 0.3520 ( 4208 PWs) bands (ev): -71.8449 -71.8449 -71.8441 -71.8441 -40.6839 -40.6839 -40.6816 -40.6816 -36.2299 -36.2299 -36.2288 -36.2288 -36.2168 -36.2168 -36.2095 -36.2095 1.9629 1.9629 2.1147 2.1147 8.4895 8.4895 8.5132 8.5132 8.5777 8.5777 8.6188 8.6188 8.8934 8.8934 8.9012 8.9012 9.7063 9.7063 9.7174 9.7174 9.7757 9.7757 9.7937 9.7937 12.4846 12.4846 12.6436 12.6436 15.1304 15.1304 15.2665 15.2665 15.5692 15.5692 15.6905 15.6905 18.3832 18.3832 18.6402 18.6402 k = 0.0000 0.0000 0.3646 ( 4214 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0377 2.0377 2.0377 2.0377 8.5335 8.5335 8.5335 8.5335 8.5657 8.5657 8.5657 8.5657 8.9009 8.9009 8.9009 8.9009 9.7409 9.7409 9.7409 9.7409 9.7550 9.7550 9.7550 9.7550 12.5593 12.5593 12.5593 12.5593 15.1994 15.1994 15.1994 15.1994 15.6311 15.6311 15.6311 15.6311 18.5112 18.5112 18.5112 18.5112 k = 0.0000 0.0000 0.3646 ( 4214 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0377 2.0377 2.0377 2.0377 8.5335 8.5335 8.5335 8.5335 8.5657 8.5657 8.5657 8.5657 8.9009 8.9009 8.9009 8.9009 9.7409 9.7409 9.7409 9.7409 9.7550 9.7550 9.7550 9.7550 12.5593 12.5593 12.5593 12.5593 15.1994 15.1994 15.1994 15.1994 15.6311 15.6311 15.6311 15.6311 18.5112 18.5112 18.5112 18.5112 k = 0.0111 0.0064 0.3646 ( 4208 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2131 -36.2131 -36.2131 -36.2131 2.0388 2.0388 2.0388 2.0388 8.5316 8.5316 8.5316 8.5316 8.5641 8.5641 8.5641 8.5641 8.9031 8.9031 8.9031 8.9031 9.7396 9.7396 9.7396 9.7396 9.7562 9.7562 9.7562 9.7562 12.5612 12.5612 12.5612 12.5612 15.1933 15.1933 15.1933 15.1933 15.6242 15.6242 15.6242 15.6242 18.5192 18.5192 18.5192 18.5192 k = 0.0222 0.0128 0.3646 ( 4210 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2131 -36.2131 -36.2131 -36.2131 2.0422 2.0422 2.0422 2.0422 8.5250 8.5250 8.5250 8.5250 8.5605 8.5605 8.5605 8.5605 8.9092 8.9092 8.9092 8.9092 9.7364 9.7364 9.7364 9.7364 9.7589 9.7589 9.7589 9.7589 12.5670 12.5670 12.5670 12.5670 15.1750 15.1750 15.1750 15.1750 15.6041 15.6041 15.6041 15.6041 18.5423 18.5423 18.5423 18.5423 k = 0.0333 0.0192 0.3646 ( 4204 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0478 2.0478 2.0478 2.0478 8.5117 8.5117 8.5117 8.5117 8.5577 8.5577 8.5577 8.5577 8.9185 8.9185 8.9185 8.9185 9.7324 9.7324 9.7324 9.7324 9.7623 9.7623 9.7623 9.7623 12.5764 12.5764 12.5764 12.5764 15.1443 15.1443 15.1443 15.1443 15.5722 15.5722 15.5722 15.5722 18.5789 18.5789 18.5789 18.5789 k = 0.0444 0.0257 0.3646 ( 4196 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0557 2.0557 2.0557 2.0557 8.4916 8.4916 8.4916 8.4916 8.5567 8.5567 8.5567 8.5567 8.9304 8.9304 8.9304 8.9304 9.7279 9.7279 9.7279 9.7279 9.7659 9.7659 9.7659 9.7659 12.5894 12.5894 12.5894 12.5894 15.1008 15.1008 15.1008 15.1008 15.5309 15.5309 15.5309 15.5309 18.6259 18.6259 18.6259 18.6259 k = 0.0556 0.0321 0.3646 ( 4188 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2131 -36.2131 -36.2131 -36.2131 2.0657 2.0657 2.0657 2.0657 8.4659 8.4659 8.4659 8.4659 8.5570 8.5570 8.5570 8.5570 8.9438 8.9438 8.9439 8.9439 9.7231 9.7231 9.7231 9.7231 9.7695 9.7695 9.7695 9.7695 12.6055 12.6055 12.6055 12.6055 15.0444 15.0444 15.0444 15.0444 15.4827 15.4827 15.4827 15.4827 18.6782 18.6782 18.6782 18.6782 k = 0.0667 0.0385 0.3646 ( 4188 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2132 -36.2132 -36.2132 -36.2132 2.0780 2.0780 2.0780 2.0780 8.4360 8.4360 8.4360 8.4360 8.5582 8.5582 8.5582 8.5582 8.9583 8.9583 8.9583 8.9583 9.7180 9.7180 9.7180 9.7180 9.7731 9.7731 9.7731 9.7731 12.6244 12.6244 12.6244 12.6244 14.9755 14.9755 14.9755 14.9755 15.4297 15.4297 15.4297 15.4297 18.7267 18.7267 18.7267 18.7267 k = 0.0778 0.0449 0.3646 ( 4184 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2132 -36.2132 -36.2132 -36.2132 2.0924 2.0924 2.0924 2.0924 8.4028 8.4028 8.4028 8.4028 8.5599 8.5599 8.5599 8.5599 8.9732 8.9732 8.9732 8.9732 9.7128 9.7128 9.7128 9.7128 9.7768 9.7768 9.7768 9.7768 12.6456 12.6456 12.6456 12.6456 14.8952 14.8952 14.8952 14.8952 15.3737 15.3737 15.3737 15.3737 18.7572 18.7572 18.7572 18.7572 k = 0.0889 0.0513 0.3646 ( 4174 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2296 -36.2296 -36.2296 -36.2296 -36.2132 -36.2132 -36.2132 -36.2132 2.1089 2.1089 2.1089 2.1089 8.3669 8.3669 8.3669 8.3669 8.5621 8.5621 8.5621 8.5621 8.9883 8.9883 8.9883 8.9883 9.7074 9.7074 9.7074 9.7074 9.7805 9.7805 9.7805 9.7805 12.6684 12.6684 12.6684 12.6684 14.8050 14.8050 14.8050 14.8050 15.3159 15.3159 15.3159 15.3159 18.7546 18.7546 18.7546 18.7546 k = 0.1000 0.0577 0.3646 ( 4178 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2296 -36.2296 -36.2296 -36.2296 -36.2132 -36.2132 -36.2132 -36.2132 2.1275 2.1275 2.1275 2.1275 8.3288 8.3288 8.3288 8.3288 8.5645 8.5645 8.5645 8.5645 9.0033 9.0033 9.0033 9.0033 9.7018 9.7018 9.7018 9.7018 9.7842 9.7842 9.7842 9.7842 12.6919 12.6919 12.6919 12.6919 14.7072 14.7072 14.7072 14.7072 15.2569 15.2569 15.2569 15.2569 18.7179 18.7179 18.7179 18.7179 k = 0.1111 0.0642 0.3646 ( 4182 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2297 -36.2297 -36.2297 -36.2297 -36.2132 -36.2132 -36.2132 -36.2132 2.1482 2.1482 2.1482 2.1482 8.2888 8.2888 8.2888 8.2888 8.5673 8.5673 8.5673 8.5673 9.0179 9.0179 9.0179 9.0179 9.6961 9.6961 9.6961 9.6961 9.7881 9.7881 9.7881 9.7881 12.7150 12.7150 12.7150 12.7150 14.6043 14.6043 14.6043 14.6043 15.1968 15.1968 15.1968 15.1968 18.6598 18.6598 18.6598 18.6598 k = 0.1222 0.0706 0.3646 ( 4174 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6828 -40.6828 -40.6828 -40.6828 -36.2298 -36.2298 -36.2298 -36.2298 -36.2132 -36.2132 -36.2132 -36.2132 2.1709 2.1709 2.1709 2.1709 8.2474 8.2474 8.2474 8.2474 8.5703 8.5703 8.5703 8.5703 9.0321 9.0321 9.0321 9.0321 9.6904 9.6904 9.6904 9.6904 9.7922 9.7922 9.7922 9.7922 12.7365 12.7365 12.7365 12.7365 14.4993 14.4993 14.4993 14.4993 15.1359 15.1359 15.1359 15.1359 18.5917 18.5917 18.5917 18.5917 k = 0.1333 0.0770 0.3646 ( 4180 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2298 -36.2298 -36.2298 -36.2298 -36.2132 -36.2132 -36.2132 -36.2132 2.1955 2.1955 2.1955 2.1955 8.2047 8.2047 8.2047 8.2047 8.5733 8.5733 8.5733 8.5733 9.0459 9.0459 9.0459 9.0459 9.6847 9.6847 9.6847 9.6847 9.7963 9.7963 9.7963 9.7963 12.7545 12.7545 12.7545 12.7545 14.3949 14.3949 14.3949 14.3949 15.0741 15.0741 15.0741 15.0741 18.5201 18.5201 18.5201 18.5201 k = 0.1444 0.0834 0.3646 ( 4174 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2299 -36.2299 -36.2299 -36.2299 -36.2132 -36.2132 -36.2132 -36.2132 2.2220 2.2220 2.2220 2.2220 8.1611 8.1611 8.1611 8.1611 8.5766 8.5766 8.5766 8.5766 9.0592 9.0592 9.0592 9.0592 9.6789 9.6789 9.6789 9.6789 9.8008 9.8008 9.8008 9.8008 12.7669 12.7669 12.7669 12.7669 14.2946 14.2946 14.2946 14.2946 15.0116 15.0116 15.0116 15.0116 18.4484 18.4484 18.4484 18.4484 k = 0.1556 0.0898 0.3646 ( 4174 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2300 -36.2300 -36.2300 -36.2300 -36.2132 -36.2132 -36.2132 -36.2132 2.2502 2.2502 2.2502 2.2502 8.1167 8.1167 8.1167 8.1167 8.5798 8.5798 8.5798 8.5798 9.0719 9.0719 9.0719 9.0719 9.6732 9.6732 9.6732 9.6732 9.8055 9.8055 9.8055 9.8055 12.7710 12.7710 12.7710 12.7710 14.2019 14.2019 14.2019 14.2019 14.9486 14.9486 14.9486 14.9486 18.3782 18.3782 18.3782 18.3782 k = 0.1667 0.0962 0.3646 ( 4172 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2301 -36.2301 -36.2301 -36.2301 -36.2132 -36.2132 -36.2132 -36.2132 2.2803 2.2803 2.2803 2.2803 8.0718 8.0718 8.0718 8.0718 8.5832 8.5832 8.5832 8.5832 9.0840 9.0840 9.0840 9.0840 9.6676 9.6676 9.6676 9.6676 9.8106 9.8106 9.8106 9.8106 12.7638 12.7638 12.7638 12.7638 14.1202 14.1202 14.1202 14.1202 14.8852 14.8852 14.8852 14.8852 18.3105 18.3105 18.3105 18.3105 k = 0.1778 0.1026 0.3646 ( 4168 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2301 -36.2301 -36.2301 -36.2301 -36.2132 -36.2132 -36.2132 -36.2132 2.3119 2.3119 2.3119 2.3119 8.0265 8.0265 8.0265 8.0265 8.5865 8.5865 8.5865 8.5865 9.0955 9.0955 9.0955 9.0955 9.6622 9.6622 9.6622 9.6622 9.8160 9.8160 9.8160 9.8160 12.7426 12.7426 12.7426 12.7426 14.0532 14.0532 14.0532 14.0532 14.8218 14.8218 14.8218 14.8218 18.2457 18.2457 18.2457 18.2457 k = 0.1889 0.1091 0.3646 ( 4180 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2302 -36.2302 -36.2302 -36.2302 -36.2132 -36.2132 -36.2132 -36.2132 2.3451 2.3451 2.3451 2.3451 7.9809 7.9809 7.9809 7.9809 8.5897 8.5897 8.5897 8.5897 9.1064 9.1064 9.1064 9.1064 9.6569 9.6569 9.6569 9.6569 9.8218 9.8218 9.8218 9.8218 12.7051 12.7051 12.7051 12.7051 14.0032 14.0032 14.0032 14.0032 14.7585 14.7585 14.7585 14.7585 18.1841 18.1841 18.1841 18.1841 k = 0.2000 0.1155 0.3646 ( 4168 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2303 -36.2303 -36.2303 -36.2303 -36.2132 -36.2132 -36.2132 -36.2132 2.3797 2.3797 2.3797 2.3797 7.9353 7.9353 7.9353 7.9353 8.5929 8.5929 8.5929 8.5929 9.1167 9.1167 9.1167 9.1167 9.6520 9.6520 9.6520 9.6520 9.8281 9.8281 9.8281 9.8281 12.6506 12.6506 12.6506 12.6506 13.9714 13.9714 13.9714 13.9714 14.6958 14.6958 14.6958 14.6958 18.1258 18.1258 18.1258 18.1258 k = 0.2111 0.1219 0.3646 ( 4168 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2304 -36.2304 -36.2304 -36.2304 -36.2132 -36.2132 -36.2132 -36.2132 2.4157 2.4157 2.4157 2.4157 7.8898 7.8898 7.8898 7.8898 8.5960 8.5960 8.5960 8.5960 9.1262 9.1262 9.1262 9.1262 9.6475 9.6475 9.6475 9.6475 9.8349 9.8349 9.8349 9.8349 12.5798 12.5798 12.5798 12.5798 13.9569 13.9569 13.9569 13.9569 14.6342 14.6342 14.6342 14.6342 18.0710 18.0710 18.0710 18.0710 k = 0.2222 0.1283 0.3646 ( 4160 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6831 -40.6831 -36.2305 -36.2305 -36.2305 -36.2305 -36.2132 -36.2132 -36.2132 -36.2132 2.4529 2.4529 2.4529 2.4529 7.8446 7.8446 7.8446 7.8446 8.5989 8.5989 8.5989 8.5989 9.1351 9.1351 9.1351 9.1351 9.6435 9.6435 9.6435 9.6435 9.8422 9.8422 9.8422 9.8422 12.4949 12.4949 12.4949 12.4949 13.9575 13.9575 13.9575 13.9575 14.5742 14.5742 14.5742 14.5742 18.0197 18.0197 18.0197 18.0197 k = 0.2333 0.1347 0.3646 ( 4156 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6831 -40.6831 -36.2306 -36.2306 -36.2306 -36.2306 -36.2132 -36.2132 -36.2132 -36.2132 2.4912 2.4912 2.4912 2.4912 7.7997 7.7997 7.7997 7.7997 8.6017 8.6017 8.6017 8.6017 9.1431 9.1431 9.1431 9.1431 9.6401 9.6401 9.6401 9.6401 9.8500 9.8500 9.8500 9.8500 12.3989 12.3989 12.3989 12.3989 13.9698 13.9698 13.9698 13.9698 14.5166 14.5166 14.5166 14.5166 17.9718 17.9718 17.9718 17.9718 k = 0.2444 0.1411 0.3646 ( 4152 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6831 -40.6831 -36.2307 -36.2307 -36.2307 -36.2307 -36.2132 -36.2132 -36.2132 -36.2132 2.5304 2.5304 2.5304 2.5304 7.7553 7.7553 7.7553 7.7553 8.6042 8.6042 8.6042 8.6042 9.1503 9.1503 9.1503 9.1503 9.6374 9.6374 9.6374 9.6374 9.8583 9.8583 9.8583 9.8583 12.2946 12.2946 12.2946 12.2946 13.9899 13.9899 13.9899 13.9899 14.4629 14.4629 14.4629 14.4629 17.9274 17.9274 17.9274 17.9274 k = 0.2556 0.1475 0.3646 ( 4140 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6832 -40.6832 -40.6832 -40.6832 -36.2308 -36.2308 -36.2308 -36.2308 -36.2132 -36.2132 -36.2132 -36.2132 2.5704 2.5704 2.5704 2.5704 7.7116 7.7116 7.7116 7.7116 8.6066 8.6066 8.6066 8.6066 9.1567 9.1567 9.1567 9.1567 9.6355 9.6355 9.6355 9.6355 9.8672 9.8672 9.8672 9.8672 12.1845 12.1845 12.1845 12.1845 14.0132 14.0132 14.0132 14.0132 14.4154 14.4154 14.4154 14.4154 17.8864 17.8864 17.8864 17.8864 k = 0.2667 0.1540 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6832 -40.6832 -40.6832 -40.6832 -36.2309 -36.2309 -36.2309 -36.2309 -36.2132 -36.2132 -36.2132 -36.2132 2.6111 2.6111 2.6111 2.6111 7.6686 7.6686 7.6686 7.6686 8.6087 8.6087 8.6087 8.6087 9.1621 9.1621 9.1621 9.1621 9.6346 9.6346 9.6346 9.6346 9.8765 9.8765 9.8765 9.8765 12.0710 12.0710 12.0710 12.0710 14.0338 14.0338 14.0338 14.0338 14.3779 14.3779 14.3779 14.3779 17.8487 17.8487 17.8487 17.8487 k = 0.2778 0.1604 0.3646 ( 4138 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6832 -40.6832 -40.6832 -40.6832 -36.2310 -36.2310 -36.2310 -36.2310 -36.2132 -36.2132 -36.2132 -36.2132 2.6522 2.6522 2.6522 2.6522 7.6264 7.6264 7.6264 7.6264 8.6106 8.6106 8.6106 8.6106 9.1664 9.1664 9.1664 9.1664 9.6347 9.6347 9.6347 9.6347 9.8863 9.8863 9.8863 9.8863 11.9557 11.9557 11.9557 11.9557 14.0444 14.0444 14.0444 14.0444 14.3563 14.3563 14.3563 14.3563 17.8144 17.8144 17.8144 17.8144 k = 0.2889 0.1668 0.3646 ( 4134 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6832 -40.6832 -40.6832 -40.6832 -36.2311 -36.2311 -36.2311 -36.2311 -36.2132 -36.2132 -36.2132 -36.2132 2.6935 2.6935 2.6935 2.6935 7.5852 7.5852 7.5852 7.5852 8.6123 8.6123 8.6123 8.6123 9.1697 9.1697 9.1697 9.1697 9.6360 9.6360 9.6360 9.6360 9.8965 9.8965 9.8965 9.8965 11.8400 11.8400 11.8400 11.8400 14.0388 14.0388 14.0388 14.0388 14.3556 14.3556 14.3556 14.3556 17.7834 17.7834 17.7834 17.7834 k = 0.3000 0.1732 0.3646 ( 4134 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6833 -40.6833 -36.2312 -36.2312 -36.2312 -36.2312 -36.2133 -36.2133 -36.2133 -36.2133 2.7350 2.7350 2.7350 2.7350 7.5452 7.5452 7.5452 7.5452 8.6137 8.6137 8.6137 8.6137 9.1718 9.1718 9.1718 9.1718 9.6386 9.6386 9.6386 9.6386 9.9071 9.9071 9.9071 9.9071 11.7250 11.7250 11.7250 11.7250 14.0167 14.0167 14.0167 14.0167 14.3751 14.3751 14.3751 14.3751 17.7556 17.7556 17.7556 17.7556 k = 0.3111 0.1796 0.3646 ( 4126 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6833 -40.6833 -36.2312 -36.2312 -36.2312 -36.2312 -36.2133 -36.2133 -36.2133 -36.2133 2.7763 2.7763 2.7763 2.7763 7.5062 7.5062 7.5062 7.5062 8.6149 8.6149 8.6149 8.6149 9.1729 9.1729 9.1729 9.1729 9.6426 9.6426 9.6426 9.6426 9.9181 9.9181 9.9181 9.9181 11.6117 11.6117 11.6117 11.6117 13.9833 13.9833 13.9833 13.9833 14.4090 14.4090 14.4090 14.4090 17.7310 17.7310 17.7310 17.7310 k = 0.3222 0.1860 0.3646 ( 4128 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6833 -40.6833 -36.2313 -36.2313 -36.2313 -36.2313 -36.2133 -36.2133 -36.2133 -36.2133 2.8172 2.8172 2.8172 2.8172 7.4686 7.4686 7.4686 7.4686 8.6159 8.6159 8.6159 8.6159 9.1728 9.1728 9.1728 9.1728 9.6480 9.6480 9.6480 9.6480 9.9293 9.9293 9.9293 9.9293 11.5007 11.5007 11.5007 11.5007 13.9438 13.9438 13.9438 13.9438 14.4512 14.4512 14.4512 14.4512 17.7095 17.7095 17.7095 17.7095 k = 0.3333 0.1925 0.3646 ( 4128 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6833 -40.6833 -36.2314 -36.2314 -36.2314 -36.2314 -36.2133 -36.2133 -36.2133 -36.2133 2.8576 2.8576 2.8576 2.8576 7.4324 7.4324 7.4324 7.4324 8.6166 8.6166 8.6166 8.6166 9.1717 9.1717 9.1717 9.1717 9.6549 9.6549 9.6549 9.6549 9.9407 9.9407 9.9407 9.9407 11.3926 11.3926 11.3926 11.3926 13.9017 13.9017 13.9017 13.9017 14.4978 14.4978 14.4979 14.4979 17.6911 17.6911 17.6911 17.6911 k = 0.3444 0.1989 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6834 -40.6834 -36.2315 -36.2315 -36.2315 -36.2315 -36.2133 -36.2133 -36.2133 -36.2133 2.8971 2.8971 2.8971 2.8971 7.3977 7.3977 7.3977 7.3977 8.6172 8.6172 8.6172 8.6172 9.1696 9.1696 9.1696 9.1696 9.6633 9.6633 9.6633 9.6633 9.9522 9.9522 9.9522 9.9522 11.2881 11.2881 11.2881 11.2881 13.8592 13.8592 13.8592 13.8592 14.5463 14.5463 14.5463 14.5463 17.6755 17.6755 17.6755 17.6755 k = 0.3556 0.2053 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6834 -40.6834 -36.2316 -36.2316 -36.2316 -36.2316 -36.2133 -36.2133 -36.2133 -36.2133 2.9355 2.9355 2.9355 2.9355 7.3646 7.3646 7.3646 7.3646 8.6177 8.6177 8.6177 8.6177 9.1667 9.1667 9.1667 9.1667 9.6732 9.6732 9.6732 9.6732 9.9637 9.9637 9.9637 9.9637 11.1874 11.1874 11.1874 11.1874 13.8173 13.8173 13.8173 13.8173 14.5952 14.5952 14.5952 14.5952 17.6629 17.6629 17.6629 17.6629 k = 0.3667 0.2117 0.3646 ( 4130 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6834 -40.6834 -36.2317 -36.2317 -36.2317 -36.2317 -36.2133 -36.2133 -36.2133 -36.2133 2.9725 2.9725 2.9725 2.9725 7.3333 7.3333 7.3333 7.3333 8.6180 8.6180 8.6180 8.6180 9.1629 9.1629 9.1629 9.1629 9.6845 9.6845 9.6845 9.6845 9.9752 9.9752 9.9752 9.9752 11.0911 11.0911 11.0911 11.0911 13.7769 13.7769 13.7769 13.7769 14.6432 14.6432 14.6432 14.6432 17.6529 17.6529 17.6529 17.6529 k = 0.3778 0.2181 0.3646 ( 4134 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6834 -40.6834 -36.2317 -36.2317 -36.2317 -36.2317 -36.2133 -36.2133 -36.2133 -36.2133 3.0079 3.0079 3.0079 3.0079 7.3038 7.3038 7.3038 7.3038 8.6181 8.6181 8.6181 8.6181 9.1586 9.1586 9.1586 9.1586 9.6972 9.6972 9.6972 9.6972 9.9865 9.9865 9.9865 9.9865 10.9993 10.9993 10.9993 10.9993 13.7385 13.7385 13.7385 13.7385 14.6895 14.6895 14.6895 14.6895 17.6453 17.6453 17.6453 17.6453 k = 0.3889 0.2245 0.3646 ( 4130 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2318 -36.2318 -36.2318 -36.2318 -36.2133 -36.2133 -36.2133 -36.2133 3.0415 3.0415 3.0415 3.0415 7.2764 7.2764 7.2764 7.2764 8.6182 8.6182 8.6182 8.6182 9.1538 9.1538 9.1538 9.1538 9.7112 9.7112 9.7112 9.7112 9.9976 9.9976 9.9976 9.9976 10.9126 10.9126 10.9126 10.9126 13.7024 13.7024 13.7024 13.7024 14.7336 14.7336 14.7336 14.7336 17.6401 17.6401 17.6401 17.6401 k = 0.4000 0.2309 0.3646 ( 4114 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2319 -36.2319 -36.2319 -36.2319 -36.2133 -36.2133 -36.2133 -36.2133 3.0728 3.0728 3.0728 3.0728 7.2510 7.2510 7.2510 7.2510 8.6182 8.6182 8.6182 8.6182 9.1488 9.1488 9.1488 9.1488 9.7263 9.7263 9.7263 9.7263 10.0083 10.0083 10.0083 10.0083 10.8312 10.8312 10.8312 10.8312 13.6691 13.6691 13.6691 13.6691 14.7750 14.7750 14.7750 14.7750 17.6369 17.6369 17.6369 17.6369 k = 0.4111 0.2374 0.3646 ( 4122 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2319 -36.2319 -36.2319 -36.2319 -36.2133 -36.2133 -36.2133 -36.2133 3.1018 3.1018 3.1018 3.1018 7.2279 7.2279 7.2279 7.2279 8.6181 8.6181 8.6181 8.6181 9.1436 9.1436 9.1436 9.1436 9.7421 9.7421 9.7421 9.7421 10.0186 10.0186 10.0186 10.0186 10.7552 10.7552 10.7552 10.7552 13.6386 13.6386 13.6386 13.6386 14.8130 14.8130 14.8130 14.8130 17.6354 17.6354 17.6354 17.6354 k = 0.4222 0.2438 0.3646 ( 4126 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2320 -36.2320 -36.2320 -36.2320 -36.2133 -36.2133 -36.2133 -36.2133 3.1280 3.1280 3.1280 3.1280 7.2072 7.2072 7.2072 7.2072 8.6179 8.6179 8.6179 8.6179 9.1385 9.1385 9.1385 9.1385 9.7586 9.7586 9.7586 9.7586 10.0284 10.0284 10.0284 10.0284 10.6852 10.6852 10.6852 10.6852 13.6112 13.6112 13.6112 13.6112 14.8474 14.8474 14.8474 14.8474 17.6353 17.6353 17.6353 17.6353 k = 0.4333 0.2502 0.3646 ( 4122 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2320 -36.2320 -36.2320 -36.2320 -36.2133 -36.2133 -36.2133 -36.2133 3.1513 3.1513 3.1513 3.1513 7.1889 7.1889 7.1889 7.1889 8.6177 8.6177 8.6177 8.6177 9.1337 9.1337 9.1337 9.1337 9.7752 9.7752 9.7752 9.7752 10.0376 10.0376 10.0376 10.0376 10.6217 10.6217 10.6217 10.6217 13.5872 13.5872 13.5872 13.5872 14.8778 14.8778 14.8778 14.8778 17.6362 17.6362 17.6362 17.6362 k = 0.4444 0.2566 0.3646 ( 4122 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6835 -40.6835 -36.2320 -36.2320 -36.2320 -36.2320 -36.2133 -36.2133 -36.2133 -36.2133 3.1715 3.1715 3.1715 3.1715 7.1732 7.1732 7.1732 7.1732 8.6175 8.6175 8.6175 8.6175 9.1293 9.1293 9.1293 9.1293 9.7913 9.7913 9.7913 9.7913 10.0463 10.0463 10.0463 10.0463 10.5651 10.5651 10.5651 10.5651 13.5666 13.5666 13.5666 13.5666 14.9040 14.9040 14.9040 14.9040 17.6379 17.6379 17.6379 17.6379 k = 0.4556 0.2630 0.3646 ( 4118 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.1882 3.1882 3.1882 3.1882 7.1603 7.1603 7.1603 7.1603 8.6174 8.6174 8.6174 8.6174 9.1255 9.1255 9.1255 9.1255 9.8063 9.8063 9.8063 9.8063 10.0541 10.0541 10.0541 10.0541 10.5164 10.5164 10.5164 10.5164 13.5496 13.5496 13.5496 13.5496 14.9257 14.9257 14.9257 14.9257 17.6398 17.6398 17.6398 17.6398 k = 0.4667 0.2694 0.3646 ( 4118 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2015 3.2015 3.2015 3.2015 7.1501 7.1501 7.1501 7.1501 8.6172 8.6172 8.6172 8.6172 9.1224 9.1224 9.1224 9.1224 9.8194 9.8194 9.8194 9.8194 10.0610 10.0610 10.0610 10.0610 10.4763 10.4763 10.4763 10.4763 13.5362 13.5362 13.5362 13.5362 14.9428 14.9428 14.9428 14.9428 17.6417 17.6417 17.6417 17.6417 k = 0.4778 0.2758 0.3646 ( 4114 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2111 3.2111 3.2111 3.2111 7.1427 7.1427 7.1427 7.1427 8.6171 8.6171 8.6171 8.6171 9.1201 9.1201 9.1201 9.1201 9.8296 9.8296 9.8296 9.8296 10.0665 10.0665 10.0665 10.0665 10.4463 10.4463 10.4463 10.4463 13.5266 13.5266 13.5266 13.5266 14.9551 14.9551 14.9551 14.9551 17.6433 17.6433 17.6433 17.6433 k = 0.4889 0.2823 0.3646 ( 4114 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6836 -40.6836 -40.6836 -40.6836 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2168 3.2168 3.2168 3.2168 7.1383 7.1383 7.1383 7.1383 8.6171 8.6171 8.6171 8.6171 9.1187 9.1187 9.1187 9.1187 9.8362 9.8362 9.8362 9.8362 10.0701 10.0701 10.0701 10.0701 10.4275 10.4275 10.4275 10.4275 13.5209 13.5209 13.5209 13.5209 14.9626 14.9626 14.9626 14.9626 17.6444 17.6444 17.6444 17.6444 k = 0.5000 0.2887 0.3646 ( 4108 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2188 3.2188 3.2188 3.2188 7.1369 7.1369 7.1369 7.1369 8.6171 8.6171 8.6171 8.6171 9.1182 9.1182 9.1182 9.1182 9.8385 9.8385 9.8385 9.8385 10.0715 10.0715 10.0715 10.0715 10.4212 10.4212 10.4212 10.4212 13.5190 13.5190 13.5190 13.5190 14.9650 14.9650 14.9650 14.9650 17.6448 17.6448 17.6448 17.6448 k = 0.5000 0.2887 0.3646 ( 4108 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2188 3.2188 3.2188 3.2188 7.1369 7.1369 7.1369 7.1369 8.6171 8.6171 8.6171 8.6171 9.1182 9.1182 9.1182 9.1182 9.8385 9.8385 9.8385 9.8385 10.0715 10.0715 10.0715 10.0715 10.4212 10.4212 10.4212 10.4212 13.5190 13.5190 13.5190 13.5190 14.9650 14.9650 14.9650 14.9650 17.6448 17.6448 17.6448 17.6448 k = 0.4936 0.2998 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6836 -40.6836 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2185 3.2185 3.2199 3.2199 7.1375 7.1375 7.1387 7.1387 8.6142 8.6142 8.6183 8.6183 9.1162 9.1162 9.1193 9.1193 9.8312 9.8312 9.8444 9.8444 10.0564 10.0564 10.0886 10.0886 10.4143 10.4143 10.4279 10.4279 13.4902 