Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13: 1 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: ./TiSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 36 36 10 1659 1659 250 Max 38 38 11 1664 1664 257 Sum 1333 1333 379 59839 59839 9067 bravais-lattice index = 14 lattice parameter (alat) = 7.7541 a.u. unit-cell volume = 618.3042 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.754113 celldm(2)= 1.000000 celldm(3)= 1.531353 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 1.531353 ) 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 0.653017 ) 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ti 12.00 47.86700 Ti( 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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 ) ( 0.7656764 ) 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= 330 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0030303 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0030303 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0030303 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0030303 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0030303 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0030303 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0030303 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0030303 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0030303 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0030303 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0030303 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0030303 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0030303 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0030303 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0030303 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0030303 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0030303 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0030303 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0030303 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0030303 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0030303 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0030303 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0030303 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0030303 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0030303 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0030303 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0030303 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0030303 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0030303 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0030303 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0030303 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0030303 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0030303 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0030303 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0030303 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0030303 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0030303 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0030303 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0030303 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0030303 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0030303 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0030303 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0030303 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0030303 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0030303 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0030303 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0030303 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0030303 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0030303 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0030303 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0030303 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0030303 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0030303 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0030303 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0030303 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0030303 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0030303 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0030303 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0030303 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0030303 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0030303 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0030303 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0030303 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0030303 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0030303 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0030303 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0030303 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0030303 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0030303 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0030303 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0030303 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0030303 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0030303 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0030303 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0030303 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0030303 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0030303 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0030303 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0030303 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0030303 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0030303 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0030303 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0030303 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0030303 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0030303 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0030303 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030303 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0030303 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0030303 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0030303 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0030303 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0030303 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0030303 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0030303 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0030303 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0030303 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0030303 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0030303 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0030303 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0030303 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0030303 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0030303 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0030303 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0030303 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0030303 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0030303 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0030303 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0030303 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0030303 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0030303 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0030303 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.0130603), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.0261207), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.0391810), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.0522414), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.0653017), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.0783621), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.0914224), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.1044828), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.1175431), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.1306035), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.1436638), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.1567242), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.1697845), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.1828449), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.1959052), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.2089656), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.2220259), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.2350863), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.2481466), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.2612070), wk = 0.0030303 k( 148) = ( 0.0000000 0.0000000 0.2742673), wk = 0.0030303 k( 149) = ( 0.0000000 0.0000000 0.2873276), wk = 0.0030303 k( 150) = ( 0.0000000 0.0000000 0.3003880), wk = 0.0030303 k( 151) = ( 0.0000000 0.0000000 0.3134483), wk = 0.0030303 k( 152) = ( 0.0000000 0.0000000 0.3265087), wk = 0.0030303 k( 153) = ( 0.0000000 0.0000000 0.3265087), wk = 0.0030303 k( 154) = ( 0.0111111 0.0064150 0.3265087), wk = 0.0030303 k( 155) = ( 0.0222222 0.0128300 0.3265087), wk = 0.0030303 k( 156) = ( 0.0333333 0.0192450 0.3265087), wk = 0.0030303 k( 157) = ( 0.0444444 0.0256600 0.3265087), wk = 0.0030303 k( 158) = ( 0.0555556 0.0320750 0.3265087), wk = 0.0030303 k( 159) = ( 0.0666667 0.0384900 0.3265087), wk = 0.0030303 k( 160) = ( 0.0777778 0.0449050 0.3265087), wk = 0.0030303 k( 161) = ( 0.0888889 0.0513200 0.3265087), wk = 0.0030303 k( 162) = ( 0.1000000 0.0577350 0.3265087), wk = 0.0030303 k( 163) = ( 0.1111111 0.0641500 0.3265087), wk = 0.0030303 k( 164) = ( 0.1222222 0.0705650 0.3265087), wk = 0.0030303 k( 165) = ( 0.1333333 0.0769800 0.3265087), wk = 0.0030303 k( 166) = ( 0.1444444 0.0833950 0.3265087), wk = 0.0030303 k( 167) = ( 0.1555556 0.0898100 0.3265087), wk = 0.0030303 k( 168) = ( 0.1666667 0.0962250 0.3265087), wk = 0.0030303 k( 169) = ( 0.1777778 0.1026400 0.3265087), wk = 0.0030303 k( 170) = ( 0.1888889 0.1090551 0.3265087), wk = 0.0030303 k( 171) = ( 0.2000000 0.1154701 0.3265087), wk = 0.0030303 k( 172) = ( 0.2111111 0.1218851 0.3265087), wk = 0.0030303 k( 173) = ( 0.2222222 0.1283001 0.3265087), wk = 0.0030303 k( 174) = ( 0.2333333 0.1347151 0.3265087), wk = 0.0030303 k( 175) = ( 0.2444444 0.1411301 0.3265087), wk = 0.0030303 k( 176) = ( 0.2555556 0.1475451 0.3265087), wk = 0.0030303 k( 177) = ( 0.2666667 0.1539601 0.3265087), wk = 0.0030303 k( 178) = ( 0.2777778 0.1603751 0.3265087), wk = 0.0030303 k( 179) = ( 0.2888889 0.1667901 0.3265087), wk = 0.0030303 k( 180) = ( 0.3000000 0.1732051 0.3265087), wk = 0.0030303 k( 181) = ( 0.3111111 0.1796201 0.3265087), wk = 0.0030303 k( 182) = ( 0.3222222 0.1860351 0.3265087), wk = 0.0030303 k( 183) = ( 0.3333333 0.1924501 0.3265087), wk = 0.0030303 k( 184) = ( 0.3444444 0.1988651 0.3265087), wk = 0.0030303 k( 185) = ( 0.3555556 0.2052801 0.3265087), wk = 0.0030303 k( 186) = ( 0.3666667 0.2116951 0.3265087), wk = 0.0030303 k( 187) = ( 0.3777778 0.2181101 0.3265087), wk = 0.0030303 k( 188) = ( 0.3888889 0.2245251 0.3265087), wk = 0.0030303 k( 189) = ( 0.4000000 0.2309401 0.3265087), wk = 0.0030303 k( 190) = ( 0.4111111 0.2373551 0.3265087), wk = 0.0030303 k( 191) = ( 0.4222222 0.2437701 0.3265087), wk = 0.0030303 k( 192) = ( 0.4333333 0.2501851 0.3265087), wk = 0.0030303 k( 193) = ( 0.4444444 0.2566001 0.3265087), wk = 0.0030303 k( 194) = ( 0.4555556 0.2630151 0.3265087), wk = 0.0030303 k( 195) = ( 0.4666667 0.2694301 0.3265087), wk = 0.0030303 k( 196) = ( 0.4777778 0.2758451 0.3265087), wk = 0.0030303 k( 197) = ( 0.4888889 0.2822601 0.3265087), wk = 0.0030303 k( 198) = ( 0.5000000 0.2886751 0.3265087), wk = 0.0030303 k( 199) = ( 0.5000000 0.2886751 0.3265087), wk = 0.0030303 k( 200) = ( 0.4935897 0.2997780 0.3265087), wk = 0.0030303 k( 201) = ( 0.4871795 0.3108809 0.3265087), wk = 0.0030303 k( 202) = ( 0.4807692 0.3219838 0.3265087), wk = 0.0030303 k( 203) = ( 0.4743590 0.3330867 0.3265087), wk = 0.0030303 k( 204) = ( 0.4679487 0.3441896 0.3265087), wk = 0.0030303 k( 205) = ( 0.4615385 0.3552925 0.3265087), wk = 0.0030303 k( 206) = ( 0.4551282 0.3663954 0.3265087), wk = 0.0030303 k( 207) = ( 0.4487179 0.3774983 0.3265087), wk = 0.0030303 k( 208) = ( 0.4423077 0.3886011 0.3265087), wk = 0.0030303 k( 209) = ( 0.4358974 0.3997040 0.3265087), wk = 0.0030303 k( 210) = ( 0.4294872 0.4108069 0.3265087), wk = 0.0030303 k( 211) = ( 0.4230769 0.4219098 0.3265087), wk = 0.0030303 k( 212) = ( 0.4166667 0.4330127 0.3265087), wk = 0.0030303 k( 213) = ( 0.4102564 0.4441156 0.3265087), wk = 0.0030303 k( 214) = ( 0.4038462 0.4552185 0.3265087), wk = 0.0030303 k( 215) = ( 0.3974359 0.4663214 0.3265087), wk = 0.0030303 k( 216) = ( 0.3910256 0.4774243 0.3265087), wk = 0.0030303 k( 217) = ( 0.3846154 0.4885271 0.3265087), wk = 0.0030303 k( 218) = ( 0.3782051 0.4996300 0.3265087), wk = 0.0030303 k( 219) = ( 0.3717949 0.5107329 0.3265087), wk = 0.0030303 k( 220) = ( 0.3653846 0.5218358 0.3265087), wk = 0.0030303 k( 221) = ( 0.3589744 0.5329387 0.3265087), wk = 0.0030303 k( 222) = ( 0.3525641 0.5440416 0.3265087), wk = 0.0030303 k( 223) = ( 0.3461538 0.5551445 0.3265087), wk = 0.0030303 k( 224) = ( 0.3397436 0.5662474 0.3265087), wk = 0.0030303 k( 225) = ( 0.3333333 0.5773503 0.3265087), wk = 0.0030303 k( 226) = ( 0.3333333 0.5773503 0.3265087), wk = 0.0030303 k( 227) = ( 0.3269231 0.5662474 0.3265087), wk = 0.0030303 k( 228) = ( 0.3205128 0.5551445 0.3265087), wk = 0.0030303 k( 229) = ( 0.3141026 0.5440416 0.3265087), wk = 0.0030303 k( 230) = ( 0.3076923 0.5329387 0.3265087), wk = 0.0030303 k( 231) = ( 0.3012821 0.5218358 0.3265087), wk = 0.0030303 k( 232) = ( 0.2948718 0.5107329 0.3265087), wk = 0.0030303 k( 233) = ( 0.2884615 0.4996300 0.3265087), wk = 0.0030303 k( 234) = ( 0.2820513 0.4885271 0.3265087), wk = 0.0030303 k( 235) = ( 0.2756410 0.4774243 0.3265087), wk = 0.0030303 k( 236) = ( 0.2692308 0.4663214 0.3265087), wk = 0.0030303 k( 237) = ( 0.2628205 0.4552185 0.3265087), wk = 0.0030303 k( 238) = ( 0.2564103 0.4441156 0.3265087), wk = 0.0030303 k( 239) = ( 0.2500000 0.4330127 0.3265087), wk = 0.0030303 k( 240) = ( 0.2435897 0.4219098 0.3265087), wk = 0.0030303 k( 241) = ( 0.2371795 0.4108069 0.3265087), wk = 0.0030303 k( 242) = ( 0.2307692 0.3997040 0.3265087), wk = 0.0030303 k( 243) = ( 0.2243590 0.3886011 0.3265087), wk = 0.0030303 k( 244) = ( 0.2179487 0.3774983 0.3265087), wk = 0.0030303 k( 245) = ( 0.2115385 0.3663954 0.3265087), wk = 0.0030303 k( 246) = ( 0.2051282 0.3552925 0.3265087), wk = 0.0030303 k( 247) = ( 0.1987180 0.3441896 0.3265087), wk = 0.0030303 k( 248) = ( 0.1923077 0.3330867 0.3265087), wk = 0.0030303 k( 249) = ( 0.1858974 0.3219838 0.3265087), wk = 0.0030303 k( 250) = ( 0.1794872 0.3108809 0.3265087), wk = 0.0030303 k( 251) = ( 0.1730769 0.2997780 0.3265087), wk = 0.0030303 k( 252) = ( 0.1666667 0.2886751 0.3265087), wk = 0.0030303 k( 253) = ( 0.1602564 0.2775722 0.3265087), wk = 0.0030303 k( 254) = ( 0.1538461 0.2664693 0.3265087), wk = 0.0030303 k( 255) = ( 0.1474359 0.2553665 0.3265087), wk = 0.0030303 k( 256) = ( 0.1410256 0.2442636 0.3265087), wk = 0.0030303 k( 257) = ( 0.1346154 0.2331607 0.3265087), wk = 0.0030303 k( 258) = ( 0.1282051 0.2220578 0.3265087), wk = 0.0030303 k( 259) = ( 0.1217949 0.2109549 0.3265087), wk = 0.0030303 k( 260) = ( 0.1153846 0.1998520 0.3265087), wk = 0.0030303 k( 261) = ( 0.1089744 0.1887491 0.3265087), wk = 0.0030303 k( 262) = ( 0.1025641 0.1776462 0.3265087), wk = 0.0030303 k( 263) = ( 0.0961538 0.1665434 0.3265087), wk = 0.0030303 k( 264) = ( 0.0897436 0.1554405 0.3265087), wk = 0.0030303 k( 265) = ( 0.0833333 0.1443376 0.3265087), wk = 0.0030303 k( 266) = ( 0.0769231 0.1332347 0.3265087), wk = 0.0030303 k( 267) = ( 0.0705128 0.1221318 0.3265087), wk = 0.0030303 k( 268) = ( 0.0641026 0.1110289 0.3265087), wk = 0.0030303 k( 269) = ( 0.0576923 0.0999260 0.3265087), wk = 0.0030303 k( 270) = ( 0.0512821 0.0888231 0.3265087), wk = 0.0030303 k( 271) = ( 0.0448718 0.0777202 0.3265087), wk = 0.0030303 k( 272) = ( 0.0384615 0.0666173 0.3265087), wk = 0.0030303 k( 273) = ( 0.0320513 0.0555144 0.3265087), wk = 0.0030303 k( 274) = ( 0.0256410 0.0444116 0.3265087), wk = 0.0030303 k( 275) = ( 0.0192308 0.0333087 0.3265087), wk = 0.0030303 k( 276) = ( 0.0128205 0.0222058 0.3265087), wk = 0.0030303 k( 277) = ( 0.0064103 0.0111029 0.3265087), wk = 0.0030303 k( 278) = ( 0.0000000 0.0000000 0.3265087), wk = 0.0030303 k( 279) = ( 0.5000000 0.2886751 0.3265087), wk = 0.0030303 k( 280) = ( 0.5000000 0.2886751 0.3134483), wk = 0.0030303 k( 281) = ( 0.5000000 0.2886751 0.3003880), wk = 0.0030303 k( 282) = ( 0.5000000 0.2886751 0.2873276), wk = 0.0030303 k( 283) = ( 0.5000000 0.2886751 0.2742673), wk = 0.0030303 k( 284) = ( 0.5000000 0.2886751 0.2612070), wk = 0.0030303 k( 285) = ( 0.5000000 0.2886751 0.2481466), wk = 0.0030303 k( 286) = ( 0.5000000 0.2886751 0.2350863), wk = 0.0030303 k( 287) = ( 0.5000000 0.2886751 0.2220259), wk = 0.0030303 k( 288) = ( 0.5000000 0.2886751 0.2089656), wk = 0.0030303 k( 289) = ( 0.5000000 0.2886751 0.1959052), wk = 0.0030303 k( 290) = ( 0.5000000 0.2886751 0.1828449), wk = 0.0030303 k( 291) = ( 0.5000000 0.2886751 0.1697845), wk = 0.0030303 k( 292) = ( 0.5000000 0.2886751 0.1567242), wk = 0.0030303 k( 293) = ( 0.5000000 0.2886751 0.1436638), wk = 0.0030303 k( 294) = ( 0.5000000 0.2886751 0.1306035), wk = 0.0030303 k( 295) = ( 0.5000000 0.2886751 0.1175431), wk = 0.0030303 k( 296) = ( 0.5000000 0.2886751 0.1044828), wk = 0.0030303 k( 297) = ( 0.5000000 0.2886751 0.0914224), wk = 0.0030303 k( 298) = ( 0.5000000 0.2886751 0.0783621), wk = 0.0030303 k( 299) = ( 0.5000000 0.2886751 0.0653017), wk = 0.0030303 k( 300) = ( 0.5000000 0.2886751 0.0522414), wk = 0.0030303 k( 301) = ( 0.5000000 0.2886751 0.0391810), wk = 0.0030303 k( 302) = ( 0.5000000 0.2886751 0.0261207), wk = 0.0030303 k( 303) = ( 0.5000000 0.2886751 0.0130603), wk = 0.0030303 k( 304) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030303 k( 305) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030303 k( 306) = ( 0.3333333 0.5773503 0.0130603), wk = 0.0030303 k( 307) = ( 0.3333333 0.5773503 0.0261207), wk = 0.0030303 k( 308) = ( 0.3333333 0.5773503 0.0391810), wk = 0.0030303 k( 309) = ( 0.3333333 0.5773503 0.0522414), wk = 0.0030303 k( 310) = ( 0.3333333 0.5773503 0.0653017), wk = 0.0030303 k( 311) = ( 0.3333333 0.5773503 0.0783621), wk = 0.0030303 k( 312) = ( 0.3333333 0.5773503 0.0914224), wk = 0.0030303 k( 313) = ( 0.3333333 0.5773503 0.1044828), wk = 0.0030303 k( 314) = ( 0.3333333 0.5773503 0.1175431), wk = 0.0030303 k( 315) = ( 0.3333333 0.5773503 0.1306035), wk = 0.0030303 k( 316) = ( 0.3333333 0.5773503 0.1436638), wk = 0.0030303 k( 317) = ( 0.3333333 0.5773503 0.1567242), wk = 0.0030303 k( 318) = ( 0.3333333 0.5773503 0.1697845), wk = 0.0030303 k( 319) = ( 0.3333333 0.5773503 0.1828449), wk = 0.0030303 k( 320) = ( 0.3333333 0.5773503 0.1959052), wk = 0.0030303 k( 321) = ( 0.3333333 0.5773503 0.2089656), wk = 0.0030303 k( 322) = ( 0.3333333 0.5773503 0.2220259), wk = 0.0030303 k( 323) = ( 0.3333333 0.5773503 0.2350863), wk = 0.0030303 k( 324) = ( 0.3333333 0.5773503 0.2481466), wk = 0.0030303 k( 325) = ( 0.3333333 0.5773503 0.2612070), wk = 0.0030303 k( 326) = ( 0.3333333 0.5773503 0.2742673), wk = 0.0030303 k( 327) = ( 0.3333333 0.5773503 0.2873276), wk = 0.0030303 k( 328) = ( 0.3333333 0.5773503 0.3003880), wk = 0.0030303 k( 329) = ( 0.3333333 0.5773503 0.3134483), wk = 0.0030303 k( 330) = ( 0.3333333 0.5773503 0.3265087), wk = 0.0030303 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0030303 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0030303 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0030303 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0030303 k( 6) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0030303 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0030303 k( 8) = ( 0.0777778 0.0000000 -0.0000000), wk = 0.0030303 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0030303 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030303 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0030303 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0030303 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0030303 k( 14) = ( 0.1444444 0.0000000 -0.0000000), wk = 0.0030303 k( 15) = ( 0.1555556 0.0000000 -0.0000000), wk = 0.0030303 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0030303 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0030303 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0030303 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030303 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0030303 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0030303 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0030303 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0030303 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0030303 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0030303 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0030303 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0030303 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030303 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0030303 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0030303 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0030303 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0030303 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0030303 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0030303 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0030303 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0030303 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030303 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0030303 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0030303 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0030303 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0030303 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0030303 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0030303 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0030303 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0030303 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0030303 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0030303 k( 50) = ( 0.4807692 0.0384615 -0.0000000), wk = 0.0030303 k( 51) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0030303 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0030303 k( 53) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0030303 k( 54) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0030303 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0030303 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0030303 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0030303 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0030303 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0030303 