13.4902 13.5095 13.5095 14.9685 14.9685 15.0007 15.0007 17.6445 17.6445 17.6529 17.6529 k = 0.4872 0.3109 0.3646 ( 4120 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6836 -40.6836 -40.6835 -40.6835 -36.2322 -36.2322 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2190 3.2190 3.2219 3.2219 7.1405 7.1405 7.1431 7.1431 8.6097 8.6097 8.6180 8.6180 9.1134 9.1134 9.1197 9.1197 9.8232 9.8232 9.8487 9.8487 10.0441 10.0441 10.1077 10.1077 10.4074 10.4074 10.4348 10.4348 13.4281 13.4281 13.4631 13.4631 15.0097 15.0097 15.0707 15.0707 17.6521 17.6521 17.6690 17.6690 k = 0.4808 0.3220 0.3646 ( 4124 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6835 -40.6835 -36.2322 -36.2322 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2203 3.2203 3.2247 3.2247 7.1461 7.1461 7.1499 7.1499 8.6037 8.6037 8.6163 8.6163 9.1098 9.1098 9.1193 9.1193 9.8147 9.8147 9.8507 9.8507 10.0347 10.0347 10.1281 10.1281 10.4005 10.4005 10.4418 10.4418 13.3407 13.3407 13.3863 13.3863 15.0821 15.0821 15.1666 15.1666 17.6678 17.6678 17.6931 17.6931 k = 0.4744 0.3331 0.3646 ( 4118 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6836 -40.6836 -40.6835 -40.6835 -36.2322 -36.2322 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2225 3.2225 3.2284 3.2284 7.1540 7.1540 7.1592 7.1592 8.5963 8.5963 8.6131 8.6131 9.1055 9.1055 9.1180 9.1180 9.8062 9.8062 9.8502 9.8502 10.0284 10.0284 10.1494 10.1494 10.3940 10.3940 10.4493 10.4493 13.2360 13.2360 13.2875 13.2875 15.1769 15.1769 15.2804 15.2804 17.6918 17.6918 17.7254 17.7254 k = 0.4679 0.3442 0.3646 ( 4122 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6836 -40.6836 -40.6835 -40.6835 -36.2322 -36.2322 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2255 3.2255 3.2327 3.2327 7.1643 7.1643 7.1710 7.1710 8.5876 8.5876 8.6087 8.6087 9.1001 9.1001 9.1158 9.1158 9.7976 9.7976 9.8470 9.8470 10.0249 10.0249 10.1709 10.1709 10.3881 10.3881 10.4574 10.4574 13.1203 13.1203 13.1740 13.1740 15.2864 15.2864 15.4051 15.4051 17.7246 17.7246 17.7662 17.7662 k = 0.4615 0.3553 0.3646 ( 4132 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6835 -40.6835 -36.2322 -36.2322 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2292 3.2292 3.2379 3.2379 7.1768 7.1768 7.1851 7.1851 8.5776 8.5776 8.6031 8.6031 9.0936 9.0936 9.1125 9.1125 9.7892 9.7892 9.8413 9.8413 10.0235 10.0235 10.1915 10.1915 10.3839 10.3839 10.4663 10.4663 12.9982 12.9982 13.0515 13.0515 15.4043 15.4043 15.5355 15.5355 17.7664 17.7664 17.8157 17.8157 k = 0.4551 0.3664 0.3646 ( 4132 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6835 -40.6835 -36.2323 -36.2323 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2336 3.2336 3.2437 3.2437 7.1915 7.1915 7.2015 7.2015 8.5665 8.5665 8.5966 8.5966 9.0860 9.0860 9.1081 9.1081 9.7811 9.7811 9.8338 9.8338 10.0236 10.0236 10.2097 10.2097 10.3826 10.3826 10.4765 10.4765 12.8731 12.8731 12.9242 12.9242 15.5260 15.5260 15.6678 15.6678 17.8178 17.8178 17.8742 17.8742 k = 0.4487 0.3775 0.3646 ( 4128 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6835 -40.6835 -36.2323 -36.2323 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2387 3.2387 3.2502 3.2502 7.2083 7.2083 7.2201 7.2201 8.5546 8.5546 8.5893 8.5893 9.0772 9.0772 9.1025 9.1025 9.7733 9.7733 9.8249 9.8249 10.0242 10.0242 10.2236 10.2236 10.3862 10.3862 10.4882 10.4882 12.7473 12.7473 12.7949 12.7949 15.6481 15.6481 15.7989 15.7989 17.8791 17.8791 17.9419 17.9419 k = 0.4423 0.3886 0.3646 ( 4124 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2323 -36.2323 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2445 3.2445 3.2573 3.2573 7.2270 7.2270 7.2408 7.2408 8.5418 8.5418 8.5815 8.5815 9.0671 9.0671 9.0956 9.0956 9.7660 9.7660 9.8152 9.8152 10.0245 10.0245 10.2311 10.2311 10.3967 10.3967 10.5016 10.5016 12.6225 12.6225 12.6656 12.6656 15.7681 15.7681 15.9264 15.9264 17.9508 17.9508 18.0189 18.0189 k = 0.4359 0.3997 0.3646 ( 4120 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2323 -36.2323 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2508 3.2508 3.2649 3.2649 7.2475 7.2475 7.2635 7.2635 8.5285 8.5285 8.5734 8.5734 9.0554 9.0554 9.0872 9.0872 9.7591 9.7591 9.8050 9.8050 10.0237 10.0237 10.2316 10.2316 10.4145 10.4145 10.5170 10.5170 12.5002 12.5002 12.5380 12.5380 15.8841 15.8841 16.0484 16.0484 18.0328 18.0328 18.1049 18.1049 k = 0.4295 0.4108 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2324 -36.2324 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2576 3.2576 3.2729 3.2729 7.2696 7.2696 7.2881 7.2881 8.5147 8.5147 8.5652 8.5652 9.0422 9.0422 9.0772 9.0772 9.7526 9.7526 9.7948 9.7948 10.0215 10.0215 10.2260 10.2260 10.4386 10.4386 10.5345 10.5345 12.3813 12.3813 12.4132 12.4132 15.9946 15.9946 16.1636 16.1636 18.1250 18.1250 18.1997 18.1997 k = 0.4231 0.4219 0.3646 ( 4112 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2324 -36.2324 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2648 3.2648 3.2813 3.2813 7.2930 7.2930 7.3143 7.3143 8.5006 8.5006 8.5571 8.5571 9.0272 9.0272 9.0657 9.0657 9.7466 9.7466 9.7847 9.7847 10.0175 10.0175 10.2160 10.2160 10.4675 10.4675 10.5541 10.5541 12.2666 12.2666 12.2919 12.2919 16.0988 16.0988 16.2709 16.2709 18.2269 18.2269 18.3024 18.3024 k = 0.4167 0.4330 0.3646 ( 4112 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2324 -36.2324 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2723 3.2723 3.2900 3.2900 7.3176 7.3176 7.3419 7.3419 8.4864 8.4864 8.5495 8.5495 9.0105 9.0105 9.0524 9.0524 9.7412 9.7412 9.7751 9.7751 10.0116 10.0116 10.2029 10.2029 10.4998 10.4998 10.5757 10.5757 12.1567 12.1567 12.1750 12.1750 16.1959 16.1959 16.3699 16.3699 18.3375 18.3375 18.4119 18.4119 k = 0.4103 0.4441 0.3646 ( 4120 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2325 -36.2325 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2801 3.2801 3.2989 3.2989 7.3430 7.3430 7.3706 7.3706 8.4722 8.4722 8.5426 8.5426 8.9919 8.9919 9.0374 9.0374 9.7363 9.7363 9.7661 9.7661 10.0039 10.0039 10.1877 10.1877 10.5346 10.5346 10.5993 10.5993 12.0523 12.0523 12.0629 12.0629 16.2857 16.2857 16.4605 16.4605 18.4555 18.4555 18.5268 18.5268 k = 0.4038 0.4552 0.3646 ( 4126 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2325 -36.2325 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2880 3.2880 3.3078 3.3078 7.3689 7.3689 7.4002 7.4002 8.4582 8.4582 8.5367 8.5367 8.9714 8.9714 9.0208 9.0208 9.7320 9.7320 9.7579 9.7579 9.9945 9.9945 10.1711 10.1711 10.5713 10.5713 10.6246 10.6246 11.9536 11.9536 11.9561 11.9561 16.3682 16.3682 16.5428 16.5428 18.5792 18.5792 18.6453 18.6453 k = 0.3974 0.4663 0.3646 ( 4126 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2325 -36.2325 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2959 3.2959 3.3167 3.3167 7.3948 7.3948 7.4301 7.4301 8.4447 8.4447 8.5321 8.5321 8.9492 8.9492 9.0028 9.0028 9.7283 9.7283 9.7507 9.7507 9.9837 9.9837 10.1537 10.1537 10.6094 10.6094 10.6514 10.6514 11.8550 11.8550 11.8612 11.8612 16.4434 16.4434 16.6171 16.6171 18.7066 18.7066 18.7653 18.7653 k = 0.3910 0.4774 0.3646 ( 4126 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2325 -36.2325 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.3037 3.3037 3.3255 3.3255 7.4205 7.4205 7.4601 7.4601 8.4317 8.4317 8.5290 8.5290 8.9252 8.9252 8.9834 8.9834 9.7254 9.7254 9.7446 9.7446 9.9717 9.9717 10.1360 10.1360 10.6485 10.6485 10.6793 10.6793 11.7597 11.7597 11.7752 11.7752 16.5115 16.5115 16.6839 16.6839 18.8356 18.8356 18.8844 18.8844 k = 0.3846 0.4885 0.3646 ( 4128 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.3114 3.3114 3.3339 3.3339 7.4453 7.4453 7.4896 7.4896 8.4196 8.4196 8.5279 8.5279 8.8998 8.8998 8.9632 8.9632 9.7230 9.7230 9.7396 9.7396 9.9589 9.9589 10.1183 10.1183 10.6883 10.6883 10.7077 10.7077 11.6706 11.6706 11.6960 11.6960 16.5727 16.5727 16.7435 16.7435 18.9639 18.9639 19.0000 19.0000 k = 0.3782 0.4996 0.3646 ( 4120 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.3186 3.3186 3.3419 3.3419 7.4687 7.4687 7.5179 7.5179 8.4085 8.4085 8.5289 8.5289 8.8732 8.8732 8.9426 8.9426 9.7214 9.7214 9.7360 9.7360 9.9458 9.9458 10.1012 10.1012 10.7286 10.7286 10.7364 10.7364 11.5877 11.5877 11.6238 11.6238 16.6271 16.6271 16.7963 16.7963 19.0892 19.0892 19.1095 19.1095 k = 0.3718 0.5107 0.3646 ( 4124 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3254 3.3254 3.3494 3.3494 7.4903 7.4903 7.5444 7.5444 8.3986 8.3986 8.5322 8.5322 8.8457 8.8457 8.9222 8.9222 9.7203 9.7203 9.7335 9.7335 9.9325 9.9325 10.0849 10.0849 10.7644 10.7644 10.7687 10.7687 11.5114 11.5114 11.5590 11.5590 16.6747 16.6747 16.8424 16.8424 19.2092 19.2092 19.2100 19.2100 k = 0.3654 0.5218 0.3646 ( 4124 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3316 3.3316 3.3561 3.3561 7.5095 7.5095 7.5684 7.5684 8.3901 8.3901 8.5380 8.5380 8.8181 8.8181 8.9027 8.9027 9.7198 9.7198 9.7324 9.7324 9.9197 9.9197 10.0700 10.0700 10.7911 10.7911 10.8081 10.8081 11.4419 11.4419 11.5021 11.5021 16.7157 16.7157 16.8821 16.8821 19.2987 19.2987 19.3215 19.3215 k = 0.3590 0.5329 0.3646 ( 4124 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3370 3.3370 3.3620 3.3620 7.5258 7.5258 7.5892 7.5892 8.3832 8.3832 8.5460 8.5460 8.7912 8.7912 8.8850 8.8850 9.7198 9.7198 9.7323 9.7323 9.9078 9.9078 10.0569 10.0569 10.8154 10.8154 10.8459 10.8459 11.3800 11.3800 11.4536 11.4536 16.7498 16.7498 16.9151 16.9151 19.3729 19.3729 19.4230 19.4230 k = 0.3526 0.5440 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3415 3.3415 3.3669 3.3669 7.5388 7.5388 7.6060 7.6060 8.3780 8.3780 8.5558 8.5558 8.7660 8.7660 8.8698 8.8698 9.7202 9.7202 9.7331 9.7331 9.8973 9.8973 10.0459 10.0459 10.8363 10.8363 10.8807 10.8807 11.3270 11.3270 11.4147 11.4147 16.7768 16.7768 16.9414 16.9414 19.4304 19.4304 19.5102 19.5102 k = 0.3462 0.5551 0.3646 ( 4112 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3449 3.3449 3.3705 3.3705 7.5482 7.5482 7.6184 7.6184 8.3745 8.3745 8.5662 8.5662 8.7442 8.7442 8.8582 8.8582 9.7208 9.7208 9.7344 9.7344 9.8888 9.8888 10.0376 10.0376 10.8522 10.8522 10.9098 10.9098 11.2851 11.2851 11.3860 11.3860 16.7965 16.7965 16.9606 16.9606 19.4699 19.4699 19.5781 19.5781 k = 0.3397 0.5662 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3470 3.3470 3.3728 3.3728 7.5538 7.5538 7.6258 7.6258 8.3726 8.3726 8.5748 8.5748 8.7287 8.7287 8.8507 8.8507 9.7212 9.7212 9.7357 9.7357 9.8831 9.8831 10.0323 10.0323 10.8621 10.8621 10.9296 10.9296 11.2575 11.2575 11.3686 11.3686 16.8086 16.8086 16.9724 16.9724 19.4919 19.4919 19.6207 19.6207 k = 0.3333 0.5774 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3478 3.3478 3.3736 3.3736 7.5557 7.5557 7.6283 7.6283 8.3721 8.3721 8.5783 8.5783 8.7228 8.7228 8.8481 8.8481 9.7214 9.7214 9.7362 9.7362 9.8810 9.8810 10.0304 10.0304 10.8654 10.8654 10.9367 10.9367 11.2481 11.2481 11.3629 11.3629 16.8127 16.8127 16.9765 16.9765 19.4985 19.4985 19.6346 19.6346 k = 0.3333 0.5774 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3478 3.3478 3.3736 3.3736 7.5557 7.5557 7.6283 7.6283 8.3721 8.3721 8.5783 