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0030303 k( 61) = ( 0.4102564 0.1794872 -0.0000000), wk = 0.0030303 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0030303 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0030303 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0030303 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0030303 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0030303 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0030303 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0030303 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0030303 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0030303 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0030303 k( 72) = ( 0.3397436 0.3205128 -0.0000000), wk = 0.0030303 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0030303 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0030303 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0030303 k( 78) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0030303 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0030303 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0030303 k( 81) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0030303 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0030303 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0030303 k( 84) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0030303 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0030303 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0030303 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030303 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0030303 k( 89) = ( 0.2371795 0.2371795 -0.0000000), wk = 0.0030303 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0030303 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0030303 k( 92) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0030303 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0030303 k( 94) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0030303 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0030303 k( 96) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0030303 k( 97) = ( 0.1858974 0.1858974 -0.0000000), wk = 0.0030303 k( 98) = ( 0.1794872 0.1794872 -0.0000000), wk = 0.0030303 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0030303 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030303 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0030303 k( 102) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0030303 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0030303 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0030303 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0030303 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0030303 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0030303 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0030303 k( 109) = ( 0.1089744 0.1089744 -0.0000000), wk = 0.0030303 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0030303 k( 111) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0030303 k( 112) = ( 0.0897436 0.0897436 -0.0000000), wk = 0.0030303 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030303 k( 114) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0030303 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0030303 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0030303 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0030303 k( 118) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0030303 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0030303 k( 120) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0030303 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0030303 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0030303 k( 123) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0030303 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0030303 k( 125) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0030303 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030303 k( 128) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0030303 k( 129) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0030303 k( 130) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0030303 k( 131) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0030303 k( 132) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0030303 k( 133) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0030303 k( 134) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0030303 k( 135) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0030303 k( 136) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0030303 k( 137) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0030303 k( 138) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0030303 k( 139) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0030303 k( 140) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0030303 k( 141) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0030303 k( 142) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0030303 k( 143) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0030303 k( 144) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0030303 k( 145) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0030303 k( 146) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0030303 k( 147) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0030303 k( 148) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0030303 k( 149) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0030303 k( 150) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0030303 k( 151) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0030303 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 154) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0030303 k( 155) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0030303 k( 156) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0030303 k( 157) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0030303 k( 158) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0030303 k( 159) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0030303 k( 160) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0030303 k( 161) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0030303 k( 162) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0030303 k( 163) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0030303 k( 164) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0030303 k( 165) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0030303 k( 166) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0030303 k( 167) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0030303 k( 168) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0030303 k( 169) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0030303 k( 170) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0030303 k( 171) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0030303 k( 172) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0030303 k( 173) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0030303 k( 174) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0030303 k( 175) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0030303 k( 176) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0030303 k( 177) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0030303 k( 178) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0030303 k( 179) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0030303 k( 180) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0030303 k( 181) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0030303 k( 182) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0030303 k( 183) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0030303 k( 184) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0030303 k( 185) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0030303 k( 186) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0030303 k( 187) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0030303 k( 188) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0030303 k( 189) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0030303 k( 190) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0030303 k( 191) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0030303 k( 192) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0030303 k( 193) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0030303 k( 194) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0030303 k( 195) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0030303 k( 196) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0030303 k( 197) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0030303 k( 198) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 200) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0030303 k( 201) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0030303 k( 202) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0030303 k( 203) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0030303 k( 204) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0030303 k( 205) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0030303 k( 206) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0030303 k( 207) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0030303 k( 208) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0030303 k( 209) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0030303 k( 210) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0030303 k( 211) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0030303 k( 212) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0030303 k( 213) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0030303 k( 214) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0030303 k( 215) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0030303 k( 216) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0030303 k( 217) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0030303 k( 218) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0030303 k( 219) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0030303 k( 220) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0030303 k( 221) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0030303 k( 222) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0030303 k( 223) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0030303 k( 224) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0030303 k( 225) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 226) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 k( 227) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0030303 k( 228) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0030303 k( 229) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0030303 k( 230) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0030303 k( 231) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0030303 k( 232) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0030303 k( 233) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0030303 k( 234) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0030303 k( 235) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0030303 k( 236) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0030303 k( 237) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0030303 k( 238) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0030303 k( 239) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030303 k( 240) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0030303 k( 241) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0030303 