8.5783 8.7228 8.7228 8.8481 8.8481 9.7214 9.7214 9.7362 9.7362 9.8810 9.8810 10.0304 10.0304 10.8654 10.8654 10.9367 10.9367 11.2481 11.2481 11.3629 11.3629 16.8127 16.8127 16.9765 16.9765 19.4985 19.4985 19.6346 19.6346 k = 0.3269 0.5662 0.3646 ( 4122 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6836 -40.6836 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3470 3.3470 3.3728 3.3728 7.5539 7.5539 7.6259 7.6259 8.3725 8.3725 8.5746 8.5746 8.7288 8.7288 8.8508 8.8508 9.7211 9.7211 9.7355 9.7355 9.8833 9.8833 10.0323 10.0323 10.8623 10.8623 10.9301 10.9301 11.2570 11.2570 11.3683 11.3683 16.8085 16.8085 16.9723 16.9723 19.4932 19.4932 19.6232 19.6232 k = 0.3205 0.5551 0.3646 ( 4130 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6836 -40.6836 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3445 3.3445 3.3701 3.3701 7.5489 7.5489 7.6192 7.6192 8.3736 8.3736 8.5647 8.5647 8.7454 8.7454 8.8587 8.8587 9.7202 9.7202 9.7331 9.7331 9.8902 9.8902 10.0382 10.0382 10.8542 10.8542 10.9135 10.9135 11.2811 11.2811 11.3836 11.3836 16.7958 16.7958 16.9597 16.9597 19.4802 19.4802 19.5956 19.5956 k = 0.3141 0.5440 0.3646 ( 4126 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3401 3.3401 3.3655 3.3655 7.5410 7.5410 7.6088 7.6088 8.3751 8.3751 8.5518 8.5518 8.7692 8.7692 8.8717 8.8717 9.7185 9.7185 9.7292 9.7292 9.9019 9.9019 10.0479 10.0479 10.8429 10.8429 10.8919 10.8919 11.3157 11.3157 11.4073 11.4073 16.7745 16.7745 16.9384 16.9384 19.4631 19.4631 19.5607 19.5607 k = 0.3077 0.5329 0.3646 ( 4138 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6836 -40.6836 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3338 3.3338 3.3588 3.3588 7.5308 7.5308 7.5954 7.5954 8.3768 8.3768 8.5382 8.5382 8.7973 8.7973 8.8889 8.8889 9.7159 9.7159 9.7238 9.7238 9.9176 9.9176 10.0612 10.0612 10.8301 10.8301 10.8691 10.8691 11.3569 11.3569 11.4376 11.4376 16.7445 16.7445 16.9083 16.9083 19.4448 19.4448 19.5246 19.5246 k = 0.3013 0.5218 0.3646 ( 4140 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3255 3.3255 3.3499 3.3499 7.5190 7.5190 7.5801 7.5801 8.3786 8.3786 8.5252 8.5252 8.8279 8.8279 8.9098 8.9098 9.7126 9.7126 9.7177 9.7177 9.9368 9.9368 10.0776 10.0776 10.8180 10.8180 10.8482 10.8482 11.4026 11.4026 11.4730 11.4730 16.7061 16.7061 16.8697 16.8697 19.4271 19.4271 19.4902 19.4902 k = 0.2949 0.5107 0.3646 ( 4144 PWs) bands (ev): -71.8443 -71.8443 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3149 3.3149 3.3388 3.3388 7.5061 7.5061 7.5636 7.5636 8.3807 8.3807 8.5136 8.5136 8.8596 8.8596 8.9334 8.9334 9.7087 9.7087 9.7110 9.7110 9.9585 9.9585 10.0960 10.0960 10.8081 10.8081 10.8313 10.8313 11.4515 11.4515 11.5125 11.5125 16.6597 16.6597 16.8229 16.8229 19.4110 19.4110 19.4591 19.4591 k = 0.2885 0.4996 0.3646 ( 4132 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2326 -36.2326 -36.2321 -36.2321 -36.2135 -36.2135 -36.2133 -36.2133 3.3021 3.3021 3.3253 3.3253 7.4930 7.4930 7.5468 7.5468 8.3830 8.3830 8.5037 8.5037 8.8914 8.8914 8.9587 8.9587 9.7042 9.7042 9.7043 9.7043 9.9816 9.9816 10.1153 10.1153 10.8023 10.8023 10.8206 10.8206 11.5028 11.5028 11.5554 11.5554 16.6057 16.6057 16.7683 16.7683 19.3970 19.3970 19.4312 19.4312 k = 0.2821 0.4885 0.3646 ( 4132 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2325 -36.2325 -36.2321 -36.2321 -36.2134 -36.2134 -36.2133 -36.2133 3.2870 3.2870 3.3094 3.3094 7.4800 7.4800 7.5303 7.5303 8.3857 8.3857 8.4957 8.4957 8.9226 8.9226 8.9848 8.9848 9.6973 9.6973 9.6995 9.6995 10.0048 10.0048 10.1336 10.1336 10.8022 10.8022 10.8178 10.8178 11.5559 11.5559 11.6009 11.6009 16.5446 16.5446 16.7066 16.7066 19.3846 19.3846 19.4063 19.4063 k = 0.2756 0.4774 0.3646 ( 4128 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2325 -36.2325 -36.2320 -36.2320 -36.2134 -36.2134 -36.2133 -36.2133 3.2695 3.2695 3.2911 3.2911 7.4678 7.4678 7.5150 7.5150 8.3888 8.3888 8.4895 8.4895 8.9527 8.9527 9.0108 9.0108 9.6907 9.6907 9.6945 9.6945 10.0266 10.0266 10.1494 10.1494 10.8098 10.8098 10.8250 10.8250 11.6108 11.6108 11.6487 11.6487 16.4773 16.4773 16.6385 16.6385 19.3733 19.3733 19.3833 19.3833 k = 0.2692 0.4663 0.3646 ( 4126 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2324 -36.2324 -36.2320 -36.2320 -36.2134 -36.2134 -36.2133 -36.2133 3.2496 3.2496 3.2703 3.2703 7.4570 7.4570 7.5012 7.5012 8.3925 8.3925 8.4852 8.4852 8.9812 8.9812 9.0362 9.0362 9.6844 9.6844 9.6892 9.6892 10.0455 10.0455 10.1608 10.1608 10.8265 10.8265 10.8436 10.8436 11.6672 11.6672 11.6984 11.6984 16.4045 16.4045 16.5649 16.5649 19.3612 19.3612 19.3620 19.3620 k = 0.2628 0.4552 0.3646 ( 4130 PWs) bands (ev): -71.8443 -71.8443 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2324 -36.2324 -36.2320 -36.2320 -36.2134 -36.2134 -36.2133 -36.2133 3.2275 3.2275 3.2472 3.2472 7.4479 7.4479 7.4895 7.4895 8.3967 8.3967 8.4825 8.4825 9.0078 9.0078 9.0604 9.0604 9.6785 9.6785 9.6839 9.6839 10.0603 10.0603 10.1667 10.1667 10.8539 10.8539 10.8749 10.8749 11.7249 11.7249 11.7498 11.7498 16.3268 16.3268 16.4865 16.4865 19.3388 19.3388 19.3496 19.3496 k = 0.2564 0.4441 0.3646 ( 4122 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2323 -36.2323 -36.2319 -36.2319 -36.2134 -36.2134 -36.2133 -36.2133 3.2030 3.2030 3.2217 3.2217 7.4410 7.4410 7.4802 7.4802 8.4016 8.4016 8.4815 8.4815 9.0325 9.0325 9.0831 9.0831 9.6730 9.6730 9.6786 9.6786 10.0700 10.0700 10.1670 10.1670 10.8927 10.8927 10.9190 10.9190 11.7841 11.7841 11.8028 11.8028 16.2452 16.2452 16.4042 16.4042 19.3151 19.3151 19.3351 19.3351 k = 0.2500 0.4330 0.3646 ( 4124 PWs) bands (ev): -71.8443 -71.8443 -71.8442 -71.8442 -40.6837 -40.6837 -40.6835 -40.6835 -36.2323 -36.2323 -36.2319 -36.2319 -36.2134 -36.2134 -36.2133 -36.2133 3.1763 3.1763 3.1940 3.1940 7.4364 7.4364 7.4737 7.4737 8.4070 8.4070 8.4818 8.4818 9.0551 9.0551 9.1040 9.1040 9.6681 9.6681 9.6734 9.6734 10.0741 10.0741 10.1615 10.1615 10.9433 10.9433 10.9752 10.9752 11.8446 11.8446 11.8572 11.8572 16.1602 16.1602 16.3188 16.3188 19.2893 19.2893 19.3176 19.3176 k = 0.2436 0.4219 0.3646 ( 4120 PWs) bands (ev): -71.8443 -71.8443 -71.8442 -71.8442 -40.6836 -40.6836 -40.6834 -40.6834 -36.2322 -36.2322 -36.2318 -36.2318 -36.2134 -36.2134 -36.2133 -36.2133 3.1474 3.1474 3.1641 3.1641 7.4346 7.4346 7.4701 7.4701 8.4130 8.4130 8.4836 8.4836 9.0756 9.0756 9.1229 9.1229 9.6636 9.6636 9.6682 9.6682 10.0731 10.0731 10.1513 10.1513 11.0052 11.0052 11.0425 11.0425 11.9064 11.9064 11.9129 11.9129 16.0727 16.0727 16.2310 16.2310 19.2611 19.2611 19.2965 19.2965 k = 0.2372 0.4108 0.3646 ( 4124 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6834 -40.6834 -36.2321 -36.2321 -36.2318 -36.2318 -36.2134 -36.2134 -36.2133 -36.2133 3.1166 3.1166 3.1321 3.1321 7.4355 7.4355 7.4695 7.4695 8.4195 8.4195 8.4864 8.4864 9.0940 9.0940 9.1398 9.1398 9.6598 9.6598 9.6631 9.6631 10.0674 10.0674 10.1374 10.1374 11.0776 11.0776 11.1196 11.1196 11.9695 11.9695 11.9698 11.9698 15.9833 15.9833 16.1415 16.1415 19.2301 19.2301 19.2715 19.2715 k = 0.2308 0.3997 0.3646 ( 4132 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6834 -40.6834 -36.2321 -36.2321 -36.2317 -36.2317 -36.2134 -36.2134 -36.2133 -36.2133 3.0838 3.0838 3.0983 3.0983 7.4393 7.4393 7.4721 7.4721 8.4265 8.4265 8.4903 8.4903 9.1103 9.1103 9.1546 9.1546 9.6566 9.6566 9.6582 9.6582 10.0577 10.0577 10.1207 10.1207 11.1595 11.1595 11.2052 11.2052 12.0276 12.0276 12.0340 12.0340 15.8926 15.8926 16.0510 16.0510 19.1966 19.1966 19.2427 19.2427 k = 0.2244 0.3886 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6836 -40.6836 -40.6834 -40.6834 -36.2320 -36.2320 -36.2317 -36.2317 -36.2134 -36.2134 -36.2133 -36.2133 3.0493 3.0493 3.0628 3.0628 7.4462 7.4462 7.4778 7.4778 8.4338 8.4338 8.4951 8.4951 9.1247 9.1247 9.1673 9.1673 9.6534 9.6534 9.6540 9.6540 10.0451 10.0451 10.1021 10.1021 11.2499 11.2499 11.2979 11.2979 12.0865 12.0865 12.0999 12.0999 15.8013 15.8013 15.9601 15.9601 19.1609 19.1609 19.2105 19.2105 k = 0.2179 0.3775 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6834 -40.6834 -36.2319 -36.2319 -36.2316 -36.2316 -36.2134 -36.2134 -36.2133 -36.2133 3.0133 3.0133 3.0257 3.0257 7.4561 7.4561 7.4868 7.4868 8.4416 8.4416 8.5006 8.5006 9.1371 9.1371 9.1780 9.1780 9.6489 9.6489 9.6520 9.6520 10.0302 10.0302 10.0823 10.0823 11.3476 11.3476 11.3967 11.3967 12.1463 12.1463 12.1673 12.1673 15.7099 15.7099 15.8695 15.8695 19.1235 19.1235 19.1755 19.1755 k = 0.2115 0.3664 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6834 -40.6834 -36.2318 -36.2318 -36.2315 -36.2315 -36.2134 -36.2134 -36.2133 -36.2133 2.9759 2.9759 2.9873 2.9873 7.4690 7.4690 7.4988 7.4988 8.4495 8.4495 8.5067 8.5067 9.1476 9.1476 9.1867 9.1867 9.6446 9.6446 9.6507 9.6507 10.0138 10.0138 10.0619 10.0619 11.4516 11.4516 11.5004 11.5004 12.2068 12.2068 12.2361 12.2361 15.6190 15.6190 15.7797 15.7797 19.0849 19.0849 19.1384 19.1384 k = 0.2051 0.3553 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6835 -40.6835 -40.6833 -40.6833 -36.2317 -36.2317 -36.2315 -36.2315 -36.2133 -36.2133 -36.2133 -36.2133 2.9373 2.9373 2.9477 2.9477 7.4848 7.4848 7.5139 7.5139 8.4577 8.4577 8.5134 8.5134 9.1564 9.1564 9.1935 9.1935 9.6405 9.6405 9.6499 9.6499 9.9964 9.9964 10.0414 10.0414 11.5612 11.5612 11.6082 11.6082 12.2678 12.2678 12.3066 12.3066 15.5292 15.5292 15.6913 15.6913 19.0458 19.0458 19.1000 19.1000 k = 0.1987 0.3442 0.3646 ( 4140 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6833 -40.6833 -36.2316 -36.2316 -36.2314 -36.2314 -36.2133 -36.2133 -36.2133 -36.2133 2.8977 2.8977 2.9072 2.9072 7.5034 7.5034 7.5319 7.5319 8.4659 8.4659 8.5203 8.5203 9.1633 9.1633 9.1983 9.1983 9.6366 9.6366 9.6498 9.6498 9.9785 9.9785 10.0211 10.0211 11.6754 11.6754 11.7190 11.7190 12.3292 12.3292 12.3787 12.3787 15.4410 15.4410 15.6049 15.6049 19.0066 19.0066 19.0609 19.0609 k = 0.1923 0.3331 0.3646 ( 4140 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6833 -40.6833 -36.2316 -36.2316 -36.2313 -36.2313 -36.2133 -36.2133 -36.2133 -36.2133 2.8573 2.8573 2.8659 2.8659 7.5248 7.5248 7.5527 7.5527 8.4742 8.4742 8.5274 8.5274 9.1686 9.1686 9.2014 9.2014 9.6331 9.6331 9.6502 9.6502 9.9604 9.9604 10.0014 10.0014 11.7936 11.7936 11.8317 11.8317 12.3909 12.3909 12.4528 12.4528 15.3550 15.3550 15.5211 15.5211 18.9679 18.9679 19.0219 19.0219 k = 0.1859 0.3220 0.3646 ( 4136 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6833 -40.6833 -36.2315 -36.2315 -36.2312 -36.2312 -36.2133 -36.2133 -36.2132 -36.2132 2.8163 2.8163 2.8241 2.8241 7.5488 7.5488 7.5762 7.5762 8.4824 8.4824 8.5347 8.5347 9.1722 9.1722 9.2028 9.2028 9.6300 9.6300 9.6511 9.6511 9.9426 9.9426 9.9825 9.9825 11.9149 11.9149 11.9454 11.9454 12.4527 12.4527 12.5291 12.5291 15.2720 15.2720 15.4405 15.4405 18.9303 18.9303 18.9835 18.9835 k = 0.1795 0.3109 0.3646 ( 4140 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6834 -40.6834 -40.6833 -40.6833 -36.2314 -36.2314 -36.2312 -36.2312 -36.2133 -36.2133 -36.2132 -36.2132 2.7749 2.7749 2.7819 2.7819 7.5753 7.5753 7.6022 7.6022 8.4905 8.4905 8.5418 8.5418 9.1741 9.1741 9.2025 9.2025 