k( 242) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0030303 k( 243) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0030303 k( 244) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0030303 k( 245) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0030303 k( 246) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0030303 k( 247) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0030303 k( 248) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0030303 k( 249) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0030303 k( 250) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0030303 k( 251) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0030303 k( 252) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030303 k( 253) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0030303 k( 254) = ( 0.1538461 0.1538462 0.5000000), wk = 0.0030303 k( 255) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0030303 k( 256) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0030303 k( 257) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0030303 k( 258) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0030303 k( 259) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0030303 k( 260) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0030303 k( 261) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0030303 k( 262) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0030303 k( 263) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0030303 k( 264) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0030303 k( 265) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030303 k( 266) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0030303 k( 267) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0030303 k( 268) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0030303 k( 269) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0030303 k( 270) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0030303 k( 271) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0030303 k( 272) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0030303 k( 273) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0030303 k( 274) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0030303 k( 275) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0030303 k( 276) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0030303 k( 277) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0030303 k( 278) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030303 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030303 k( 280) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0030303 k( 281) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0030303 k( 282) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0030303 k( 283) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0030303 k( 284) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0030303 k( 285) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0030303 k( 286) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0030303 k( 287) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0030303 k( 288) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0030303 k( 289) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0030303 k( 290) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0030303 k( 291) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0030303 k( 292) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0030303 k( 293) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0030303 k( 294) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0030303 k( 295) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0030303 k( 296) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0030303 k( 297) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0030303 k( 298) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0030303 k( 299) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0030303 k( 300) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0030303 k( 301) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0030303 k( 302) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0030303 k( 303) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0030303 k( 304) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030303 k( 305) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030303 k( 306) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0030303 k( 307) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0030303 k( 308) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0030303 k( 309) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0030303 k( 310) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0030303 k( 311) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0030303 k( 312) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0030303 k( 313) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0030303 k( 314) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0030303 k( 315) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0030303 k( 316) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0030303 k( 317) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0030303 k( 318) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0030303 k( 319) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0030303 k( 320) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0030303 k( 321) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0030303 k( 322) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0030303 k( 323) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0030303 k( 324) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0030303 k( 325) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0030303 k( 326) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0030303 k( 327) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0030303 k( 328) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0030303 k( 329) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0030303 k( 330) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030303 Dense grid: 59839 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 450, 42) NL pseudopotentials 0.47 Mb ( 225, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1660) G-vector shells 0.01 Mb ( 745) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 450, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./TiSb.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 26 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.4 secs Computing kpt #: 14 total cpu time spent up to now is 15.3 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 total cpu time spent up to now is 17.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.8 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.6 secs Computing kpt #: 21 total cpu time spent up to now is 21.4 secs Computing kpt #: 22 total cpu time spent up to now is 22.4 secs Computing kpt #: 23 total cpu time spent up to now is 23.3 secs Computing kpt #: 24 total cpu time spent up to now is 24.1 secs Computing kpt #: 25 total cpu time spent up to now is 24.9 secs Computing kpt #: 26 total cpu time spent up to now is 25.8 secs Computing kpt #: 27 total cpu time spent up to now is 26.6 secs Computing kpt #: 28 total cpu time spent up to now is 27.5 secs Computing kpt #: 29 total cpu time spent up to now is 28.3 secs Computing kpt #: 30 total cpu time spent up to now is 29.1 secs Computing kpt #: 31 total cpu time spent up to now is 29.9 secs Computing kpt #: 32 total cpu time spent up to now is 30.8 secs Computing kpt #: 33 total cpu time spent up to now is 31.6 secs Computing kpt #: 34 total cpu time spent up to now is 32.4 secs Computing kpt #: 35 total cpu time spent up to now is 33.2 secs Computing kpt #: 36 total cpu time spent up to now is 34.0 secs Computing kpt #: 37 total cpu time spent up to now is 34.8 secs Computing kpt #: 38 total cpu time spent up to now is 35.6 secs Computing kpt #: 39 total cpu time spent up to now is 36.5 secs Computing kpt #: 40 total cpu time spent up to now is 37.3 secs Computing kpt #: 41 total cpu time spent up to now is 38.1 secs Computing kpt #: 42 total cpu time spent up to now is 38.9 secs Computing kpt #: 43 total cpu time spent up to now is 39.7 secs Computing kpt #: 44 total cpu time spent up to now is 40.5 secs Computing kpt #: 45 total cpu time spent up to now is 41.3 secs Computing kpt #: 46 total cpu time spent up to now is 42.1 secs Computing kpt #: 47 total cpu time spent up to now is 42.9 secs Computing kpt #: 48 total cpu time spent up to now is 43.7 secs Computing kpt #: 49 total cpu time spent up to now is 44.5 secs Computing kpt #: 50 total cpu time spent up to now is 45.3 secs Computing kpt #: 51 total cpu time spent up to now is 46.1 secs Computing kpt #: 52 total cpu time spent up to now is 46.9 secs Computing kpt #: 53 total cpu time spent up to now is 47.7 secs Computing kpt #: 54 total cpu time spent up to now is 48.5 secs Computing kpt #: 55 total cpu time spent up to now is 49.3 secs Computing kpt #: 56 total cpu time spent up to now is 50.1 secs Computing kpt #: 57 total cpu time spent up to now is 50.9 secs Computing kpt #: 58 total cpu time spent up to now is 51.8 secs Computing kpt #: 59 total cpu time spent up to now is 52.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.4 secs Computing kpt #: 61 total cpu time spent up to now is 54.2 secs Computing kpt #: 62 total cpu time spent up to now is 55.0 secs Computing kpt #: 63 total cpu time spent up to now is 55.9 secs Computing kpt #: 64 total cpu time spent up to now is 56.8 secs Computing kpt #: 65 total cpu time spent up to now is 57.8 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.3 secs Computing kpt #: 67 total cpu time spent up to now is 60.6 secs Computing kpt #: 68 total cpu time spent up to now is 61.4 secs Computing kpt #: 69 total cpu time spent up to now is 62.6 secs Computing kpt #: 70 total cpu time spent up to now is 63.5 secs Computing kpt #: 71 total cpu time spent up to now is 64.3 secs Computing kpt #: 72 total cpu time spent up to now is 65.5 secs Computing kpt #: 73 total cpu time spent up to now is 66.3 secs Computing kpt #: 74 total cpu time spent up to now is 67.5 secs Computing kpt #: 75 total cpu time spent up to now is 68.6 secs Computing kpt #: 76 total cpu time spent up to now is 69.6 secs Computing kpt #: 77 total cpu time spent up to now is 70.7 secs Computing kpt #: 78 total cpu time spent up to now is 71.6 secs Computing kpt #: 79 total cpu time spent up to now is 72.4 secs Computing kpt #: 80 total cpu time spent up to now is 73.2 secs Computing kpt #: 81 total cpu time spent up to now is 74.0 secs Computing kpt #: 82 total cpu time spent up to now is 74.9 secs Computing kpt #: 83 total cpu time spent up to now is 75.7 secs Computing kpt #: 84 total cpu time spent up to now is 76.7 secs Computing kpt #: 85 total cpu time spent up to now is 77.5 secs Computing kpt #: 86 total cpu time spent up to now is 78.4 secs Computing kpt #: 87 total cpu time spent up to now is 79.3 secs Computing kpt #: 88 total cpu time spent up to now is 80.1 secs Computing kpt #: 89 total cpu time spent up to now is 81.0 secs Computing kpt #: 90 total cpu time spent up to now is 81.8 secs Computing kpt #: 91 total cpu time spent up to now is 82.7 secs Computing kpt #: 92 total cpu time spent up to now is 83.5 secs Computing kpt #: 93 total cpu time spent up to now is 84.4 secs Computing kpt #: 94 total cpu time spent up to now is 85.2 secs Computing kpt #: 95 total cpu time spent up to now is 86.0 secs Computing kpt #: 96 total cpu time spent up to now is 86.8 secs Computing kpt #: 97 total cpu time spent up to now is 87.7 secs Computing kpt #: 98 total cpu time spent up to now is 88.6 secs Computing kpt #: 99 total cpu time spent up to now is 89.4 secs Computing kpt #: 100 total cpu time spent up to now is 90.3 secs Computing kpt #: 101 total cpu time spent up to now is 91.1 secs Computing kpt #: 102 total cpu time spent up to now is 92.0 secs Computing kpt #: 103 total cpu time spent up to now is 92.9 secs Computing kpt #: 104 total cpu time spent up to now is 93.8 secs Computing kpt #: 105 total cpu time spent up to now is 94.7 secs Computing kpt #: 106 total cpu time spent up to now is 95.6 secs Computing kpt #: 107 total cpu time spent up to now is 96.5 secs Computing kpt #: 108 total cpu time spent up to now is 97.4 secs Computing kpt #: 109 total cpu time spent up to now is 98.4 secs Computing kpt #: 110 total cpu time spent up to now is 99.3 secs Computing kpt #: 111 total cpu time spent up to now is 100.2 secs Computing kpt #: 112 total cpu time spent up to now is 101.1 secs Computing kpt #: 113 total cpu time spent up to now is 102.1 secs Computing kpt #: 114 total cpu time spent up to now is 103.0 secs Computing kpt #: 115 total cpu time spent up to now is 103.8 secs Computing kpt #: 116 total cpu time spent up to now is 104.7 secs Computing kpt #: 117 total cpu time spent up to now is 105.6 secs Computing kpt #: 118 total cpu time spent up to now is 106.5 secs Computing kpt #: 119 total cpu time spent up to now is 107.4 secs Computing kpt #: 120 total cpu time spent up to now is 108.4 secs Computing kpt #: 121 total cpu time spent up to now is 109.2 secs Computing kpt #: 122 total cpu time spent up to now is 110.2 secs Computing kpt #: 123 total cpu time spent up to now is 111.5 secs Computing kpt #: 124 total cpu time spent up to now is 113.0 secs Computing kpt #: 125 total cpu time spent up to now is 113.8 secs Computing kpt #: 126 total cpu time spent up to now is 114.8 secs Computing kpt #: 127 total cpu time spent up to now is 115.9 secs Computing kpt #: 128 total cpu time spent up to now is 116.7 secs Computing kpt #: 129 total cpu time spent up to now is 117.7 secs Computing kpt #: 130 total cpu time spent up to now is 118.5 secs Computing kpt #: 131 total cpu time spent up to now is 119.4 secs Computing kpt #: 132 total cpu time spent up to now is 120.1 secs Computing kpt #: 133 total cpu time spent up to now is 120.9 secs Computing kpt #: 134 total cpu time spent up to now is 121.7 secs Computing kpt #: 135 total cpu time spent up to now is 122.5 secs Computing kpt #: 136 total cpu time spent up to now is 123.2 secs Computing kpt #: 137 total cpu time spent up to now is 123.9 secs Computing kpt #: 138 total cpu time spent up to now is 124.6 secs Computing kpt #: 139 total cpu time spent up to now is 125.3 secs Computing kpt #: 140 total cpu time spent up to now is 126.1 secs Computing kpt #: 141 total cpu time spent up to now is 126.8 secs Computing kpt #: 142 total cpu time spent up to now is 127.6 secs Computing kpt #: 143 total cpu time spent up to now is 128.3 secs Computing kpt #: 144 total cpu time spent up to now is 129.1 secs Computing kpt #: 145 total cpu time spent up to now is 129.8 secs Computing kpt #: 146 total cpu time spent up to now is 130.6 secs Computing kpt #: 147 total cpu time spent up to now is 131.4 secs Computing kpt #: 148 total cpu time spent up to now is 132.2 secs Computing kpt #: 149 total cpu time spent up to now is 133.0 secs Computing kpt #: 150 total cpu time spent up to now is 133.8 secs Computing kpt #: 151 total cpu time spent up to now is 134.6 secs Computing kpt #: 152 total cpu time spent up to now is 135.4 secs Computing kpt #: 153 total cpu time spent up to now is 136.1 secs Computing kpt #: 154 total cpu time spent up to now is 136.9 secs Computing kpt #: 155 total cpu time spent up to now is 137.6 secs Computing kpt #: 156 total cpu time spent up to now is 138.4 secs Computing kpt #: 157 total cpu time spent up to now is 139.2 secs Computing kpt #: 158 total cpu time spent up to now is 139.9 secs Computing kpt #: 159 total cpu time spent up to now is 140.7 secs Computing kpt #: 160 total cpu time spent up to now is 141.4 secs Computing kpt #: 161 total cpu time spent up to now is 142.2 secs Computing kpt #: 162 total cpu time spent up to now is 142.9 secs Computing kpt #: 163 total cpu time spent up to now is 143.7 secs Computing kpt #: 164 total cpu time spent up to now is 144.5 secs Computing kpt #: 165 total cpu time spent up to now is 145.2 secs Computing kpt #: 166 total cpu time spent up to now is 145.9 secs Computing kpt #: 167 total cpu time spent up to now is 146.7 secs Computing kpt #: 168 total cpu time spent up to now is 147.4 secs Computing kpt #: 169 total cpu time spent up to now is 148.1 secs Computing kpt #: 170 total cpu time spent up to now is 148.8 secs Computing kpt #: 171 total cpu time spent up to now is 149.6 secs Computing kpt #: 172 total cpu time spent up to now is 150.3 secs Computing kpt #: 173 total cpu time spent up to now is 151.0 secs Computing kpt #: 174 total cpu time spent up to now is 151.8 secs Computing kpt #: 175 total cpu time spent up to now is 152.5 secs Computing kpt #: 176 total cpu time spent up to now is 153.3 secs Computing kpt #: 177 total cpu time spent up to now is 154.0 secs Computing kpt #: 178 total cpu time spent up to now is 154.8 secs Computing kpt #: 179 total cpu time spent up to now is 155.6 secs Computing kpt #: 180 total cpu time spent up to now is 156.3 secs Computing kpt #: 181 total cpu time spent up to now is 157.1 secs Computing kpt #: 182 total cpu time spent up to now is 157.9 secs Computing kpt #: 183 total cpu time spent up to now is 158.7 secs Computing kpt #: 184 total cpu time spent up to now is 159.4 secs Computing kpt #: 185 total cpu time spent up to now is 160.3 secs Computing kpt #: 186 total cpu time spent up to now is 161.2 secs Computing kpt #: 187 total cpu time spent up to now is 162.0 secs Computing kpt #: 188 total cpu time spent up to now is 162.9 secs Computing kpt #: 189 total cpu time spent up to now is 163.8 secs Computing kpt #: 190 total cpu time spent up to now is 164.6 secs Computing kpt #: 191 total cpu time spent up to now is 165.5 secs Computing kpt #: 192 total cpu time spent up to now is 166.4 secs Computing kpt #: 193 total cpu time spent up to now is 167.3 secs Computing kpt #: 194 total cpu time spent up to now is 168.2 secs Computing kpt #: 195 total cpu time spent up to now is 169.0 secs Computing kpt #: 196 total cpu time spent up to now is 169.9 secs Computing kpt #: 197 total cpu time spent up to now is 170.8 secs Computing kpt #: 198 total cpu time spent up to now is 171.7 secs Computing kpt #: 199 total cpu time spent up to now is 172.6 secs Computing kpt #: 200 total cpu time spent up to now is 173.5 secs Computing kpt #: 201 total cpu time spent up to now is 174.4 secs Computing kpt #: 202 total cpu time spent up to now is 175.2 secs Computing kpt #: 203 total cpu time spent up to now is 176.1 secs Computing kpt #: 204 total cpu time spent up to now is 176.9 secs Computing kpt #: 205 total cpu time spent up to now is 177.8 secs Computing kpt #: 206 total cpu time spent up to now is 178.7 secs Computing kpt #: 207 total cpu time spent up to now is 179.6 secs Computing kpt #: 208 total cpu time spent up to now is 180.8 secs Computing kpt #: 209 total cpu time spent up to now is 181.6 secs Computing kpt #: 210 total cpu time spent up to now is 182.5 secs Computing kpt #: 211 total cpu time spent up to now is 183.7 secs Computing kpt #: 212 total cpu time spent up to now is 184.6 secs Computing kpt #: 213 total cpu time spent up to now is 186.0 secs Computing kpt #: 214 total cpu time spent up to now is 187.1 secs Computing kpt #: 215 total cpu time spent up to now is 188.4 secs Computing kpt #: 216 total cpu time spent up to now is 189.2 secs Computing kpt #: 217 total cpu time spent up to now is 190.0 secs Computing kpt #: 218 total cpu time spent up to now is 190.8 secs Computing kpt #: 219 total cpu time spent up to now is 191.7 secs Computing kpt #: 220 total cpu time spent up to now is 192.5 secs Computing kpt #: 221 total cpu time spent up to now is 193.3 secs Computing kpt #: 222 total cpu time spent up to now is 194.2 secs Computing kpt #: 223 total cpu time spent up to now is 195.0 secs Computing kpt #: 224 total cpu time spent up to now is 195.8 secs Computing kpt #: 225 total cpu time spent up to now is 196.7 secs Computing kpt #: 226 total cpu time spent up to now is 197.9 secs Computing kpt #: 227 total cpu time spent up to now is 198.8 secs Computing kpt #: 228 total cpu time spent up to now is 199.6 secs Computing kpt #: 229 total cpu time spent up to now is 200.4 secs Computing kpt #: 230 total cpu time spent up to now is 201.2 secs Computing kpt #: 231 total cpu time spent up to now is 202.0 secs Computing kpt #: 232 total cpu time spent up to now is 202.9 secs Computing kpt #: 233 total cpu time spent up to now is 203.7 secs Computing kpt #: 234 total cpu time spent up to now is 204.5 secs Computing kpt #: 235 total cpu time spent up to now is 205.3 secs Computing kpt #: 236 total cpu time spent up to now is 206.1 secs Computing kpt #: 237 total cpu time spent up to now is 207.0 secs Computing kpt #: 238 total cpu time spent up to now is 207.8 secs Computing kpt #: 239 total cpu time spent up to now is 208.6 secs Computing kpt #: 240 total cpu time spent up to now is 209.4 secs Computing kpt #: 241 total cpu time spent up to now is 210.4 secs Computing kpt #: 242 total cpu time spent up to now is 211.5 secs Computing kpt #: 243 total cpu time spent up to now is 212.4 secs Computing kpt #: 244 total cpu time spent up to now is 213.3 secs Computing kpt #: 245 total cpu time spent up to now is 214.1 secs Computing kpt #: 246 total cpu time spent up to now is 214.9 secs Computing kpt #: 247 total cpu time spent up to now is 215.8 secs Computing kpt #: 248 total cpu time spent up to now is 216.7 secs Computing kpt #: 249 total cpu time spent up to now is 217.5 secs Computing kpt #: 250 total cpu time spent up to now is 218.5 secs Computing kpt #: 251 total cpu time spent up to now is 219.7 secs Computing kpt #: 252 total cpu time spent up to now is 220.7 secs Computing kpt #: 253 total cpu time spent up to now is 221.7 secs Computing kpt #: 254 total cpu time spent up to now is 222.6 secs Computing kpt #: 255 total cpu time spent up to now is 223.7 secs Computing kpt #: 256 total cpu time spent up to now is 224.8 secs Computing kpt #: 257 total cpu time spent up to now is 225.9 secs Computing kpt #: 258 total cpu time spent up to now is 226.9 secs Computing kpt #: 259 total cpu time spent up to now is 228.1 secs Computing kpt #: 260 total cpu time spent up to now is 229.4 secs Computing kpt #: 261 total cpu time spent up to now is 230.4 secs Computing kpt #: 262 total cpu time spent up to now is 231.3 secs Computing kpt #: 263 total cpu time spent up to now is 232.2 secs Computing kpt #: 264 total cpu time spent up to now is 233.3 secs Computing kpt #: 265 total cpu time spent up to now is 234.3 secs Computing kpt #: 266 total cpu time spent up to now is 235.2 secs Computing kpt #: 267 total cpu time spent up to now is 236.1 secs Computing kpt #: 268 total cpu time spent up to now is 237.0 secs Computing kpt #: 269 total cpu time spent up to now is 238.0 secs Computing kpt #: 270 total cpu time spent up to now is 238.9 secs Computing kpt #: 271 total cpu time spent up to now is 239.8 secs Computing