9.6273 9.6273 9.6525 9.6525 9.9254 9.9254 9.9645 9.9645 12.0385 12.0385 12.0585 12.0585 12.5145 12.5145 12.6080 12.6080 15.1925 15.1925 15.3638 15.3638 18.8942 18.8942 18.9462 18.9462 k = 0.1731 0.2998 0.3646 ( 4140 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6832 -40.6832 -36.2313 -36.2313 -36.2311 -36.2311 -36.2133 -36.2133 -36.2132 -36.2132 2.7333 2.7333 2.7396 2.7396 7.6041 7.6041 7.6306 7.6306 8.4982 8.4982 8.5488 8.5488 9.1745 9.1745 9.2006 9.2006 9.6251 9.6251 9.6543 9.6543 9.9088 9.9088 9.9476 9.9476 12.1630 12.1630 12.1695 12.1695 12.5767 12.5767 12.6904 12.6904 15.1173 15.1173 15.2918 15.2918 18.8600 18.8600 18.9107 18.9107 k = 0.1667 0.2887 0.3646 ( 4144 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6832 -40.6832 -36.2312 -36.2312 -36.2310 -36.2310 -36.2133 -36.2133 -36.2132 -36.2132 2.6917 2.6917 2.6973 2.6973 7.6351 7.6351 7.6612 7.6612 8.5056 8.5056 8.5554 8.5554 9.1732 9.1732 9.1973 9.1973 9.6235 9.6235 9.6565 9.6565 9.8931 9.8931 9.9318 9.9318 12.2765 12.2765 12.2869 12.2869 12.6398 12.6398 12.7769 12.7769 15.0472 15.0472 15.2250 15.2250 18.8281 18.8281 18.8773 18.8773 k = 0.1603 0.2776 0.3646 ( 4152 PWs) bands (ev): -71.8443 -71.8443 -71.8443 -71.8443 -40.6833 -40.6833 -40.6832 -40.6832 -36.2311 -36.2311 -36.2309 -36.2309 -36.2133 -36.2133 -36.2132 -36.2132 2.6503 2.6503 2.6552 2.6552 7.6681 7.6681 7.6938 7.6938 8.5126 8.5126 8.5616 8.5616 9.1705 9.1705 9.1926 9.1926 9.6225 9.6225 9.6590 9.6590 9.8784 9.8784 9.9171 9.9171 12.3775 12.3775 12.4070 12.4070 12.7060 12.7060 12.8686 12.8686 14.9832 14.9832 15.1644 15.1645 18.7989 18.7989 18.8464 18.8464 k = 0.1538 0.2665 0.3646 ( 4150 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6832 -40.6832 -40.6832 -40.6832 -36.2309 -36.2309 -36.2308 -36.2308 -36.2133 -36.2133 -36.2132 -36.2132 2.6092 2.6092 2.6135 2.6135 7.7030 7.7030 7.7283 7.7283 8.5191 8.5191 8.5674 8.5674 9.1664 9.1664 9.1867 9.1867 9.6223 9.6223 9.6617 9.6617 9.8649 9.8649 9.9036 9.9036 12.4702 12.4702 12.5181 12.5181 12.7793 12.7793 12.9664 12.9664 14.9262 14.9262 15.1109 15.1109 18.7729 18.7729 18.8185 18.8185 k = 0.1474 0.2554 0.3646 ( 4150 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6832 -40.6832 -40.6831 -40.6831 -36.2308 -36.2308 -36.2307 -36.2307 -36.2133 -36.2133 -36.2132 -36.2132 2.5686 2.5686 2.5724 2.5724 7.7396 7.7396 7.7644 7.7644 8.5252 8.5252 8.5726 8.5726 9.1609 9.1609 9.1796 9.1796 9.6228 9.6228 9.6647 9.6647 9.8525 9.8525 9.8913 9.8913 12.5530 12.5530 12.6126 12.6126 12.8662 12.8662 13.0707 13.0707 14.8773 14.8773 15.0651 15.0651 18.7504 18.7504 18.7939 18.7939 k = 0.1410 0.2443 0.3646 ( 4142 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6831 -40.6831 -36.2307 -36.2307 -36.2306 -36.2306 -36.2132 -36.2132 -36.2132 -36.2132 2.5287 2.5287 2.5320 2.5320 7.7777 7.7777 7.8020 7.8020 8.5306 8.5306 8.5771 8.5771 9.1543 9.1543 9.1715 9.1715 9.6241 9.6241 9.6679 9.6679 9.8413 9.8413 9.8800 9.8800 12.6247 12.6247 12.6856 12.6856 12.9705 12.9705 13.1815 13.1815 14.8374 14.8374 15.0279 15.0279 18.7317 18.7317 18.7731 18.7731 k = 0.1346 0.2332 0.3646 ( 4142 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6831 -40.6831 -36.2306 -36.2306 -36.2305 -36.2305 -36.2132 -36.2132 -36.2132 -36.2132 2.4896 2.4896 2.4924 2.4924 7.8170 7.8170 7.8410 7.8410 8.5354 8.5354 8.5809 8.5809 9.1465 9.1465 9.1624 9.1624 9.6262 9.6262 9.6711 9.6711 9.8312 9.8312 9.8697 9.8697 12.6845 12.6845 12.7386 12.7386 13.0897 13.0897 13.2980 13.2980 14.8076 14.8076 14.9999 14.9999 18.7172 18.7172 18.7563 18.7563 k = 0.1282 0.2221 0.3646 ( 4142 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6830 -40.6830 -36.2305 -36.2305 -36.2304 -36.2304 -36.2132 -36.2132 -36.2132 -36.2132 2.4514 2.4514 2.4539 2.4539 7.8575 7.8575 7.8810 7.8810 8.5396 8.5396 8.5840 8.5840 9.1377 9.1377 9.1525 9.1525 9.6290 9.6290 9.6745 9.6745 9.8223 9.8223 9.8603 9.8603 12.7324 12.7324 12.7761 12.7761 13.2181 13.2181 13.4190 13.4190 14.7888 14.7888 14.9817 14.9817 18.7074 18.7074 18.7440 18.7440 k = 0.1218 0.2110 0.3646 ( 4152 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6831 -40.6831 -40.6830 -40.6830 -36.2304 -36.2304 -36.2304 -36.2304 -36.2132 -36.2132 -36.2132 -36.2132 2.4144 2.4144 2.4165 2.4165 7.8990 7.8990 7.9220 7.9220 8.5431 8.5431 8.5862 8.5862 9.1280 9.1280 9.1419 9.1419 9.6325 9.6325 9.6778 9.6778 9.8144 9.8144 9.8517 9.8517 12.7686 12.7686 12.8016 12.8016 13.3518 13.3518 13.5433 13.5433 14.7814 14.7814 14.9734 14.9734 18.7025 18.7025 18.7365 18.7365 k = 0.1154 0.1999 0.3646 ( 4152 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2303 -36.2303 -36.2303 -36.2303 -36.2132 -36.2132 -36.2132 -36.2132 2.3785 2.3785 2.3803 2.3803 7.9412 7.9412 7.9638 7.9638 8.5460 8.5460 8.5877 8.5877 9.1176 9.1176 9.1306 9.1306 9.6368 9.6368 9.6812 9.6812 9.8076 9.8076 9.8438 9.8438 12.7938 12.7938 12.8171 12.8171 13.4882 13.4882 13.6696 13.6696 14.7857 14.7857 14.9750 14.9750 18.7030 18.7030 18.7342 18.7342 k = 0.1090 0.1887 0.3646 ( 4152 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6830 -40.6830 -36.2302 -36.2302 -36.2302 -36.2302 -36.2132 -36.2132 -36.2132 -36.2132 2.3440 2.3440 2.3455 2.3455 7.9840 7.9840 8.0061 8.0061 8.5483 8.5483 8.5885 8.5885 9.1065 9.1065 9.1187 9.1187 9.6417 9.6417 9.6847 9.6847 9.8017 9.8017 9.8365 9.8365 12.8085 12.8085 12.8239 12.8239 13.6259 13.6259 13.7970 13.7970 14.8015 14.8015 14.9861 14.9861 18.7093 18.7093 18.7375 18.7375 k = 0.1026 0.1776 0.3646 ( 4148 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6830 -40.6830 -40.6829 -40.6829 -36.2302 -36.2302 -36.2301 -36.2301 -36.2132 -36.2132 -36.2132 -36.2132 2.3110 2.3110 2.3122 2.3122 8.0273 8.0273 8.0488 8.0488 8.5500 8.5500 8.5885 8.5885 9.0949 9.0949 9.1062 9.1062 9.6472 9.6472 9.6881 9.6881 9.7966 9.7966 9.8297 9.8297 12.8137 12.8137 12.8231 12.8231 13.7638 13.7638 13.9244 13.9244 14.8282 14.8282 15.0060 15.0060 18.7217 18.7217 18.7466 18.7466 k = 0.0962 0.1665 0.3646 ( 4144 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2301 -36.2301 -36.2300 -36.2300 -36.2132 -36.2132 -36.2132 -36.2132 2.2795 2.2795 2.2805 2.2805 8.0707 8.0707 8.0916 8.0916 8.5512 8.5512 8.5879 8.5879 9.0827 9.0827 9.0933 9.0933 9.6531 9.6531 9.6915 9.6915 9.7923 9.7923 9.8234 9.8234 12.8107 12.8107 12.8156 12.8156 13.9011 13.9011 14.0509 14.0509 14.8647 14.8647 15.0337 15.0337 18.7407 18.7407 18.7619 18.7619 k = 0.0897 0.1554 0.3646 ( 4152 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2300 -36.2300 -36.2299 -36.2299 -36.2132 -36.2132 -36.2132 -36.2132 2.2496 2.2496 2.2504 2.2504 8.1141 8.1141 8.1344 8.1344 8.5518 8.5518 8.5866 8.5866 9.0700 9.0700 9.0798 9.0798 9.6594 9.6594 9.6949 9.6949 9.7886 9.7886 9.8174 9.8174 12.8007 12.8007 12.8026 12.8026 14.0371 14.0371 14.1755 14.1755 14.9098 14.9098 15.0681 15.0681 18.7665 18.7665 18.7835 18.7835 k = 0.0833 0.1443 0.3646 ( 4160 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2299 -36.2299 -36.2299 -36.2299 -36.2132 -36.2132 -36.2132 -36.2132 2.2214 2.2214 2.2220 2.2220 8.1572 8.1572 8.1769 8.1769 8.5521 8.5521 8.5848 8.5848 9.0569 9.0569 9.0659 9.0659 9.6660 9.6660 9.6983 9.6983 9.7853 9.7853 9.8117 9.8117 12.7852 12.7852 12.7852 12.7852 14.1709 14.1709 14.2975 14.2975 14.9619 14.9619 15.1079 15.1079 18.7995 18.7995 18.8113 18.8113 k = 0.0769 0.1332 0.3646 ( 4164 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6829 -40.6829 -40.6829 -40.6829 -36.2298 -36.2298 -36.2298 -36.2298 -36.2132 -36.2132 -36.2132 -36.2132 2.1950 2.1950 2.1955 2.1955 8.1999 8.1999 8.2188 8.2188 8.5520 8.5520 8.5825 8.5825 9.0434 9.0434 9.0516 9.0516 9.6729 9.6729 9.7017 9.7017 9.7825 9.7825 9.8063 9.8063 12.7644 12.7644 12.7655 12.7655 14.3019 14.3019 14.4160 14.4160 15.0198 15.0198 15.1519 15.1519 18.8400 18.8400 18.8448 18.8448 k = 0.0705 0.1221 0.3646 ( 4156 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6828 -40.6828 -40.6828 -40.6828 -36.2298 -36.2298 -36.2297 -36.2297 -36.2132 -36.2132 -36.2132 -36.2132 2.1705 2.1705 2.1709 2.1709 8.2419 8.2419 8.2601 8.2601 8.5517 8.5517 8.5799 8.5799 9.0296 9.0296 9.0369 9.0369 9.6800 9.6800 9.7051 9.7051 9.7800 9.7800 9.8010 9.8010 12.7415 12.7415 12.7430 12.7430 14.4291 14.4291 14.5299 14.5299 15.0820 15.0820 15.1989 15.1989 18.8813 18.8813 18.8878 18.8878 k = 0.0641 0.1110 0.3646 ( 4156 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6828 -40.6828 -40.6828 -40.6828 -36.2297 -36.2297 -36.2297 -36.2297 -36.2132 -36.2132 -36.2132 -36.2132 2.1479 2.1479 2.1482 2.1482 8.2830 8.2830 8.3002 8.3002 8.5512 8.5512 8.5771 8.5771 9.0154 9.0154 9.0218 9.0218 9.6870 9.6870 9.7085 9.7085 9.7778 9.7778 9.7960 9.7960 12.7172 12.7172 12.7188 12.7188 14.5513 14.5513 14.6382 14.6382 15.1471 15.1471 15.2477 15.2477 18.9111 18.9111 18.9421 18.9421 k = 0.0577 0.0999 0.3646 ( 4162 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6828 -40.6828 -40.6828 -40.6828 -36.2296 -36.2296 -36.2296 -36.2296 -36.2132 -36.2132 -36.2132 -36.2132 2.1273 2.1273 2.1275 2.1275 8.3227 8.3227 8.3389 8.3389 8.5506 8.5506 8.5741 8.5741 9.0009 9.0009 9.0064 9.0064 9.6940 9.6940 9.7120 9.7120 9.7756 9.7756 9.7910 9.7910 12.6925 12.6925 12.6940 12.6940 14.6671 14.6671 14.7396 14.7396 15.2138 15.2138 15.2976 15.2976 18.9077 18.9077 18.9484 18.9484 k = 0.0513 0.0888 0.3646 ( 4166 PWs) bands (ev): -71.8444 -71.8444 -71.8444 -71.8444 -40.6828 -40.6828 -40.6828 -40.6828 -36.2296 -36.2296 -36.2296 -36.2296 -36.2132 -36.2132 -36.2132 -36.2132 2.1087 2.1087 2.1089 2.1089 8.3609 8.3609 8.3760 8.3760 8.5501 8.5501 8.5710 8.5710 8.9863 8.9863 8.9908 8.9908 9.7010 9.7010 9.7155 9.7155 9.7735 9.7735 9.7861 9.7861 12.6684 12.6684 12.6696 12.6696 14.7752 14.7752 14.8329 14.8329 15.2811 15.2811 15.3477 15.3477 18.8648 18.8648 18.8824 18.8824 k = 0.0449 0.0777 0.3646 ( 4178 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2132 -36.2132 -36.2132 -36.2132 2.0923 2.0923 2.0924 2.0924 8.3970 8.3970 8.4109 8.4109 8.5497 8.5497 8.5680 8.5680 8.9715 8.9715 8.9751 8.9751 9.7077 9.7077 9.7190 9.7190 9.7713 9.7713 9.7813 9.7813 12.6453 12.6453 12.6462 12.6462 14.8737 14.8737 14.9171 14.9171 15.3476 15.3476 15.3975 15.3975 18.8063 18.8063 18.8145 18.8145 k = 0.0385 0.0666 0.3646 ( 4190 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2132 -36.2132 -36.2132 -36.2132 2.0779 2.0779 2.0779 2.0779 8.4307 8.4307 8.4430 8.4430 8.5496 8.5496 8.5652 8.5652 8.9570 8.9570 8.9596 8.9596 9.7141 9.7141 9.7225 9.7225 9.7690 9.7690 9.7765 9.7765 12.6241 12.6241 12.6247 12.6247 14.9609 14.9609 14.9910 14.9910 15.4118 15.4118 15.4463 15.4463 18.7440 18.7440 18.7479 18.7479 k = 0.0321 0.0555 0.3646 ( 4190 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2295 -36.2295 -36.2295 -36.2295 -36.2132 -36.2132 -36.2132 -36.2132 2.0657 2.0657 2.0657 2.0657 8.4613 8.4613 8.4718 8.4718 8.5501 8.5501 8.5628 8.5628 8.9429 8.9429 8.9447 8.9447 9.7204 9.7204 9.7262 9.7262 9.7667 9.7667 9.7719 9.7719 12.6053 12.6053 12.6057 12.6057 15.0354 15.0354 15.0541 15.0541 15.4717 15.4717 15.4932 15.4932 18.6830 18.6830 18.6847 18.6847 k = 0.0256 0.0444 0.3646 ( 4198 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6828 -40.6828 -40.6828 -40.6828 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0556 2.0556 2.0557 2.0557 8.4878 8.4878 8.4961 8.4961 8.5516 8.5516 8.5611 8.5611 8.9298 8.9298 8.9308 8.9308 9.7262 9.7262 9.7298 9.7298 9.7641 9.7641 9.7674 9.7674 12.5892 12.5892 12.5894 12.5894 15.0959 15.0959 15.1060 15.1060 15.5251 15.5251 15.5368 15.5368 18.6269 18.6269 18.6275 18.6275 k = 0.0192 0.0333 0.3646 ( 4206 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0478 2.0478 2.0478 2.0478 8.5092 8.5092 8.5146 8.5146 8.5546 8.5546 8.5605 8.5605 8.9182 8.9182 8.9187 8.9187 9.7314 9.7314 9.7334 9.7334 9.7613 9.7613 9.7632 9.7632 12.5763 12.5763 12.5764 12.5764 15.1422 15.1422 15.1466 15.1466 15.5697 15.5697 15.5748 15.5749 18.5789 18.5789 18.5791 18.5791 k = 0.0128 0.0222 0.3646 ( 4214 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0422 2.0422 2.0422 2.0422 8.5240 8.5240 8.5261 8.5261 8.5593 8.5593 8.5616 8.5616 8.9090 8.9090 8.9092 8.9092 9.7360 9.7360 9.7368 9.7368 9.7585 9.7585 9.7593 9.7593 12.5669 12.5669 12.5670 12.5670 15.1744 15.1744 15.1757 15.1757 15.6033 15.6033 15.6049 15.6049 18.5422 18.5422 18.5423 18.5423 k = 0.0064 0.0111 0.3646 ( 4210 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2131 -36.2131 -36.2131 -36.2131 2.0388 2.0388 2.0388 2.0388 8.5315 8.5315 8.5318 8.5318 8.5639 8.5639 8.5642 8.5642 8.9030 8.9030 8.9031 8.9031 9.7395 9.7395 9.7396 9.7396 9.7562 9.7562 9.7563 9.7563 12.5612 12.5612 12.5612 12.5612 15.1932 15.1932 15.1934 15.1934 15.6241 15.6241 15.6243 15.6243 18.5191 18.5191 18.5191 18.5191 k = 0.0000 0.0000 0.3646 ( 4214 PWs) bands (ev): -71.8445 -71.8445 -71.8445 -71.8445 -40.6827 -40.6827 -40.6827 -40.6827 -36.2294 -36.2294 -36.2294 -36.2294 -36.2132 -36.2132 -36.2132 -36.2132 2.0377 2.0377 2.0377 2.0377 8.5335 8.5335 8.5335 8.5335 8.5657 8.5657 8.5657 8.5657 8.9009 8.9009 8.9009 8.9009 9.7409 9.7409 9.7409 9.7409 9.7550 9.7550 9.7550 9.7550 12.5593 12.5593 12.5593 12.5593 15.1994 15.1994 15.1994 15.1994 15.6311 15.6311 15.6311 15.6311 18.5112 18.5112 18.5112 18.5112 k = 0.5000 0.2887 0.3646 ( 4108 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6835 -40.6835 -40.6835 -40.6835 -36.2321 -36.2321 -36.2321 -36.2321 -36.2133 -36.2133 -36.2133 -36.2133 3.2188 3.2188 3.2188 3.2188 7.1369 7.1369 7.1369 7.1369 8.6171 8.6171 8.6171 8.6171 9.1182 9.1182 9.1182 9.1182 9.8385 9.8385 9.8385 9.8385 10.0715 10.0715 10.0715 10.0715 10.4212 10.4212 10.4212 10.4212 13.5190 13.5190 13.5190 13.5190 14.9650 14.9650 14.9650 14.9650 17.6448 17.6448 17.6448 17.6448 k = 0.5000 0.2887 0.3520 ( 4114 PWs) bands (ev): -71.8447 -71.8447 -71.8438 -71.8438 -40.6847 -40.6847 -40.6824 -40.6824 -36.2327 -36.2327 -36.2315 -36.2315 -36.2169 -36.2169 -36.2097 -36.2097 3.2166 3.2166 3.2202 3.2202 7.0987 7.0987 7.1771 7.1771 8.5710 8.5710 8.6637 8.6637 9.0764 9.0764 9.1600 9.1600 9.8193 9.8193 9.8581 9.8581 10.0633 10.0633 10.0815 10.0815 10.4078 10.4078 10.4353 10.4353 13.4020 13.4020 13.6373 13.6373 14.8595 14.8595 15.0686 15.0686 17.5410 17.5410 17.7357 17.7357 k = 0.5000 0.2887 0.3394 ( 4110 PWs) bands (ev): -71.8451 -71.8451 -71.8434 -71.8434 -40.6858 -40.6858 -40.6813 -40.6813 -36.2333 -36.2333 -36.2310 -36.2310 -36.2205 -36.2205 -36.2061 -36.2061 3.2138 3.2138 3.2208 3.2208 7.0625 7.0625 7.2195 7.2195 8.5258 8.5258 8.7103 8.7103 9.0353 9.0353 9.2013 9.2013 9.8015 9.8015 9.8774 9.8774 10.0577 10.0577 10.0932 10.0932 10.3955 10.3955 10.4501 10.4501 13.2866 13.2866 13.7571 13.7571 14.7522 14.7522 15.1697 15.1697 17.4274 17.4274 17.8114 17.8114 k = 0.5000 0.2887 0.3269 ( 4122 PWs) bands (ev): -71.8455 -71.8455 -71.8430 -71.8430 -40.6869 -40.6869 -40.6803 -40.6803 -36.2339 -36.2339 -36.2304 -36.2304 -36.2240 -36.2240 -36.2025 -36.2025 3.2102 3.2102 3.2207 3.2207 7.0285 7.0285 7.2639 7.2639 8.4817 8.4817 8.7554 8.7554 8.9964 8.9964 9.2419 9.2419 9.7854 9.7854 9.8949 9.8949 10.0552 10.0552 10.1062 10.1062 10.3847 10.3847 10.4653 10.4653 13.1727 13.1727 13.8780 13.8780 14.6438 14.6438 15.2677 15.2677 17.3071 17.3071 17.8704 17.8704 k = 0.5000 0.2887 0.3143 ( 4126 PWs) bands (ev): -71.8459 -71.8459 -71.8426 -71.8426 -40.6880 -40.6880 -40.6792 -40.6792 -36.2345 -36.2345 -36.2301 -36.2301 -36.2273 -36.2273 -36.1989 -36.1989 3.2061 3.2061 3.2198 3.2198 6.9965 6.9965 7.3102 7.3102 8.4387 8.4387 8.7957 8.7957 8.9637 8.9637 9.2815 9.2815 9.7715 9.7715 9.9093 9.9093 10.0564 10.0564 10.1204 10.1204 10.3760 10.3760 10.4807 10.4807 13.0604 13.0604 13.9994 13.9994 14.5351 14.5351 15.3620 15.3620 17.1833 17.1833 17.9123 17.9123 k = 0.5000 0.2887 0.3017 ( 4130 PWs) bands (ev): -71.8463 -71.8463 -71.8422 -71.8422 -40.6890 -40.6890 -40.6781 -40.6781 -36.2351 -36.2351 -36.2316 -36.2316 -36.2287 -36.2287 -36.1954 -36.1954 3.2013 3.2013 3.2181 3.2181 6.9664 6.9664 7.3585 7.3585 8.3970 8.3970 8.8198 8.8198 8.9485 8.9485 9.3200 9.3200 9.7598 9.7598 9.9197 9.9197 10.0616 10.0616 10.1354 10.1354 10.3701 10.3701 10.4963 10.4963 12.9497 12.9497 14.1190 14.1190 14.4286 14.4286 15.4514 15.4514 17.0594 17.0594 17.9379 17.9379 k = 0.5000 0.2887 0.2891 ( 4130 PWs) bands (ev): -71.8467 -71.8467 -71.8418 -71.8418 -40.6901 -40.6901 -40.6771 -40.6771 -36.2356 -36.2356 -36.2348 -36.2348 -36.2284 -36.2284 -36.1919 -36.1919 3.1960 3.1960 3.2158 3.2158 6.9383 6.9383 7.4085 7.4085 8.3567 8.3567 8.8129 8.8129 8.9657 8.9657 9.3574 9.3574 9.7507 9.7507 9.9261 9.9261 10.0702 10.0702 10.1504 10.1504 10.3681 10.3681 10.5119 10.5119 12.8406 12.8406 14.2153 14.2153 14.3461 14.3461 15.5340 15.5340 16.9394 16.9394 17.9491 17.9491 k = 0.5000 0.2887 0.2766 ( 4140 PWs) bands (ev): -71.8471 -71.8471 -71.8414 -71.8414 -40.6912 -40.6912 -40.6761 -40.6761 -36.2381 -36.2381 -36.2362 -36.2362 -36.2279 -36.2279 -36.1885 -36.1885 3.1902 3.1902 3.2128 3.2128 6.9120 6.9120 7.4600 7.4600 8.3177 8.3177 8.7853 8.7853 9.0053 9.0053 9.3935 9.3935 9.7441 9.7441 9.9292 9.9292 10.0807 10.0807 10.1641 10.1641 10.3712 10.3712 10.5273 10.5273 12.7330 12.7330 14.1719 14.1719 14.4040 14.4040 15.6071 15.6071 16.8277 16.8277 17.9480 17.9480 k = 0.5000 0.2887 0.2640 ( 4144 PWs) bands (ev): -71.8475 -71.8475 -71.8410 -71.8410 -40.6922 -40.6922 -40.6751 -40.6751 -36.2414 -36.2414 -36.2367 -36.2367 -36.2273 -36.2273 -36.1851 -36.1851 3.1840 3.1840 3.2091 3.2091 6.8874 6.8874 7.5130 7.5130 8.2802 8.2802 8.7509 8.7509 9.0532 9.0532 9.4286 9.4286 9.7399 9.7399 9.9303 9.9303 10.0919 10.0919 10.1757 10.1757 10.3803 10.3803 10.5426 10.5426 12.6270 12.6270 14.0673 14.0673 14.5241 14.5241 15.6663 15.6663 16.7303 16.7303 17.9372 17.9372 k = 0.5000 0.2887 0.2514 ( 4138 PWs) bands (ev): -71.8479 -71.8479 -71.8407 -71.8407 -40.6932 -40.6932 -40.6741 -40.6741 -36.2446 -36.2446 -36.2373 -36.2373 -36.2268 -36.2268 -36.1818 -36.1818 3.1775 3.1775 3.2049 3.2049 6.8645 6.8645 7.5673 7.5673 8.2442 8.2442 8.7151 8.7151 9.1044 9.1044 9.4625 9.4625 9.7383 9.7383 9.9307 9.9307 10.1025 10.1025 10.1843 10.1843 10.3957 10.3957 10.5577 10.5577 12.5227 12.5227 13.9565 13.9565 14.6517 14.6517 15.7054 15.7054 16.6549 16.6549 17.9191 17.9191 k = 0.5000 0.2887 0.2389 ( 4138 PWs) bands (ev): -71.8482 -71.8482 -71.8403 -71.8403 -40.6942 -40.6942 -40.6732 -40.6732 -36.2477 -36.2477 -36.2378 -36.2378 -36.2263 -36.2263 -36.1786 -36.1786 3.1707 3.1707 3.2002 3.2002 6.8431 6.8431 7.6225 7.6225 8.2098 8.2098 8.6795 8.6795 9.1571 9.1571 9.4954 9.4954 9.7391 9.7391 9.9313 9.9313 10.1118 10.1118 10.1905 10.1905 10.4167 10.4167 10.5724 10.5724 12.4198 12.4198 13.8445 13.8445 14.7817 14.7817 15.7177 15.7177 16.6095 16.6095 17.8957 17.8957 k = 0.5000 0.2887 0.2263 ( 4136 PWs) bands (ev): -71.8486 -71.8486 -71.8399 -71.8399 -40.6951 -40.6951 -40.6722 -40.6722 -36.2507 -36.2507 -36.2383 -36.2383 -36.2258 -36.2258 -36.1755 -36.1755 3.1637 3.1637 3.1950 3.1950 6.8232 6.8232 7.6784 7.6784 8.1769 8.1769 8.6449 8.6449 9.2104 9.2104 9.5272 9.5272 9.7422 9.7422 9.9327 9.9327 10.1190 10.1190 10.1952 10.1952 10.4417 10.4417 10.5868 10.5868 12.3186 12.3186 13.7327 13.7327 14.9127 14.9127 15.6999 15.6999 16.5989 16.5989 17.8688 17.8688 k = 0.5000 0.2887 0.2137 ( 4140 PWs) bands (ev): -71.8489 -71.8489 -71.8396 -71.8396 -40.6960 -40.6960 -40.6714 -40.6714 -36.2536 -36.2536 -36.2388 -36.2388 -36.2253 -36.2253 -36.1725 -36.1725 3.1566 3.1566 3.1895 3.1895 6.8046 6.8046 7.7348 7.7348 8.1456 8.1456 8.6117 8.6117 9.2636 9.2636 9.5578 9.5578 9.7474 9.7474 9.9356 9.9356 10.1237 10.1237 10.2000 10.2000 10.4689 10.4689 10.6007 10.6007 12.2189 12.2189 13.6216 13.6216 15.0432 15.0432 15.6557 15.6557 16.6214 16.6214 17.8397 17.8397 k = 0.5000 0.2887 0.2011 ( 4136 PWs) bands (ev): -71.8492 -71.8492 -71.8393 -71.8393 -40.6969 -40.6969 -40.6705 -40.6705 -36.2563 -36.2563 -36.2392 -36.2392 -36.2249 -36.2249 -36.1697 -36.1697 3.1495 3.1495 3.1837 3.1837 6.7873 6.7873 7.7913 7.7913 8.1159 8.1159 8.5802 8.5802 9.3165 9.3165 9.5873 9.5873 9.7550 9.7550 9.9404 9.9404 10.1257 10.1257 10.2058 10.2058 10.4969 10.4969 10.6143 10.6143 12.1207 12.1207 13.5119 13.5119 15.1699 15.1699 15.5961 15.5961 16.6701 16.6701 17.8097 17.8097 k = 0.5000 0.2887 0.1886 ( 4144 PWs) bands (ev): -71.8496 -71.8496 -71.8390 -71.8390 -40.6978 -40.6978 -40.6697 -40.6697 -36.2590 -36.2590 -36.2397 -36.2397 -36.2244 -36.2244 -36.1669 -36.1669 3.1424 3.1424 3.1777 3.1777 6.7712 6.7712 7.8475 7.8475 8.0880 8.0880 8.5505 8.5505 9.3684 9.3684 9.6151 9.6151 9.7650 9.7650 9.9476 9.9476 10.1255 10.1255 10.2131 10.2131 10.5241 10.5241 10.6276 10.6276 12.0241 12.0241 13.4040 13.4040 15.2797 15.2797 15.5422 15.5422 16.7373 16.7373 17.7794 17.7794 k = 0.5000 0.2887 0.1760 ( 4146 PWs) bands (ev): -71.8499 -71.8499 -71.8387 -71.8387 -40.6986 -40.6986 -40.6690 -40.6690 -36.2615 -36.2615 -36.2401 -36.2401 -36.2240 -36.2240 -36.1643 -36.1643 3.1354 3.1354 3.1716 3.1716 6.7563 6.7563 7.9031 7.9031 8.0618 8.0618 8.5228 8.5228 9.4189 9.4189 9.6408 9.6408 9.7778 9.7778 9.9573 9.9573 10.1238 10.1238 10.2219 10.2219 10.5493 10.5493 10.6407 10.6407 11.9291 11.9291 13.2984 13.2984 15.3201 15.3201 15.5529 15.5529 16.8173 16.8173 17.7495 17.7495 k = 0.5000 0.2887 0.1634 ( 4140 PWs) bands (ev): -71.8501 -71.8501 -71.8384 -71.8384 -40.6993 -40.6993 -40.6682 -40.6682 -36.2639 -36.2639 -36.2405 -36.2405 -36.2236 -36.2236 -36.1618 -36.1618 3.1286 3.1286 3.1655 3.1655 6.7424 6.7424 7.9572 7.9572 8.0377 8.0377 8.4970 8.4970 9.4675 9.4675 9.6636 9.6636 9.7942 9.7942 9.9697 9.9697 10.1212 10.1212 10.2325 10.2325 10.5716 10.5716 10.6542 10.6542 11.8357 11.8357 13.1957 13.1957 15.2721 15.2721 15.6515 15.6515 16.9061 16.9061 17.7207 17.7207 k = 0.5000 0.2887 0.1509 ( 4142 PWs) bands (ev): -71.8504 -71.8504 -71.8381 -71.8381 -40.7000 -40.7000 -40.6676 -40.6676 -36.2661 -36.2661 -36.2409 -36.2409 -36.2232 -36.2232 -36.1595 -36.1595 3.1220 3.1220 3.1594 3.1594 6.7296 6.7296 8.0036 8.0036 8.0217 8.0217 8.4733 8.4733 9.5137 9.5137 9.6830 9.6830 9.8144 9.8144 9.9842 9.9842 10.1186 10.1186 10.2446 10.2446 10.5899 10.5899 10.6680 10.6680 11.7438 11.7438 13.0964 13.0964 15.1976 15.1976 15.7788 15.7788 17.0011 17.0011 17.6932 17.6932 k = 0.5000 0.2887 0.1383 ( 4138 PWs) bands (ev): -71.8506 -71.8506 -71.8379 -71.8379 -40.7007 -40.7007 -40.6669 -40.6669 -36.2682 -36.2682 -36.2412 -36.2412 -36.2229 -36.2229 -36.1574 -36.1574 3.1156 3.1156 3.1535 3.1535 6.7178 6.7178 7.9916 7.9916 8.0639 8.0639 8.4516 8.4516 9.5568 9.5568 9.6990 9.6990 9.8384 9.8384 10.0003 10.0003 10.1166 10.1166 10.2589 10.2589 10.6039 10.6039 10.6823 10.6823 11.6535 11.6535 13.0010 13.0010 15.1194 15.1194 15.9137 15.9137 17.1007 17.1007 17.6674 17.6674 k = 0.5000 0.2887 0.1257 ( 4140 PWs) bands (ev): -71.8509 -71.8509 -71.8377 -71.8377 -40.7013 -40.7013 -40.6664 -40.6664 -36.2701 -36.2701 -36.2416 -36.2416 -36.2226 -36.2226 -36.1554 -36.1554 3.1097 3.1097 3.1478 3.1478 6.7071 6.7071 7.9728 7.9728 8.1122 8.1122 8.4320 8.4320 9.5960 9.5960 9.7129 9.7129 9.8652 9.8652 10.0165 10.0165 10.1160 10.1160 10.2761 10.2761 10.6138 10.6138 10.6967 10.6967 11.5649 11.5649 12.9103 12.9103 15.0435 15.0435 16.0510 16.0510 17.2036 17.2036 17.6435 17.6435 k = 0.5000 0.2887 0.1131 ( 4132 PWs) bands (ev): -71.8511 -71.8511 -71.8375 -71.8375 -40.7019 -40.7019 -40.6658 -40.6658 -36.2718 -36.2718 -36.2419 -36.2419 -36.2223 -36.2223 -36.1535 -36.1535 3.1041 3.1041 3.1424 3.1424 6.6973 6.6973 7.9554 7.9554 8.1579 8.1579 8.4144 8.4144 9.6302 9.6302 9.7266 9.7266 9.8933 9.8933 10.0314 10.0314 10.1177 10.1177 10.2971 10.2971 10.6202 10.6202 10.7105 10.7105 11.4779 11.4779 12.8249 12.8249 14.9724 14.9724 16.1889 16.1889 17.3087 17.3087 17.6216 17.6216 k = 0.5000 0.2887 0.1006 ( 4140 PWs) bands (ev): -71.8512 -71.8512 -71.8373 -71.8373 -40.7024 -40.7024 -40.6654 -40.6654 -36.2734 -36.2734 -36.2421 -36.2421 -36.2220 -36.2220 -36.1519 -36.1519 3.0990 3.0990 3.1374 3.1374 6.6884 6.6884 7.9397 7.9397 8.2004 8.2004 8.3989 8.3989 9.6574 9.6574 9.7425 9.7425 9.9210 9.9210 10.0432 10.0432 10.1222 10.1222 10.3229 10.3229 10.6238 10.6238 10.7230 10.7230 11.3926 11.3926 12.7453 12.7453 14.9072 14.9072 16.3260 16.3260 17.4148 17.4148 17.6021 17.6021 k = 0.5000 0.2887 0.0880 ( 4138 PWs) bands (ev): -71.8514 -71.8514 -71.8371 -71.8371 -40.7028 -40.7028 -40.6649 -40.6649 -36.2748 -36.2748 -36.2424 -36.2424 -36.2218 -36.2218 -36.1504 -36.1504 3.0944 3.0944 3.1327 3.1327 6.6806 6.6806 7.9258 7.9258 8.2389 8.2389 8.3856 8.3856 9.6765 9.6765 9.7627 9.7627 9.9468 9.9468 10.0511 10.0511 10.1296 10.1296 10.3543 10.3543 10.6253 10.6253 10.7343 10.7343 11.3089 11.3089 12.6726 12.6726 14.8488 14.8488 16.4609 16.4609 17.5195 17.5195 17.5861 17.5861 k = 0.5000 0.2887 0.0754 ( 4146 PWs) bands (ev): -71.8516 -71.8516 -71.8370 -71.8370 -40.7032 -40.7032 -40.6646 -40.6646 -36.2760 -36.2760 -36.2426 -36.2426 -36.2216 -36.2216 -36.1491 -36.1491 3.0904 3.0904 3.1286 3.1286 6.6738 6.6738 7.9137 7.9137 8.2728 8.2728 8.3745 8.3745 9.6884 9.6884 9.7864 9.7864 9.9691 9.9691 10.0558 10.0558 10.1389 10.1389 10.3911 10.3911 10.6259 10.6259 10.7438 10.7438 11.2271 11.2271 12.6073 12.6073 14.7975 14.7975 16.5918 16.5918 17.5654 17.5654 17.6293 17.6293 k = 0.5000 0.2887 0.0629 ( 4130 PWs) bands (ev): -71.8517 -71.8517 -71.8368 -71.8368 -40.7035 -40.7035 -40.6642 -40.6642 -36.2770 -36.2770 -36.2427 -36.2427 -36.2214 -36.2214 -36.1480 -36.1480 3.0869 3.0869 3.1250 3.1250 6.6681 6.6681 7.9036 7.9036 8.3013 8.3013 8.3663 8.3663 9.6956 9.6956 9.8115 9.8115 9.9871 9.9871 10.0583 10.0583 10.1490 10.1490 10.4323 10.4323 10.6269 10.6269 10.7517 10.7517 11.1473 11.1473 12.5504 12.5504 14.7539 14.7539 16.7166 16.7166 17.5542 17.5542 17.7279 17.7279 k = 0.5000 0.2887 0.0503 ( 4132 PWs) bands (ev): -71.8518 -71.8518 -71.8367 -71.8367 -40.7038 -40.7038 -40.6640 -40.6640 -36.2779 -36.2779 -36.2429 -36.2429 -36.2212 -36.2212 -36.1471 -36.1471 3.0840 3.0840 3.1221 3.1221 6.6633 6.6633 7.8952 7.8952 8.3224 8.3224 8.3623 8.3623 9.6999 9.6999 9.8355 9.8355 10.0000 10.0000 10.0592 10.0592 10.1591 10.1591 10.4749 10.4749 10.6311 10.6311 10.7580 10.7580 11.0694 11.0694 12.5025 12.5025 14.7180 14.7180 16.8318 16.8318 17.5439 17.5439 17.8204 17.8204 k = 0.5000 0.2887 0.0377 ( 4132 PWs) bands (ev): -71.8518 -71.8518 -71.8367 -71.8367 -40.7040 -40.7040 -40.6638 -40.6638 -36.2785 -36.2785 -36.2430 -36.2430 -36.2211 -36.2211 -36.1464 -36.1464 3.0817 3.0817 3.1197 3.1197 6.6596 6.6596 7.8887 7.8887 8.3326 8.3326 8.3658 8.3658 9.7026 9.7026 9.8569 9.8569 10.0086 10.0086 10.0588 10.0588 10.1685 10.1685 10.5132 10.5132 10.6439 10.6439 10.7628 10.7628 10.9940 10.9940 12.4644 12.4644 14.6901 14.6901 16.9329 16.9329 17.5358 17.5358 17.9009 17.9009 k = 0.5000 0.2887 0.0251 ( 4128 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7042 -40.7042 -40.6636 -40.6636 -36.2790 -36.2790 -36.2431 -36.2431 -36.2210 -36.2210 -36.1459 -36.1459 3.0801 3.0801 3.1180 3.1180 6.6569 6.6569 7.8840 7.8840 8.3342 8.3342 8.3742 8.3742 9.7042 9.7042 9.8741 9.8741 10.0136 10.0136 10.0577 10.0577 10.1763 10.1763 10.5392 10.5392 10.6727 10.6727 10.7663 10.7663 10.9217 10.9217 12.4367 12.4367 14.6700 14.6700 17.0135 17.0135 17.5300 17.5300 17.9635 17.9635 k = 0.5000 0.2887 0.0126 ( 4118 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2793 -36.2793 -36.2431 -36.2431 -36.2210 -36.2210 -36.1456 -36.1456 3.0791 3.0791 3.1170 3.1170 6.6553 6.6553 7.8812 7.8812 8.3336 8.3336 8.3809 8.3809 9.7051 9.7051 9.8853 9.8853 10.0161 10.0161 10.0565 10.0565 10.1815 10.1815 10.5513 10.5513 10.7167 10.7167 10.7693 10.7693 10.8541 10.8541 12.4199 12.4199 14.6580 14.6580 17.0663 17.0663 17.5266 17.5266 18.0031 18.0031 k = 0.5000 0.2887-0.0000 ( 4122 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6635 -40.6635 -36.2794 -36.2794 -36.2431 -36.2431 -36.2210 -36.2210 -36.1455 -36.1455 3.0787 3.0787 3.1166 3.1166 6.6548 6.6548 7.8803 7.8803 8.3332 8.3332 8.3833 8.3833 9.7054 9.7054 9.8892 9.8892 10.0168 10.0168 10.0559 10.0559 10.1833 10.1833 10.5545 10.5545 10.7492 10.7492 10.7764 10.7764 10.8083 10.8083 12.4142 12.4142 14.6540 14.6540 17.0848 17.0848 17.5255 17.5255 18.0165 18.0165 k = 0.3333 0.5774-0.0000 ( 4140 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7044 -40.7044 -40.6637 -40.6637 -36.2794 -36.2794 -36.2436 -36.2436 -36.2213 -36.2213 -36.1456 -36.1456 3.2854 3.2854 3.3110 3.3110 6.8576 6.8576 7.5965 7.5965 7.6330 7.6330 8.7981 8.7981 8.9282 8.9282 9.1648 9.1648 9.8430 9.8430 10.2246 10.2246 10.5782 10.5782 10.7407 10.7407 10.7616 10.7616 11.1883 11.1883 12.5054 12.5054 12.5758 12.5758 13.6531 13.6531 13.6891 13.6891 16.4961 16.4961 20.4728 20.4728 k = 0.3333 0.5774 0.0126 ( 4125 PWs) bands (ev): -71.8519 -71.8519 -71.8365 -71.8365 -40.7043 -40.7043 -40.6637 -40.6637 -36.2793 -36.2793 -36.2435 -36.2435 -36.2213 -36.2213 -36.1457 -36.1457 3.2856 3.2856 3.3112 3.3112 6.8596 6.8596 7.5965 7.5965 7.6331 7.6331 8.7977 8.7977 8.9281 8.9281 9.1653 9.1653 9.8430 9.8430 10.2238 10.2238 10.5788 10.5788 10.7407 10.7407 10.7599 10.7599 11.1823 11.1823 12.4960 12.4960 12.5665 12.5665 13.6662 13.6662 13.7024 13.7024 16.5043 16.5043 20.4734 20.4734 k = 0.3333 0.5774 0.0251 ( 4125 PWs) bands (ev): -71.8519 -71.8519 -71.8366 -71.8366 -40.7043 -40.7043 -40.6638 -40.6638 -36.2790 -36.2790 -36.2435 -36.2435 -36.2213 -36.2213 -36.1460 -36.1460 3.2861 3.2861 3.3117 3.3117 6.8658 6.8658 7.5964 7.5964 7.6334 7.6334 8.7965 8.7965 8.9276 8.9276 9.1669 9.1669 9.8429 9.8429 10.2215 10.2215 10.5806 10.5806 10.7405 10.7405 10.7546 10.7546 11.1645 11.1645 12.4688 12.4688 12.5399 12.5399 13.7042 13.7042 13.7409 13.7409 16.5285 16.5285 20.4749 20.4749 k = 0.3333 0.5774 0.0377 ( 4137 PWs) bands (ev): -71.8518 -71.8518 -71.8366 -71.8366 -40.7041 -40.7041 -40.6640 -40.6640 -36.2785 -36.2785 -36.2434 -36.2434 -36.2214 -36.2214 -36.1465 -36.1465 3.2870 3.2870 3.3126 3.3126 6.8760 6.8760 7.5962 7.5962 7.6336 7.6336 8.7944 8.7944 8.9267 8.9267 9.1696 9.1696 9.8427 9.8427 10.2176 10.2176 10.5834 10.5834 10.7401 10.7401 10.7456 10.7456 11.1353 11.1353 12.4272 12.4272 12.4990 12.4990 13.7639 13.7639 13.8013 13.8013 16.5685 16.5685 20.4775 20.4775 k = 0.3333 0.5774 0.0503 ( 4134 PWs) bands (ev): -71.8518 -71.8518 -71.8367 -71.8367 -40.7039 -40.7039 -40.6641 -40.6641 -36.2779 -36.2779 -36.2433 -36.2433 -36.2215 -36.2215 -36.1472 -36.1472 3.2882 3.2882 3.3138 3.3138 6.8903 6.8903 7.5959 7.5959 7.6341 7.6341 8.7916 8.7916 8.9254 8.9254 9.1737 9.1737 9.8424 9.8424 10.2122 10.2122 10.5874 10.5874 10.7329 10.7329 10.7397 10.7397 11.0954 11.0954 12.3748 12.3748 12.4480 12.4480 13.8415 13.8415 13.8798 13.8798 16.6236 16.6236 20.4811 20.4811 k = 0.3333 0.5774 0.0629 ( 4125 PWs) bands (ev): -71.8517 -71.8517 -71.8368 -71.8368 -40.7036 -40.7036 -40.6644 -40.6644 -36.2770 -36.2770 -36.2431 -36.2431 -36.2217 -36.2217 -36.1481 -36.1481 3.2898 3.2898 3.3154 3.3154 6.9086 6.9086 7.5956 7.5956 7.6348 7.6348 8.7882 8.7882 8.9235 8.9235 9.1792 9.1792 9.8418 9.8418 10.2051 10.2051 10.5925 10.5925 10.7163 10.7163 10.7393 10.7393 11.0461 11.0461 12.3153 12.3153 12.3903 12.3903 13.9334 13.9334 13.9728 13.9728 16.6932 16.6932 20.4857 20.4857 k = 0.3333 0.5774 0.0754 ( 4128 PWs) bands (ev): -71.8515 -71.8515 -71.8369 -71.8369 -40.7033 -40.7033 -40.6647 -40.6647 -36.2760 -36.2760 -36.2430 -36.2430 -36.2218 -36.2218 -36.1492 -36.1492 3.2916 3.2916 3.3172 3.3172 6.9311 6.9311 7.5951 7.5951 7.6354 7.6354 8.7842 8.7842 8.9210 8.9210 9.1862 9.1862 9.8410 9.8410 10.1964 10.1964 10.5986 10.5986 10.6951 10.6951 10.7388 10.7388 10.9888 10.9888 12.2513 12.2513 12.3285 12.3285 14.0367 14.0367 14.0772 14.0772 16.7764 16.7764 20.4912 20.4912 k = 0.3333 0.5774 0.0880 ( 4128 PWs) bands (ev): -71.8514 -71.8514 -71.8371 -71.8371 -40.7029 -40.7029 -40.6651 -40.6651 -36.2747 -36.2747 -36.2428 -36.2428 -36.2220 -36.2220 -36.1505 -36.1505 3.2937 3.2937 3.3194 3.3194 6.9575 6.9575 7.5945 7.5945 7.6362 7.6362 8.7797 8.7797 8.9179 8.9179 9.1951 9.1951 9.8399 9.8399 10.1861 10.1861 10.6056 10.6056 10.6686 10.6686 10.7386 10.7386 10.9256 10.9256 12.1851 12.1851 12.2649 12.2649 14.1490 14.1490 14.1909 14.1909 16.8722 16.8722 20.4976 20.4976 k = 0.3333 0.5774 0.1006 ( 4131 PWs) bands (ev): -71.8512 -71.8512 -71.8372 -71.8372 -40.7024 -40.7024 -40.6655 -40.6655 -36.2733 -36.2733 -36.2425 -36.2425 -36.2223 -36.2223 -36.1520 -36.1520 3.2961 3.2961 3.3218 3.3218 6.9879 6.9879 7.5937 7.5937 7.6369 7.6369 8.7748 8.7748 8.9141 8.9141 9.2058 9.2058 9.8384 9.8384 10.1743 10.1743 10.6104 10.6104 10.6378 10.6378 10.7388 10.7388 10.8596 10.8596 12.1180 12.1180 12.2008 12.2008 14.2688 14.2688 14.3122 14.3122 16.9796 16.9796 20.5049 20.5049 k = 0.3333 0.5774 0.1131 ( 4137 PWs) bands (ev): -71.8511 -71.8511 -71.8374 -71.8374 -40.7019 -40.7019 -40.6660 -40.6660 -36.2718 -36.2718 -36.2423 -36.2423 -36.2225 -36.2225 -36.1536 -36.1536 3.2988 3.2988 3.3244 3.3244 7.0222 7.0222 7.5927 7.5927 7.6377 7.6377 8.7697 8.7697 8.9096 8.9096 9.2183 9.2183 9.8363 9.8363 10.1609 10.1609 10.5833 10.5833 10.6290 10.6290 10.7392 10.7392 10.7953 10.7953 12.0513 12.0513 12.1372 12.1372 14.3948 14.3948 14.4400 14.4400 17.0978 17.0978 20.5129 20.5129 k = 0.3333 0.5774 0.1257 ( 4137 PWs) bands (ev): -71.8509 -71.8509 -71.8376 -71.8376 -40.7014 -40.7014 -40.6665 -40.6665 -36.2700 -36.2700 -36.2420 -36.2420 -36.2228 -36.2228 -36.1554 -36.1554 3.3016 3.3016 3.3273 3.3273 7.0605 7.0605 7.5915 7.5915 7.6384 7.6384 8.7645 8.7645 8.9047 8.9047 9.2329 9.2329 9.8338 9.8338 10.1462 10.1462 10.5259 10.5259 10.6362 10.6362 10.7382 10.7382 10.7402 10.7402 11.9855 11.9855 12.0747 12.0747 14.5260 14.5260 14.5732 14.5732 17.2256 17.2256 20.5216 20.5216 k = 0.3333 0.5774 0.1383 ( 4137 PWs) bands (ev): -71.8506 -71.8506 -71.8378 -71.8378 -40.7008 -40.7008 -40.6671 -40.6671 -36.2681 -36.2681 -36.2416 -36.2416 -36.2232 -36.2232 -36.1574 -36.1574 3.3046 3.3046 3.3303 3.3303 7.1027 7.1027 7.5902 7.5902 7.6391 7.6391 8.7593 8.7593 8.8993 8.8993 9.2495 9.2495 9.8306 9.8306 10.1302 10.1302 10.4520 10.4520 10.6388 10.6388 10.6959 10.6959 10.7418 10.7418 11.9214 11.9214 12.0140 12.0140 14.6617 14.6617 14.7111 14.7111 17.3621 17.3621 20.5308 20.5308 k = 0.3333 0.5774 0.1509 ( 4128 PWs) bands (ev): -71.8504 -71.8504 -71.8381 -71.8381 -40.7001 -40.7001 -40.6677 -40.6677 -36.2661 -36.2661 -36.2413 -36.2413 -36.2235 -36.2235 -36.1596 -36.1596 3.3078 3.3078 3.3335 3.3335 7.1486 7.1486 7.5886 7.5886 7.6398 7.6398 8.7542 8.7543 8.8935 8.8935 9.2681 9.2681 9.8268 9.8268 10.1131 10.1131 10.3651 10.3651 10.6191 10.6191 10.6841 10.6841 10.7441 10.7441 11.8592 11.8592 11.9551 11.9551 14.8011 14.8011 14.8532 14.8532 17.5065 17.5065 20.5405 20.5405 k = 0.3333 0.5774 0.1634 ( 4122 PWs) bands (ev): -71.8501 -71.8501 -71.8383 -71.8383 -40.6994 -40.6994 -40.6684 -40.6684 -36.2638 -36.2638 -36.2409 -36.2409 -36.2239 -36.2239 -36.1619 -36.1619 3.3111 3.3111 3.3368 3.3368 7.1984 7.1984 7.5868 7.5868 7.6404 7.6404 8.7494 8.7494 8.8877 8.8877 9.2886 9.2886 9.8224 9.8224 10.0951 10.0951 10.2690 10.2690 10.5834 10.5834 10.6929 10.6929 10.7472 10.7472 11.7992 11.7992 11.8984 11.8984 14.9436 14.9436 14.9987 14.9987 17.6580 17.6580 20.5504 20.5504 k = 0.3333 0.5774 0.1760 ( 4119 PWs) bands (ev): -71.8498 -71.8498 -71.8386 -71.8386 -40.6986 -40.6986 -40.6691 -40.6691 -36.2615 -36.2615 -36.2405 -36.2405 -36.2243 -36.2243 -36.1644 -36.1644 3.3144 3.3144 3.3401 3.3401 7.2518 7.2518 7.5849 7.5849 7.6410 7.6410 8.7449 8.7449 8.8818 8.8818 9.3108 9.3108 9.8173 9.8173 10.0761 10.0761 10.1669 10.1669 10.5452 10.5452 10.7070 10.7070 10.7511 10.7511 11.7417 11.7417 11.8440 11.8440 15.0886 15.0886 15.1472 15.1472 17.8156 17.8156 20.5601 20.5601 k = 0.3333 0.5774 0.1886 ( 4131 PWs) bands (ev): -71.8496 -71.8496 -71.8389 -71.8389 -40.6978 -40.6978 -40.6699 -40.6699 -36.2590 -36.2590 -36.2401 -36.2401 -36.2247 -36.2247 -36.1670 -36.1670 3.3178 3.3178 3.3435 3.3435 7.3087 7.3087 7.5827 7.5827 7.6415 7.6415 8.7407 8.7407 8.8759 8.8759 9.3346 9.3346 9.8115 9.8115 10.0490 10.0490 10.0681 10.0681 10.5064 10.5064 10.7230 10.7230 10.7559 10.7559 11.6865 11.6865 11.7917 11.7917 15.2356 15.2356 15.2980 15.2980 17.9786 17.9786 20.5694 20.5694 k = 0.3333 0.5774 0.2011 ( 4125 PWs) bands (ev): -71.8492 -71.8492 -71.8392 -71.8392 -40.6970 -40.6970 -40.6707 -40.6707 -36.2563 -36.2563 -36.2396 -36.2396 -36.2252 -36.2252 -36.1697 -36.1697 3.3212 3.3212 3.3469 3.3469 7.3690 7.3690 7.5803 7.5803 7.6422 7.6422 8.7369 8.7369 8.8703 8.8703 9.3600 9.3600 9.8052 9.8052 9.9485 9.9485 10.0399 10.0399 10.4671 10.4671 10.7405 10.7405 10.7619 10.7619 11.6340 11.6340 11.7419 11.7419 15.3838 15.3838 15.4507 15.4507 18.1463 18.1463 20.5776 20.5776 k = 0.3333 0.5774 0.2137 ( 4125 PWs) bands (ev): -71.8489 -71.8489 -71.8396 -71.8396 -40.6961 -40.6961 -40.6715 -40.6715 -36.2535 -36.2535 -36.2392 -36.2392 -36.2257 -36.2257 -36.1726 -36.1726 3.3245 3.3245 3.3502 3.3502 7.4322 7.4322 7.5778 7.5778 7.6434 7.6434 8.7337 8.7337 8.8650 8.8650 9.3861 9.3861 9.7984 9.7984 9.8379 9.8379 10.0203 10.0203 10.4274 10.4274 10.7587 10.7587 10.7687 10.7687 11.5843 11.5843 11.6944 11.6944 15.5327 15.5327 15.6046 15.6046 18.3178 18.3178 20.5832 20.5832 k = 0.3333 0.5774 0.2263 ( 4125 PWs) bands (ev): -71.8486 -71.8486 -71.8399 -71.8399 -40.6952 -40.6952 -40.6724 -40.6724 -36.2506 -36.2506 -36.2387 -36.2387 -36.2262 -36.2262 -36.1756 -36.1756 3.3277 3.3277 3.3535 3.3535 7.4975 7.4975 7.5752 7.5752 7.6458 7.6458 8.7309 8.7309 8.8602 8.8602 9.4122 9.4122 9.7272 9.7272 9.7913 9.7913 10.0013 10.0013 10.3873 10.3873 10.7764 10.7764 10.7776 10.7776 11.5372 11.5372 11.6493 11.6493 15.6815 15.6815 15.7590 15.7590 18.4924 18.4924 20.5831 20.5831 k = 0.3333 0.5774 0.2389 ( 4125 PWs) bands (ev): -71.8482 -71.8482 -71.8402 -71.8402 -40.6943 -40.6943 -40.6733 -40.6733 -36.2476 -36.2476 -36.2382 -36.2382 -36.2267 -36.2267 -36.1787 -36.1787 3.3308 3.3308 3.3566 3.3566 7.5614 7.5614 7.5726 7.5726 7.6530 7.6530 8.7286 8.7286 8.8557 8.8557 9.4348 9.4348 9.6206 9.6206 9.7841 9.7841 9.9830 9.9830 10.3468 10.3468 10.7850 10.7850 10.7968 10.7968 11.4930 11.4930 11.6067 11.6067 15.8291 15.8291 15.9129 15.9129 18.6691 18.6691 20.5654 20.5654 k = 0.3333 0.5774 0.2514 ( 4131 PWs) bands (ev): -71.8478 -71.8478 -71.8406 -71.8406 -40.6933 -40.6933 -40.6742 -40.6742 -36.2445 -36.2445 -36.2376 -36.2376 -36.2272 -36.2272 -36.1819 -36.1819 3.3337 3.3337 3.3595 3.3595 7.5699 7.5699 7.6078 7.6078 7.6807 7.6807 8.7268 8.7268 8.8516 8.8516 9.4320 9.4320 9.5402 9.5402 9.7767 9.7767 9.9655 9.9655 10.3060 10.3060 10.7945 10.7945 10.8162 10.8162 11.4516 11.4516 11.5666 11.5666 15.9744 15.9744 16.0653 16.0653 18.8469 18.8469 20.4916 20.4916 k = 0.3333 0.5774 0.2640 ( 4131 PWs) bands (ev): -71.8475 -71.8475 -71.8410 -71.8410 -40.6923 -40.6923 -40.6752 -40.6752 -36.2413 -36.2413 -36.2371 -36.2371 -36.2277 -36.2277 -36.1852 -36.1852 3.3365 3.3365 3.3623 3.3623 7.5674 7.5674 7.6231 7.6231 7.7427 7.7427 8.7254 8.7254 8.8479 8.8479 9.3561 9.3561 9.5342 9.5342 9.7695 9.7695 9.9491 9.9491 10.2655 10.2655 10.8044 10.8044 10.8355 10.8355 11.4132 11.4132 11.5291 11.5291 16.1160 16.1160 16.2149 16.2149 19.0246 19.0246 20.3551 20.3551 k = 0.3333 0.5774 0.2766 ( 4134 PWs) bands (ev): -71.8471 -71.8471 -71.8414 -71.8414 -40.6913 -40.6913 -40.6762 -40.6762 -36.2380 -36.2380 -36.2365 -36.2365 -36.2283 -36.2283 -36.1885 -36.1885 3.3390 3.3390 3.3648 3.3648 7.5649 7.5649 7.6271 7.6271 7.8189 7.8189 8.7244 8.7244 8.8445 8.8445 9.2513 9.2513 9.5585 9.5585 9.7626 9.7626 9.9340 9.9340 10.2253 10.2253 10.8148 10.8148 10.8545 10.8545 11.3780 11.3780 11.4945 11.4945 16.2521 16.2521 16.3598 16.3598 19.2004 19.2004 20.2024 20.2024 k = 0.3333 0.5774 0.2891 ( 4137 PWs) bands (ev): -71.8467 -71.8467 -71.8418 -71.8418 -40.6902 -40.6902 -40.6772 -40.6772 -36.2360 -36.2360 -36.2347 -36.2347 -36.2289 -36.2289 -36.1919 -36.1919 3.3412 3.3412 3.3671 3.3671 7.5627 7.5627 7.6284 7.6284 7.9007 7.9007 8.7236 8.7236 8.8410 8.8410 9.1430 9.1430 9.5882 9.5882 9.7562 9.7562 9.9204 9.9204 10.1859 10.1859 10.8252 10.8252 10.8727 10.8727 11.3462 11.3462 11.4628 11.4628 16.3806 16.3806 16.4978 16.4978 19.3717 19.3717 20.0535 20.0535 k = 0.3333 0.5774 0.3017 ( 4137 PWs) bands (ev): -71.8463 -71.8463 -71.8422 -71.8422 -40.6892 -40.6892 -40.6783 -40.6783 -36.2354 -36.2354 -36.2312 -36.2312 -36.2294 -36.2294 -36.1954 -36.1954 3.3432 3.3432 3.3690 3.3690 7.5607 7.5607 7.6287 7.6287 7.9861 7.9861 8.7232 8.7232 8.8366 8.8366 9.0361 9.0361 9.6190 9.6190 9.7505 9.7505 9.9086 9.9086 10.1480 10.1480 10.8355 10.8355 10.8897 10.8897 11.3180 11.3180 11.4346 11.4346 16.4988 16.4988 16.6262 16.6262 19.5326 19.5326 19.9197 19.9197 k = 0.3333 0.5774 0.3143 ( 4119 PWs) bands (ev): -71.8459 -71.8459 -71.8426 -71.8426 -40.6881 -40.6881 -40.6793 -40.6793 -36.2348 -36.2348 -36.2300 -36.2300 -36.2277 -36.2277 -36.1990 -36.1990 3.3448 3.3448 3.3706 3.3706 7.5590 7.5590 7.6288 7.6288 8.0739 8.0739 8.7230 8.7230 8.8270 8.8270 8.9363 8.9363 9.6490 9.6490 9.7456 9.7456 9.8988 9.8988 10.1126 10.1126 10.8450 10.8450 10.9051 10.9051 11.2940 11.2940 11.4103 11.4103 16.6035 16.6035 16.7412 16.7412 19.6526 19.6526 19.8337 19.8337 k = 0.3333 0.5774 0.3269 ( 4128 PWs) bands (ev): -71.8455 -71.8455 -71.8430 -71.8430 -40.6870 -40.6870 -40.6804 -40.6804 -36.2342 -36.2342 -36.2306 -36.2306 -36.2242 -36.2242 -36.2026 -36.2026 3.3461 3.3461 3.3719 3.3719 7.5576 7.5576 7.6286 7.6286 8.1631 8.1631 8.7229 8.7229 8.7872 8.7872 8.8700 8.8700 9.6767 9.6767 9.7415 9.7415 9.8909 9.8909 10.0806 10.0806 10.8532 10.8532 10.9181 10.9181 11.2745 11.2745 11.3902 11.3902 16.6908 16.6908 16.8384 16.8384 19.6314 19.6314 19.7677 19.7677 k = 0.3333 0.5774 0.3394 ( 4128 PWs) bands (ev): -71.8451 -71.8451 -71.8434 -71.8434 -40.6859 -40.6859 -40.6815 -40.6815 -36.2337 -36.2337 -36.2312 -36.2312 -36.2206 -36.2206 -36.2062 -36.2062 3.3470 3.3470 3.3729 3.3729 7.5565 7.5565 7.6284 7.6284 8.2514 8.2514 8.7036 8.7036 8.7228 8.7228 8.8532 8.8532 9.6998 9.6998 9.7386 9.7386 9.8854 9.8854 10.0544 10.0544 10.8597 10.8597 10.9281 10.9281 11.2600 11.2600 11.3753 11.3753 16.7570 16.7570 16.9131 16.9131 19.5633 19.5633 19.6953 19.6953 k = 0.3333 0.5774 0.3520 ( 4122 PWs) bands (ev): -71.8446 -71.8446 -71.8438 -71.8438 -40.6848 -40.6848 -40.6826 -40.6826 -36.2331 -36.2331 -36.2318 -36.2318 -36.2170 -36.2170 -36.2098 -36.2098 3.3476 3.3476 3.3734 3.3734 7.5559 7.5559 7.6283 7.6283 8.3314 8.3314 8.6204 8.6204 8.7228 8.7228 8.8491 8.8491 9.7157 9.7157 9.7368 9.7368 9.8821 9.8821 10.0368 10.0368 10.8639 10.8639 10.9345 10.9345 11.2510 11.2510 11.3660 11.3660 16.7985 16.7985 16.9603 16.9603 19.5153 19.5153 19.6501 19.6501 k = 0.3333 0.5774 0.3646 ( 4116 PWs) bands (ev): -71.8442 -71.8442 -71.8442 -71.8442 -40.6838 -40.6838 -40.6835 -40.6835 -36.2327 -36.2327 -36.2322 -36.2322 -36.2135 -36.2135 -36.2133 -36.2133 3.3478 3.3478 3.3736 3.3736 7.5557 7.5557 7.6283 7.6283 8.3721 8.3721 8.5783 8.5783 8.7228 8.7228 8.8481 8.8481 9.7214 9.7214 9.7362 9.7362 9.8810 9.8810 10.0304 10.0304 10.8654 10.8654 10.9367 10.9367 11.2481 11.2481 11.3629 11.3629 16.8127 16.8127 16.9765 16.9765 19.4985 19.4985 19.6346 19.6346 Writing output data file SbPd.save init_run : 0.32s CPU 0.50s WALL ( 1 calls) electrons : 137.77s CPU 139.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 137.76s CPU 139.96s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 342 calls) cegterg : 126.36s CPU 128.01s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 73.85s CPU 75.27s WALL ( 5794 calls) s_psi : 4.91s CPU 4.73s WALL ( 5794 calls) g_psi : 0.23s CPU 0.21s WALL ( 5100 calls) cdiaghg : 41.20s CPU 41.76s WALL ( 5442 calls) cegterg:over : 5.44s CPU 5.50s WALL ( 5100 calls) cegterg:upda : 4.67s CPU 4.50s WALL ( 5100 calls) cegterg:last : 2.74s CPU 2.71s WALL ( 1036 calls) cdiaghg:chol : 2.45s CPU 2.37s WALL ( 5442 calls) cdiaghg:inve : 1.56s CPU 1.60s WALL ( 5442 calls) cdiaghg:para : 2.56s CPU 2.51s WALL ( 10884 calls) Called by h_psi: h_psi:vloc : 63.04s CPU 64.34s WALL ( 5794 calls) h_psi:vnl : 10.60s CPU 10.71s WALL ( 5794 calls) add_vuspsi : 5.47s CPU 5.48s WALL ( 5794 calls) General routines calbec : 5.11s CPU 5.22s WALL ( 5794 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.87s CPU 58.29s WALL ( 737212 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 684 calls) Parallel routines fft_scatter : 20.98s CPU 21.36s WALL ( 737235 calls) PWSCF : 2m35.49s CPU 2m51.53s WALL This run was terminated on: 21: 9:24 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=