kpt #: 272 total cpu time spent up to now is 240.6 secs Computing kpt #: 273 total cpu time spent up to now is 241.6 secs Computing kpt #: 274 total cpu time spent up to now is 242.3 secs Computing kpt #: 275 total cpu time spent up to now is 243.1 secs Computing kpt #: 276 total cpu time spent up to now is 243.9 secs Computing kpt #: 277 total cpu time spent up to now is 244.7 secs Computing kpt #: 278 total cpu time spent up to now is 245.5 secs Computing kpt #: 279 total cpu time spent up to now is 246.4 secs Computing kpt #: 280 total cpu time spent up to now is 247.2 secs Computing kpt #: 281 total cpu time spent up to now is 248.1 secs Computing kpt #: 282 total cpu time spent up to now is 248.9 secs Computing kpt #: 283 total cpu time spent up to now is 249.8 secs Computing kpt #: 284 total cpu time spent up to now is 250.6 secs Computing kpt #: 285 total cpu time spent up to now is 251.5 secs Computing kpt #: 286 total cpu time spent up to now is 252.3 secs Computing kpt #: 287 total cpu time spent up to now is 253.2 secs Computing kpt #: 288 total cpu time spent up to now is 254.0 secs Computing kpt #: 289 total cpu time spent up to now is 254.9 secs Computing kpt #: 290 total cpu time spent up to now is 255.7 secs Computing kpt #: 291 total cpu time spent up to now is 256.5 secs Computing kpt #: 292 total cpu time spent up to now is 257.4 secs Computing kpt #: 293 total cpu time spent up to now is 258.2 secs Computing kpt #: 294 total cpu time spent up to now is 259.0 secs Computing kpt #: 295 total cpu time spent up to now is 259.8 secs Computing kpt #: 296 total cpu time spent up to now is 260.6 secs Computing kpt #: 297 total cpu time spent up to now is 261.4 secs Computing kpt #: 298 total cpu time spent up to now is 262.2 secs Computing kpt #: 299 total cpu time spent up to now is 263.0 secs Computing kpt #: 300 total cpu time spent up to now is 263.8 secs Computing kpt #: 301 total cpu time spent up to now is 264.6 secs Computing kpt #: 302 total cpu time spent up to now is 265.4 secs Computing kpt #: 303 total cpu time spent up to now is 266.2 secs Computing kpt #: 304 total cpu time spent up to now is 267.0 secs Computing kpt #: 305 total cpu time spent up to now is 267.9 secs Computing kpt #: 306 total cpu time spent up to now is 268.7 secs Computing kpt #: 307 total cpu time spent up to now is 269.8 secs Computing kpt #: 308 total cpu time spent up to now is 271.0 secs Computing kpt #: 309 total cpu time spent up to now is 272.2 secs Computing kpt #: 310 total cpu time spent up to now is 273.1 secs Computing kpt #: 311 total cpu time spent up to now is 274.3 secs Computing kpt #: 312 total cpu time spent up to now is 275.5 secs Computing kpt #: 313 total cpu time spent up to now is 276.8 secs Computing kpt #: 314 total cpu time spent up to now is 278.3 secs Computing kpt #: 315 total cpu time spent up to now is 279.2 secs Computing kpt #: 316 total cpu time spent up to now is 280.4 secs Computing kpt #: 317 total cpu time spent up to now is 281.3 secs Computing kpt #: 318 total cpu time spent up to now is 282.4 secs Computing kpt #: 319 total cpu time spent up to now is 283.3 secs Computing kpt #: 320 total cpu time spent up to now is 284.1 secs Computing kpt #: 321 total cpu time spent up to now is 284.9 secs Computing kpt #: 322 total cpu time spent up to now is 286.2 secs Computing kpt #: 323 total cpu time spent up to now is 287.1 secs Computing kpt #: 324 total cpu time spent up to now is 287.9 secs Computing kpt #: 325 total cpu time spent up to now is 288.8 secs Computing kpt #: 326 total cpu time spent up to now is 290.4 secs Computing kpt #: 327 total cpu time spent up to now is 291.2 secs Computing kpt #: 328 total cpu time spent up to now is 292.0 secs Computing kpt #: 329 total cpu time spent up to now is 292.8 secs Computing kpt #: 330 total cpu time spent up to now is 293.7 secs ethr = 2.94E-08, avg # of iterations = 42.6 total cpu time spent up to now is 293.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7473 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9558 -23.9558 -23.9366 -23.9366 -23.8396 -23.8396 -23.7026 -23.7026 -1.4797 -1.4797 0.7692 0.7692 4.4016 4.4016 7.0287 7.0287 7.2601 7.2601 8.5962 8.5962 9.3709 9.3709 9.3803 9.3803 9.5891 9.5891 9.6115 9.6115 10.1226 10.1226 10.8228 10.8228 10.8688 10.8688 k = 0.0111 0.0064-0.0000 ( 7453 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9558 -23.9558 -23.9366 -23.9366 -23.8396 -23.8396 -23.7026 -23.7026 -1.4784 -1.4784 0.7694 0.7694 4.4032 4.4032 7.0281 7.0281 7.2595 7.2595 8.5950 8.5950 9.3641 9.3641 9.3765 9.3765 9.5855 9.5855 9.6092 9.6092 10.1280 10.1280 10.8214 10.8214 10.8676 10.8679 k = 0.0222 0.0128-0.0000 ( 7459 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5315 -24.5315 -23.9558 -23.9558 -23.9367 -23.9367 -23.8396 -23.8396 -23.7026 -23.7026 -1.4745 -1.4745 0.7700 0.7700 4.4080 4.4080 7.0264 7.0264 7.2580 7.2580 8.5914 8.5914 9.3440 9.3440 9.3653 9.3653 9.5705 9.5705 9.6073 9.6073 10.1429 10.1429 10.8174 10.8174 10.8634 10.8634 k = 0.0333 0.0192-0.0000 ( 7447 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5315 -24.5315 -23.9559 -23.9559 -23.9367 -23.9367 -23.8396 -23.8396 -23.7026 -23.7026 -1.4679 -1.4679 0.7709 0.7709 4.4161 4.4161 7.0235 7.0235 7.2555 7.2555 8.5852 8.5852 9.3112 9.3112 9.3471 9.3471 9.5430 9.5430 9.6093 9.6093 10.1646 10.1646 10.8114 10.8114 10.8554 10.8554 k = 0.0444 0.0257-0.0000 ( 7449 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5316 -24.5316 -23.9560 -23.9560 -23.9368 -23.9368 -23.8396 -23.8396 -23.7026 -23.7026 -1.4587 -1.4587 0.7721 0.7721 4.4273 4.4273 7.0191 7.0191 7.2523 7.2523 8.5757 8.5757 9.2674 9.2674 9.3222 9.3222 9.5064 9.5064 9.6139 9.6139 10.1901 10.1901 10.8038 10.8038 10.8446 10.8446 k = 0.0556 0.0321-0.0000 ( 7443 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5510 -24.5510 -24.5317 -24.5317 -23.9561 -23.9561 -23.9369 -23.9369 -23.8396 -23.8396 -23.7026 -23.7026 -1.4468 -1.4468 0.7737 0.7737 4.4416 4.4416 7.0130 7.0130 7.2487 7.2487 8.5622 8.5622 9.2146 9.2146 9.2912 9.2912 9.4632 9.4632 9.6204 9.6204 10.2165 10.2165 10.7950 10.7950 10.8329 10.8329 k = 0.0667 0.0385-0.0000 ( 7437 PWs) bands (ev): -47.8466 -47.8466 -47.8307 -47.8307 -24.5511 -24.5511 -24.5318 -24.5318 -23.9563 -23.9563 -23.9370 -23.9370 -23.8396 -23.8396 -23.7026 -23.7026 -1.4324 -1.4324 0.7756 0.7756 4.4592 4.4592 7.0049 7.0049 7.2450 7.2450 8.5435 8.5435 9.1555 9.1555 9.2549 9.2549 9.4148 9.4148 9.6286 9.6286 10.2417 10.2417 10.7850 10.7850 10.8225 10.8225 k = 0.0778 0.0449-0.0000 ( 7429 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5511 -24.5511 -24.5320 -24.5320 -23.9565 -23.9565 -23.9372 -23.9372 -23.8395 -23.8395 -23.7026 -23.7026 -1.4154 -1.4154 0.7778 0.7778 4.4799 4.4799 6.9945 6.9945 7.2415 7.2415 8.5179 8.5179 9.0929 9.0929 9.2138 9.2138 9.3621 9.3621 9.6383 9.6383 10.2642 10.2642 10.7737 10.7737 10.8149 10.8149 k = 0.0889 0.0513-0.0000 ( 7427 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5512 -24.5512 -24.5321 -24.5321 -23.9567 -23.9567 -23.9374 -23.9374 -23.8395 -23.8395 -23.7026 -23.7026 -1.3958 -1.3958 0.7803 0.7803 4.5037 4.5037 6.9814 6.9814 7.2385 7.2385 8.4833 8.4833 9.0302 9.0302 9.1688 9.1688 9.3059 9.3059 9.6496 9.6496 10.2832 10.2832 10.7614 10.7614 10.8108 10.8108 k = 0.1000 0.0577-0.0000 ( 7431 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5513 -24.5513 -24.5323 -24.5323 -23.9570 -23.9570 -23.9375 -23.9375 -23.8395 -23.8395 -23.7026 -23.7026 -1.3737 -1.3737 0.7831 0.7831 4.5306 4.5306 6.9654 6.9654 7.2364 7.2364 8.4373 8.4373 8.9707 8.9707 9.1206 9.1206 9.2471 9.2471 9.6623 9.6623 10.2983 10.2983 10.7487 10.7487 10.8099 10.8099 k = 0.1111 0.0642-0.0000 ( 7439 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5514 -24.5514 -24.5325 -24.5325 -23.9573 -23.9573 -23.9377 -23.9377 -23.8394 -23.8394 -23.7026 -23.7026 -1.3491 -1.3491 0.7861 0.7861 4.5606 4.5606 6.9464 6.9464 7.2354 7.2354 8.3781 8.3781 8.9169 8.9169 9.0700 9.0700 9.1865 9.1865 9.6765 9.6765 10.3099 10.3099 10.7359 10.7359 10.8114 10.8114 k = 0.1222 0.0706-0.0000 ( 7447 PWs) bands (ev): -47.8465 -47.8465 -47.8306 -47.8306 -24.5516 -24.5516 -24.5327 -24.5327 -23.9576 -23.9576 -23.9380 -23.9380 -23.8394 -23.8394 -23.7026 -23.7026 -1.3220 -1.3220 0.7893 0.7893 4.5935 4.5935 6.9240 6.9240 7.2354 7.2354 8.3053 8.3053 8.8699 8.8699 9.0178 9.0178 9.1250 9.1250 9.6920 9.6920 10.3183 10.3183 10.7233 10.7233 10.8143 10.8143 k = 0.1333 0.0770-0.0000 ( 7461 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5517 -24.5517 -24.5330 -24.5330 -23.9579 -23.9579 -23.9382 -23.9382 -23.8393 -23.8393 -23.7026 -23.7026 -1.2925 -1.2925 0.7926 0.7926 4.6295 4.6295 6.8983 6.8983 7.2365 7.2365 8.2197 8.2197 8.8286 8.8286 8.9653 8.9653 9.0635 9.0635 9.7088 9.7088 10.3243 10.3243 10.7109 10.7109 10.8177 10.8177 k = 0.1444 0.0834-0.0000 ( 7469 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5518 -24.5518 -24.5332 -24.5332 -23.9582 -23.9582 -23.9385 -23.9385 -23.8393 -23.8393 -23.7026 -23.7026 -1.2605 -1.2605 0.7961 0.7961 4.6684 4.6684 6.8692 6.8692 7.2387 7.2387 8.1237 8.1237 8.7903 8.7903 8.9146 8.9146 9.0026 9.0026 9.7268 9.7268 10.3287 10.3287 10.6987 10.6987 10.8204 10.8204 k = 0.1556 0.0898-0.0000 ( 7473 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5520 -24.5520 -24.5335 -24.5335 -23.9586 -23.9586 -23.9387 -23.9387 -23.8392 -23.8392 -23.7026 -23.7026 -1.2262 -1.2262 0.7996 0.7996 4.7101 4.7101 6.8364 6.8364 7.2419 7.2419 8.0199 8.0199 8.7504 8.7504 8.8687 8.8687 8.9430 8.9430 9.7461 9.7461 10.3318 10.3318 10.6867 10.6867 10.8217 10.8217 k = 0.1667 0.0962-0.0000 ( 7465 PWs) bands (ev): -47.8463 -47.8463 -47.8305 -47.8305 -24.5521 -24.5521 -24.5338 -24.5338 -23.9590 -23.9590 -23.9390 -23.9390 -23.8392 -23.8392 -23.7026 -23.7026 -1.1896 -1.1896 0.8031 0.8031 4.7547 4.7547 6.7999 6.7999 7.2459 7.2459 7.9109 7.9109 8.7047 8.7047 8.8307 8.8307 8.8853 8.8853 9.7665 9.7665 10.3344 10.3344 10.6747 10.6747 10.8209 10.8209 k = 0.1778 0.1026-0.0000 ( 7461 PWs) bands (ev): -47.8463 -47.8463 -47.8305 -47.8305 -24.5523 -24.5523 -24.5341 -24.5341 -23.9594 -23.9594 -23.9393 -23.9393 -23.8391 -23.8391 -23.7026 -23.7026 -1.1508 -1.1508 0.8066 0.8066 4.8021 4.8021 6.7593 6.7593 7.2505 7.2505 7.7991 7.7991 8.6520 8.6520 8.8002 8.8002 8.8305 8.8305 9.7879 9.7879 10.3366 10.3366 10.6629 10.6629 10.8174 10.8174 k = 0.1889 0.1091-0.0000 ( 7453 PWs) bands (ev): -47.8463 -47.8463 -47.8304 -47.8304 -24.5525 -24.5525 -24.5344 -24.5344 -23.9598 -23.9598 -23.9396 -23.9396 -23.8391 -23.8391 -23.7026 -23.7026 -1.1097 -1.1097 0.8100 0.8100 4.8521 4.8521 6.7142 6.7142 7.2557 7.2557 7.6869 7.6869 8.5939 8.5939 8.7672 8.7672 8.7865 8.7865 9.8104 9.8104 10.3387 10.3387 10.6511 10.6511 10.8110 10.8110 k = 0.2000 0.1155-0.0000 ( 7465 PWs) bands (ev): -47.8462 -47.8462 -47.8304 -47.8304 -24.5526 -24.5526 -24.5347 -24.5347 -23.9602 -23.9602 -23.9399 -23.9399 -23.8390 -23.8390 -23.7026 -23.7026 -1.0665 -1.0665 0.8133 0.8133 4.9047 4.9047 6.6640 6.6640 7.2611 7.2611 7.5764 7.5764 8.5326 8.5326 8.7192 8.7192 8.7636 8.7636 9.8337 9.8337 10.3407 10.3407 10.6394 10.6394 10.8014 10.8014 k = 0.2111 0.1219-0.0000 ( 7457 PWs) bands (ev): -47.8462 -47.8462 -47.8304 -47.8304 -24.5528 -24.5528 -24.5350 -24.5350 -23.9607 -23.9607 -23.9403 -23.9403 -23.8390 -23.8390 -23.7026 -23.7026 -1.0213 -1.0213 0.8163 0.8163 4.9598 4.9598 6.6079 6.6079 7.2666 7.2666 7.4697 7.4697 8.4697 8.4697 8.6700 8.6700 8.7462 8.7462 9.8579 9.8579 10.3428 10.3428 10.6278 10.6278 10.7886 10.7886 k = 0.2222 0.1283-0.0000 ( 7461 PWs) bands (ev): -47.8462 -47.8462 -47.8303 -47.8303 -24.5530 -24.5530 -24.5353 -24.5353 -23.9611 -23.9611 -23.9406 -23.9406 -23.8389 -23.8389 -23.7026 -23.7026 -0.9741 -0.9741 0.8190 0.8190 5.0173 5.0173 6.5453 6.5453 7.2708 7.2708 7.3698 7.3698 8.4062 8.4062 8.6225 8.6225 8.7306 8.7306 9.8828 9.8828 10.3449 10.3449 10.6162 10.6162 10.7728 10.7728 k = 0.2333 0.1347-0.0000 ( 7473 PWs) bands (ev): -47.8461 -47.8461 -47.8303 -47.8303 -24.5532 -24.5532 -24.5356 -24.5356 -23.9616 -23.9616 -23.9409 -23.9409 -23.8388 -23.8388 -23.7026 -23.7026 -0.9250 -0.9250 0.8214 0.8214 5.0771 5.0771 6.4756 6.4756 7.2564 7.2564 7.2956 7.2956 8.3426 8.3426 8.5771 8.5771 8.7156 8.7156 9.9083 9.9083 10.3468 10.3468 10.6046 10.6046 10.7540 10.7540 k = 0.2444 0.1411-0.0000 ( 7469 PWs) bands (ev): -47.8461 -47.8461 -47.8303 -47.8303 -24.5534 -24.5534 -24.5360 -24.5360 -23.9620 -23.9620 -23.9412 -23.9412 -23.8388 -23.8388 -23.7026 -23.7026 -0.8741 -0.8741 0.8232 0.8232 5.1390 5.1390 6.3985 6.3985 7.1809 7.1809 7.2904 7.2904 8.2793 8.2793 8.5339 8.5339 8.7009 8.7009 9.9344 9.9344 10.3486 10.3486 10.5931 10.5931 10.7327 10.7327 k = 0.2556 0.1475-0.0000 ( 7469 PWs) bands (ev): -47.8461 -47.8461 -47.8302 -47.8302 -24.5535 -24.5535 -24.5363 -24.5363 -23.9625 -23.9625 -23.9416 -23.9416 -23.8387 -23.8387 -23.7026 -23.7026 -0.8215 -0.8215 0.8246 0.8246 5.2028 5.2028 6.3142 6.3142 7.1044 7.1044 7.2948 7.2948 8.2165 8.2165 8.4930 8.4930 8.6860 8.6860 9.9608 9.9608 10.3500 10.3500 10.5817 10.5817 10.7090 10.7090 k = 0.2667 0.1540-0.0000 ( 7455 PWs) bands (ev): -47.8460 -47.8460 -47.8302 -47.8302 -24.5537 -24.5537 -24.5366 -24.5366 -23.9629 -23.9629 -23.9419 -23.9419 -23.8386 -23.8386 -23.7026 -23.7026 -0.7673 -0.7673 0.8252 0.8252 5.2683 5.2683 6.2236 6.2236 7.0356 7.0356 7.2999 7.2999 8.1546 8.1546 8.4547 8.4547 8.6708 8.6708 9.9875 9.9875 10.3510 10.3510 10.5703 10.5703 10.6834 10.6834 k = 0.2778 0.1604-0.0000 ( 7457 PWs) bands (ev): -47.8460 -47.8460 -47.8301 -47.8301 -24.5539 -24.5539 -24.5369 -24.5369 -23.9634 -23.9634 -23.9422 -23.9422 -23.8386 -23.8386 -23.7026 -23.7026 -0.7116 -0.7116 0.8251 0.8251 5.3351 5.3351 6.1282 6.1282 6.9747 6.9747 7.3048 7.3048 8.0935 8.0935 8.4188 8.4188 8.6553 8.6553 10.0144 10.0144 10.3514 10.3514 10.5590 10.5590 10.6563 10.6563 k = 0.2889 0.1668-0.0000 ( 7455 PWs) bands (ev): -47.8459 -47.8459 -47.8301 -47.8301 -24.5541 -24.5541 -24.5373 -24.5373 -23.9638 -23.9638 -23.9426 -23.9426 -23.8385 -23.8385 -23.7026 -23.7026 -0.6546 -0.6546 0.8241 0.8241 5.4026 5.4026 6.0299 6.0299 6.9209 6.9209 7.3092 7.3092 8.0333 8.0333 8.3855 8.3855 8.6392 8.6392 10.0412 10.0412 10.3513 10.3513 10.5477 10.5477 10.6281 10.6281 k = 0.3000 0.1732-0.0000 ( 7465 PWs) bands (ev): -47.8459 -47.8459 -47.8301 -47.8301 -24.5543 -24.5543 -24.5376 -24.5376 -23.9642 -23.9642 -23.9429 -23.9429 -23.8384 -23.8384 -23.7026 -23.7026 -0.5964 -0.5964 0.8220 0.8220 5.4693 5.4693 5.9316 5.9316 6.8735 6.8735 7.3130 7.3130 7.9740 7.9740 8.3549 8.3549 8.6227 8.6227 10.0679 10.0679 10.3505 10.3505 10.5363 10.5363 10.5993 10.5993 k = 0.3111 0.1796-0.0000 ( 7475 PWs) bands (ev): -47.8459 -47.8459 -47.8300 -47.8300 -24.5544 -24.5544 -24.5379 -24.5379 -23.9647 -23.9647 -23.9432 -23.9432 -23.8384 -23.8384 -23.7026 -23.7026 -0.5372 -0.5372 0.8189 0.8189 5.5311 5.5311 5.8385 5.8385 6.8315 6.8315 7.3162 7.3162 7.9157 7.9157 8.3269 8.3269 8.6058 8.6058 10.0944 10.0944 10.3490 10.3490 10.5245 10.5245 10.5705 10.5705 k = 0.3222 0.1860-0.0000 ( 7471 PWs) bands (ev): -47.8458 -47.8458 -47.8300 -47.8300 -24.5546 -24.5546 -24.5382 -24.5382 -23.9651 -23.9651 -23.9435 -23.9435 -23.8383 -23.8383 -23.7026 -23.7026 -0.4771 -0.4771 0.8145 0.8145 5.5716 5.5716 5.7683 5.7683 6.7942 6.7942 7.3186 7.3186 7.8582 7.8582 8.3015 8.3015 8.5884 8.5884 10.1203 10.1203 10.3468 10.3468 10.5114 10.5114 10.5428 10.5428 k = 0.3333 0.1925-0.0000 ( 7471 PWs) bands (ev): -47.8458 -47.8458 -47.8300 -47.8300 -24.5548 -24.5548 -24.5385 -24.5385 -23.9655 -23.9655 -23.9438 -23.9438 -23.8382 -23.8382 -23.7026 -23.7026 -0.4163 -0.4163 0.8087 0.8087 5.5478 5.5478 5.7648 5.7648 6.7610 6.7610 7.3201 7.3201 7.8017 7.8017 8.2788 8.2788 8.5708 8.5708 10.1457 10.1457 10.3440 10.3440 10.4945 10.4945 10.5193 10.5193 k = 0.3444 0.1989-0.0000 ( 7467 PWs) bands (ev): -47.8458 -47.8458 -47.8299 -47.8299 -24.5549 -24.5549 -24.5388 -24.5388 -23.9659 -23.9659 -23.9441 -23.9441 -23.8382 -23.8382 -23.7026 -23.7026 -0.3549 -0.3549 0.8014 0.8014 5.4720 5.4720 5.8164 5.8164 6.7315 6.7315 7.3208 7.3208 7.7459 7.7459 8.2586 8.2586 8.5531 8.5531 10.1703 10.1703 10.3406 10.3406 10.4714 10.4714 10.5026 10.5026 k = 0.3556 0.2053-0.0000 ( 7475 PWs) bands (ev): -47.8457 -47.8457 -47.8299 -47.8299 -24.5551 -24.5551 -24.5390 -24.5390 -23.9662 -23.9662 -23.9444 -23.9444 -23.8381 -23.8381 -23.7026 -23.7026 -0.2933 -0.2933 0.7924 0.7924 5.3839 5.3839 5.8842 5.8842 6.7053 6.7053 7.3205 7.3205 7.6910 7.6910 8.2409 8.2409 8.5354 8.5354 10.1939 10.1939 10.3367 10.3367 10.4452 10.4452 10.4899 10.4899 k = 0.3667 0.2117-0.0000 ( 7465 PWs) bands (ev): -47.8457 -47.8457 -47.8299 -47.8299 -24.5552 -24.5552 -24.5393 -24.5393 -23.9666 -23.9666 -23.9446 -23.9446 -23.8381 -23.8381 -23.7026 -23.7026 -0.2316 -0.2316 0.7816 0.7816 5.2950 5.2950 5.9569 5.9569 6.6822 6.6822 7.3192 7.3192 7.6368 7.6368 8.2256 8.2256 8.5179 8.5179 10.2164 10.2164 10.3323 10.3323 10.4189 10.4189 10.4785 10.4785 k = 0.3778 0.2181-0.0000 ( 7465 PWs) bands (ev): -47.8457 -47.8457 -47.8298 -47.8298 -24.5554 -24.5554 -24.5395 -24.5395 -23.9669 -23.9669 -23.9449 -23.9449 -23.8380 -23.8380 -23.7026 -23.7026 -0.1700 -0.1700 0.7688 0.7688 5.2090 5.2090 6.0313 6.0313 6.6622 6.6622 7.3167 7.3167 7.5834 7.5834 8.2125 8.2125 8.5007 8.5007 10.2377 10.2377 10.3274 10.3274 10.3937 10.3937 10.4676 10.4676 k = 0.3889 0.2245-0.0000 ( 7461 PWs) bands (ev): -47.8457 -47.8457 -47.8298 -47.8298 -24.5555 -24.5555 -24.5398 -24.5398 -23.9672 -23.9672 -23.9451 -23.9451 -23.8380 -23.8380 -23.7026 -23.7026 -0.1088 -0.1088 0.7540 0.7540 5.1274 5.1274 6.1059 6.1059 6.6452 6.6452 7.3127 7.3127 7.5311 7.5311 8.2015 8.2015 8.4841 8.4841 10.2576 10.2576 10.3217 10.3217 10.3704 10.3704 10.4571 10.4571 k = 0.4000 0.2309-0.0000 ( 7457 PWs) bands (ev): -47.8456 -47.8456 -47.8298 -47.8298 -24.5556 -24.5556 -24.5400 -24.5400 -23.9675 -23.9675 -23.9453 -23.9453 -23.8379 -23.8379 -23.7025 -23.7025 -0.0483 -0.0483 0.7369 0.7369 5.0513 5.0513 6.1797 6.1797 6.6315 6.6315 7.3064 7.3064 7.4806 7.4806 8.1923 8.1923 8.4683 8.4683 10.2758 10.2758 10.3147 10.3147 10.3502 10.3502 10.4467 10.4467 k = 0.4111 0.2374-0.0000 ( 7455 PWs) bands (ev): -47.8456 -47.8456 -47.8298 -47.8298 -24.5557 -24.5557 -24.5401 -24.5401 -23.9677 -23.9677 -23.9455 -23.9455 -23.8379 -23.8379 -23.7025 -23.7025 0.0112 0.0112 0.7176 0.7176 4.9813 4.9813 6.2514 6.2514 6.6218 6.6218 7.2961 7.2961 7.4336 7.4336 8.1848 8.1848 8.4535 8.4535 10.2920 10.2920 10.3050 10.3050 10.3350 10.3350 10.4365 10.4365 k = 0.4222 0.2438-0.0000 ( 7451 PWs) bands (ev): -47.8456 -47.8456 -47.8298 -47.8298 -24.5558 -24.5558 -24.5403 -24.5403 -23.9679 -23.9679 -23.9456 -23.9456 -23.8378 -23.8378 -23.7025 -23.7025 0.0694 0.0694 0.6959 0.6959 4.9181 4.9181 6.3192 6.3192 6.6172 6.6172 7.2781 7.2781 7.3938 7.3938 8.1789 8.1789 8.4399 8.4399 10.2911 10.2911 10.3069 10.3069 10.3259 10.3259 10.4266 10.4266 k = 0.4333 0.2502-0.0000 ( 7447 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5559 -24.5559 -24.5405 -24.5405 -23.9681 -23.9681 -23.9458 -23.9458 -23.8378 -23.8378 -23.7025 -23.7025 0.1260 0.1260 0.6719 0.6719 4.8623 4.8623 6.3801 6.3801 6.6205 6.6205 7.2478 7.2478 7.3658 7.3658 8.1741 8.1741 8.4276 8.4276 10.2771 10.2771 10.3140 10.3140 10.3253 10.3253 10.4172 10.4172 k = 0.4444 0.2566-0.0000 ( 7452 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5560 -24.5560 -24.5406 -24.5406 -23.9683 -23.9683 -23.9459 -23.9459 -23.8378 -23.8378 -23.7025 -23.7025 0.1804 0.1804 0.6456 0.6456 4.8143 4.8143 6.4292 6.4292 6.6358 6.6358 7.2055 7.2055 7.3493 7.3493 8.1705 8.1705 8.4169 8.4169 10.2638 10.2638 10.3118 10.3118 10.3341 10.3341 10.4084 10.4084 k = 0.4556 0.2630-0.0000 ( 7464 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5560 -24.5560 -24.5407 -24.5407 -23.9684 -23.9684 -23.9460 -23.9460 -23.8378 -23.8378 -23.7025 -23.7025 0.2321 0.2321 0.6175 0.6175 4.7744 4.7744 6.4622 6.4622 6.6669 6.6669 7.1559 7.1559 7.3400 7.3400 8.1679 8.1679 8.4079 8.4079 10.2523 10.2523 10.3088 10.3088 10.3429 10.3429 10.4006 10.4006 k = 0.4667 0.2694-0.0000 ( 7474 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5561 -24.5561 -24.5408 -24.5408 -23.9686 -23.9686 -23.9461 -23.9461 -23.8378 -23.8378 -23.7025 -23.7025 0.2799 0.2799 0.5882 0.5882 4.7430 4.7430 6.4802 6.4802 6.7116 6.7116 7.1031 7.1031 7.3345 7.3345 8.1659 8.1659 8.4008 8.4008 10.2431 10.2431 10.3063 10.3063 10.3499 10.3499 10.3941 10.3941 k = 0.4778 0.2758-0.0000 ( 7478 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5561 -24.5561 -24.5408 -24.5408 -23.9686 -23.9686 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3221 0.3221 0.5595 0.5595 4.7204 4.7204 6.4888 6.4888 6.7625 6.7625 7.0503 7.0503 7.3312 7.3312 8.1647 8.1647 8.3956 8.3956 10.2364 10.2364 10.3045 10.3045 10.3550 10.3550 10.3893 10.3893 k = 0.4889 0.2823-0.0000 ( 7474 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3540 0.3540 0.5357 0.5357 4.7068 4.7068 6.4925 6.4925 6.8095 6.8095 7.0035 7.0035 7.3293 7.3293 8.1639 8.1639 8.3924 8.3924 10.2323 10.2323 10.3034 10.3034 10.3580 10.3580 10.3862 10.3862 k = 0.5000 0.2887-0.0000 ( 7484 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3668 0.3668 0.5255 0.5255 4.7022 4.7022 6.4935 6.4935 6.8322 6.8322 6.9811 6.9811 7.3288 7.3288 8.1637 8.1637 8.3914 8.3914 10.2309 10.2309 10.3030 10.3030 10.3590 10.3590 10.3852 10.3852 k = 0.5000 0.2887-0.0000 ( 7484 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3668 0.3668 0.5255 0.5255 4.7022 4.7022 6.4935 6.4935 6.8322 6.8322 6.9811 6.9811 7.3288 7.3288 8.1637 8.1637 8.3914 8.3914 10.2309 10.2309 10.3030 10.3030 10.3590 10.3590 10.3852 10.3852 k = 0.4936 0.2998-0.0000 ( 7492 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3673 0.3673 0.5261 0.5261 4.7032 4.7032 6.4913 6.4913 6.8332 6.8332 6.9804 6.9804 7.3312 7.3312 8.1187 8.1187 8.4329 8.4329 10.2307 10.2307 10.3033 10.3033 10.3606 10.3606 10.3856 10.3856 k = 0.4872 0.3109-0.0000 ( 7484 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3687 0.3687 0.5279 0.5279 4.7062 4.7062 6.4847 6.4847 6.8364 6.8364 6.9785 6.9785 7.3385 7.3385 8.0266 8.0266 8.5149 8.5149 10.2302 10.2302 10.3042 10.3042 10.3655 10.3655 10.3868 10.3868 k = 0.4808 0.3220-0.0000 ( 7471 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3710 0.3710 0.5308 0.5308 4.7111 4.7111 6.4740 6.4740 6.8415 6.8415 6.9755 6.9755 7.3500 7.3500 7.9204 7.9204 8.6045 8.6045 10.2293 10.2293 10.3055 10.3055 10.3734 10.3734 10.3888 10.3888 k = 0.4744 0.3331-0.0000 ( 7481 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5409 -24.5409 -23.9688 -23.9688 -23.9463 -23.9463 -23.8377 -23.8377 -23.7025 -23.7025 0.3743 0.3743 0.5348 0.5348 4.7179 4.7179 6.4595 6.4595 6.8485 6.8485 6.9717 6.9717 7.3652 7.3652 7.8087 7.8087 8.6934 8.6934 10.2280 10.2280 10.3072 10.3072 10.3839 10.3839 10.3922 10.3922 k = 0.4679 0.3442-0.0000 ( 7479 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5410 -24.5410 -23.9688 -23.9688 -23.9463 -23.9463 -23.8377 -23.8377 -23.7025 -23.7025 0.3785 0.3785 0.5399 0.5399 4.7266 4.7266 6.4417 6.4417 6.8571 6.8571 6.9672 6.9672 7.3830 7.3830 7.6951 7.6951 8.7790 8.7790 10.2263 10.2263 10.3091 10.3091 10.3925 10.3925 10.4015 10.4015 k = 0.4615 0.3553-0.0000 ( 7483 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5410 -24.5410 -23.9689 -23.9689 -23.9463 -23.9463 -23.8377 -23.8377 -23.7025 -23.7025 0.3836 0.3836 0.5459 0.5459 4.7371 4.7371 6.4209 6.4209 6.8670 6.8670 6.9622 6.9622 7.4019 7.4019 7.5823 7.5823 8.8603 8.8603 10.2242 10.2242 10.3110 10.3110 10.3973 10.3973 10.4183 10.4183 k = 0.4551 0.3664-0.0000 ( 7469 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5410 -24.5410 -23.9689 -23.9689 -23.9464 -23.9464 -23.8377 -23.8377 -23.7025 -23.7025 0.3895 0.3895 0.5529 0.5529 4.7493 4.7493 6.3978 6.3978 6.8778 6.8778 6.9566 6.9566 7.4115 7.4115 7.4815 7.4815 8.9369 8.9369 10.2218 10.2218 10.3129 10.3129 10.4021 10.4021 10.4388 10.4388 k = 0.4487 0.3775-0.0000 ( 7477 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5411 -24.5411 -23.9690 -23.9690 -23.9464 -23.9464 -23.8377 -23.8377 -23.7025 -23.7025 0.3963 0.3963 0.5607 0.5607 4.7632 4.7632 6.3726 6.3726 6.8883 6.8883 6.9503 6.9503 7.3427 7.3427 7.4634 7.4634 9.0085 9.0085 10.2190 10.2190 10.3143 10.3143 10.4075 10.4075 10.4624 10.4624 k = 0.4423 0.3886-0.0000 ( 7481 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5563 -24.5563 -24.5411 -24.5411 -23.9691 -23.9691 -23.9465 -23.9465 -23.8377 -23.8377 -23.7025 -23.7025 0.4039 0.4039 0.5691 0.5691 4.7786 4.7786 6.3457 6.3457 6.8952 6.8952 6.9442 6.9442 7.2424 7.2424 7.4838 7.4838 9.0751 9.0751 10.2159 10.2159 10.3153 10.3153 10.4135 10.4135 10.4889 10.4889 k = 0.4359 0.3997-0.0000 ( 7477 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5563 -24.5563 -24.5412 -24.5412 -23.9692 -23.9692 -23.9465 -23.9465 -23.8377 -23.8377 -23.7025 -23.7025 0.4124 0.4124 0.5782 0.5782 4.7954 4.7954 6.3175 6.3175 6.8876 6.8876 6.9433 6.9433 7.1517 7.1517 7.5075 7.5075 9.1368 9.1368 10.2124 10.2124 10.3154 10.3154 10.4202 10.4202 10.5181 10.5181 k = 0.4295 0.4108-0.0000 ( 7479 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5563 -24.5563 -24.5413 -24.5413 -23.9693 -23.9693 -23.9466 -23.9466 -23.8377 -23.8377 -23.7026 -23.7026 0.4216 0.4216 0.5876 0.5876 4.8135 4.8135 6.2881 6.2881 6.8520 6.8520 6.9513 6.9513 7.0836 7.0836 7.5318 7.5318 9.1937 9.1937 10.2087 10.2087 10.3146 10.3146 10.4275 10.4275 10.5497 10.5497 k = 0.4231 0.4219-0.0000 ( 7479 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5564 -24.5564 -24.5413 -24.5413 -23.9694 -23.9694 -23.9467 -23.9467 -23.8377 -23.8377 -23.7026 -23.7026 0.4316 0.4316 0.5972 0.5972 4.8326 4.8326 6.2578 6.2578 6.7878 6.7878 6.9632 6.9632 7.0450 7.0450 7.5558 7.5558 9.2461 9.2461 10.2048 10.2048 10.3128 10.3128 10.4355 10.4355 10.5832 10.5832 k = 0.4167 0.4330-0.0000 ( 7471 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5564 -24.5564 -24.5414 -24.5414 -23.9695 -23.9695 -23.9467 -23.9467 -23.8377 -23.8377 -23.7026 -23.7026 0.4422 0.4422 0.6069 0.6069 4.8524 4.8524 6.2265 6.2265 6.7066 6.7066 6.9747 6.9747 7.0293 7.0293 7.5791 7.5791 9.2942 9.2942 10.2008 10.2008 10.3098 10.3098 10.4442 10.4442 10.6180 10.6180 k = 0.4103 0.4441-0.0000 ( 7483 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5564 -24.5564 -24.5414 -24.5414 -23.9696 -23.9696 -23.9468 -23.9468 -23.8377 -23.8377 -23.7026 -23.7026 0.4536 0.4536 0.6164 0.6164 4.8728 4.8728 6.1943 6.1943 6.6202 6.6202 6.9828 6.9828 7.0284 7.0284 7.6012 7.6012 9.3382 9.3382 10.1967 10.1967 10.3055 10.3055 10.4536 10.4536 10.6523 10.6523 k = 0.4038 0.4552-0.0000 ( 7471 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5565 -24.5565 -24.5415 -24.5415 -23.9697 -23.9697 -23.9469 -23.9469 -23.8377 -23.8377 -23.7026 -23.7026 0.4655 0.4655 0.6255 0.6255 4.8933 4.8933 6.1609 6.1609 6.5355 6.5355 6.9874 6.9874 7.0368 7.0368 7.6220 7.6220 9.3784 9.3784 10.1926 10.1926 10.3001 10.3001 10.4637 10.4637 10.6832 10.6832 k = 0.3974 0.4663-0.0000 ( 7467 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5565 -24.5565 -24.5416 -24.5416 -23.9698 -23.9698 -23.9469 -23.9469 -23.8377 -23.8377 -23.7026 -23.7026 0.4780 0.4780 0.6340 0.6340 4.9135 4.9135 6.1262 6.1262 6.4562 6.4562 6.9906 6.9906 7.0494 7.0494 7.6413 7.6413 9.4150 9.4150 10.1885 10.1885 10.2935 10.2935 10.4745 10.4745 10.7054 10.7054 k = 0.3910 0.4774-0.0000 ( 7477 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5565 -24.5565 -24.5416 -24.5416 -23.9699 -23.9699 -23.9470 -23.9470 -23.8376 -23.8376 -23.7026 -23.7026 0.4910 0.4910 0.6416 0.6416 4.9330 4.9330 6.0900 6.0900 6.3846 6.3846 6.9941 6.9941 7.0632 7.0632 7.6587 7.6587 9.4481 9.4481 10.1847 10.1847 10.2859 10.2859 10.4859 10.4859 10.7152 10.7153 k = 0.3846 0.4885-0.0000 ( 7481 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5417 -24.5417 -23.9699 -23.9699 -23.9470 -23.9470 -23.8376 -23.8376 -23.7026 -23.7026 0.5045 0.5045 0.6480 0.6480 4.9512 4.9512 6.0526 6.0526 6.3224 6.3224 6.9984 6.9984 7.0767 7.0767 7.6743 7.6743 9.4779 9.4779 10.1812 10.1812 10.2775 10.2775 10.4981 10.4981 10.7149 10.7149 k = 0.3782 0.4996-0.0000 ( 7481 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5418 -24.5418 -23.9700 -23.9700 -23.9471 -23.9471 -23.8376 -23.8376 -23.7026 -23.7026 0.5184 0.5184 0.6529 0.6529 4.9676 4.9676 6.0147 6.0147 6.2699 6.2699 7.0037 7.0037 7.0889 7.0889 7.6880 7.6880 9.5045 9.5045 10.1780 10.1780 10.2685 10.2685 10.5108 10.5108 10.7081 10.7089 k = 0.3718 0.5107-0.0000 ( 7481 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5418 -24.5418 -23.9701 -23.9701 -23.9472 -23.9472 -23.8376 -23.8376 -23.7026 -23.7026 0.5327 0.5327 0.6561 0.6561 4.9816 4.9816 5.9781 5.9781 6.2269 6.2269 7.0101 7.0101 7.0992 7.0992 7.6996 7.6996 9.5278 9.5278 10.1753 10.1753 10.2593 10.2593 10.5243 10.5243 10.6954 10.6955 k = 0.3654 0.5218-0.0000 ( 7483 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5419 -24.5419 -23.9702 -23.9702 -23.9472 -23.9472 -23.8376 -23.8376 -23.7026 -23.7026 0.5472 0.5472 0.6573 0.6573 4.9928 4.9928 5.9448 5.9448 6.1923 6.1923 7.0174 7.0174 7.1071 7.1071 7.7091 7.7091 9.5479 9.5479 10.1731 10.1731 10.2501 10.2501 10.5383 10.5383 10.6799 10.6799 k = 0.3590 0.5329-0.0000 ( 7479 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5419 -24.5419 -23.9702 -23.9702 -23.9472 -23.9472 -23.8376 -23.8376 -23.7026 -23.7026 0.5620 0.5620 0.6561 0.6561 5.0009 5.0009 5.9166 5.9166 6.1650 6.1650 7.0258 7.0258 7.1122 7.1122 7.7166 7.7166 9.5646 9.5646 10.1714 10.1714 10.2415 10.2415 10.5529 10.5529 10.6647 10.6647 k = 0.3526 0.5440-0.0000 ( 7499 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5419 -24.5419 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.5769 0.5769 0.6523 0.6523 5.0060 5.0060 5.8949 5.8949 6.1442 6.1442 7.0349 7.0349 7.1142 7.1142 7.7223 7.7223 9.5779 9.5779 10.1702 10.1702 10.2339 10.2339 10.5680 10.5680 10.6508 10.6509 k = 0.3462 0.5551-0.0000 ( 7495 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.5919 0.5919 0.6456 0.6456 5.0085 5.0085 5.8802 5.8802 6.1293 6.1293 7.0444 7.0444 7.1132 7.1132 7.7260 7.7260 9.5876 9.5876 10.1693 10.1693 10.2279 10.2279 10.5830 10.5830 10.6389 10.6389 k = 0.3397 0.5662-0.0000 ( 7495 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.6069 0.6069 0.6358 0.6358 5.0092 5.0092 5.8721 5.8721 6.1203 6.1203 7.0529 7.0529 7.1099 7.1099 7.7282 7.7282 9.5935 9.5935 10.1688 10.1688 10.2241 10.2241 10.5960 10.5960 10.6313 10.6313 k = 0.3333 0.5774-0.0000 ( 7479 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9704 -23.9704 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.6194 0.6194 0.6251 0.6251 5.0091 5.0091 5.8697 5.8697 6.1172 6.1172 7.0571 7.0571 7.1075 7.1075 7.7288 7.7288 9.5955 9.5955 10.1686 10.1686 10.2228 10.2228 10.6011 10.6012 10.6308 10.6315 k = 0.3333 0.5774-0.0000 ( 7479 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9704 -23.9704 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.6194 0.6194 0.6251 0.6251 5.0091 5.0091 5.8697 5.8697 6.1172 6.1172 7.0571 7.0571 7.1075 7.1075 7.7288 7.7288 9.5955 9.5955 10.1686 10.1686 10.2228 10.2228 10.6011 10.6011 10.6308 10.6308 k = 0.3269 0.5662-0.0000 ( 7489 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.6052 0.6052 0.6374 0.6374 5.0096 5.0096 5.8716 5.8716 6.1204 6.1204 7.0512 7.0512 7.1115 7.1115 7.7283 7.7283 9.5934 9.5934 10.1689 10.1689 10.2241 10.2241 10.5984 10.5984 10.6255 10.6255 k = 0.3205 0.5551-0.0000 ( 7493 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.5848 0.5848 0.6521 0.6521 5.0118 5.0118 5.8764 5.8764 6.1302 6.1302 7.0342 7.0342 7.1228 7.1228 7.7267 7.7267 9.5874 9.5874 10.1700 10.1700 10.2280 10.2280 10.5941 10.5941 10.6166 10.6166 k = 0.3141 0.5440-0.0000 ( 7485 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5419 -24.5419 -23.9703 -23.9703 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.5606 0.5606 0.6666 0.6666 5.0170 5.0170 5.8829 5.8829 6.1466 6.1466 7.0089 7.0089 7.1385 7.1385 7.7245 7.7245 9.5775 9.5775 10.1722 10.1722 10.2342 10.2342 10.5904 10.5904 10.6077 10.6077 k = 0.3077 0.5329-0.0000 ( 7489 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5419 -24.5419 -23.9702 -23.9702 -23.9472 -23.9472 -23.8376 -23.8376 -23.7026 -23.7026 0.5326 0.5326 0.6808 0.6808 5.0261 5.0261 5.8902 5.8902 6.1695 6.1695 6.9771 6.9771 7.1569 7.1569 7.7218 7.7218 9.5639 9.5639 10.1758 10.1758 10.2425 10.2425 10.5872 10.5872 10.5999 10.5999 k = 0.3013 0.5218-0.0000 ( 7493 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5418 -24.5418 -23.9701 -23.9701 -23.9472 -23.9472 -23.8376 -23.8376 -23.7026 -23.7026 0.5008 0.5008 0.6947 0.6947 5.0399 5.0399 5.8980 5.8980 6.1982 6.1982 6.9395 6.9395 7.1774 7.1774 7.7191 7.7191 9.5468 9.5468 10.1808 10.1808 10.2527 10.2527 10.5832 10.5832 10.5943 10.5943 k = 0.2949 0.5107-0.0000 ( 7485 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5418 -24.5418 -23.9700 -23.9700 -23.9471 -23.9471 -23.8376 -23.8376 -23.7026 -23.7026 0.4653 0.4653 0.7081 0.7081 5.0591 5.0591 5.9063 5.9063 6.2319 6.2319 6.8969 6.8969 7.1997 7.1997 7.7167 7.7167 9.5266 9.5266 10.1872 10.1872 10.2646 10.2646 10.5774 10.5774 10.5914 10.5914 k = 0.2885 0.4996-0.0000 ( 7473 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5417 -24.5417 -23.9699 -23.9699 -23.9470 -23.9470 -23.8377 -23.8377 -23.7026 -23.7026 0.4263 0.4263 0.7210 0.7210 5.0841 5.0841 5.9151 5.9151 6.2693 6.2693 6.8498 6.8498 7.2237 7.2237 7.7147 7.7147 9.5037 9.5037 10.1949 10.1949 10.2781 10.2781 10.5708 10.5708 10.5893 10.5893 k = 0.2821 0.4885-0.0000 ( 7477 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5565 -24.5565 -24.5416 -24.5416 -23.9698 -23.9698 -23.9469 -23.9469 -23.8377 -23.8377 -23.7026 -23.7026 0.3839 0.3839 0.7335 0.7335 5.1152 5.1152 5.9247 5.9247 6.3094 6.3094 6.7991 6.7991 7.2493 7.2493 7.7137 7.7137 9.4784 9.4784 10.2036 10.2036 10.2930 10.2930 10.5643 10.5643 10.5862 10.5862 k = 0.2756 0.4774-0.0000 ( 7473 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5564 -24.5564 -24.5414 -24.5414 -23.9696 -23.9696 -23.9468 -23.9468 -23.8377 -23.8377 -23.7026 -23.7026 0.3383 0.3383 0.7453 0.7453 5.1525 5.1525 5.9351 5.9351 6.3506 6.3506 6.7461 6.7461 7.2765 7.2765 7.7138 7.7138 9.4512 9.4512 10.2132 10.2132 10.3094 10.3094 10.5581 10.5581 10.5808 10.5808 k = 0.2692 0.4663-0.0000 ( 7479 PWs) bands (ev): -47.8455 -47.8455 -47.8296 -47.8296 -24.5564 -24.5564 -24.5413 -24.5413 -23.9694 -23.9694 -23.9467 -23.9467 -23.8377 -23.8377 -23.7026 -23.7026 0.2898 0.2898 0.7565 0.7565 5.1961 5.1961 5.9466 5.9466 6.3904 6.3904 6.6930 6.6930 7.3052 7.3052 7.7154 7.7154 9.4224 9.4224 10.2235 10.2235 10.3270 10.3270 10.5519 10.5519 10.5722 10.5722 k = 0.2628 0.4552-0.0000 ( 7479 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5563 -24.5563 -24.5412 -24.5412 -23.9692 -23.9692 -23.9465 -23.9465 -23.8377 -23.8377 -23.7026 -23.7026 0.2386 0.2386 0.7670 0.7670 5.2460 5.2460 5.9588 5.9588 6.4237 6.4237 6.6454 6.6454 7.3353 7.3353 7.7188 7.7188 9.3924 9.3924 10.2343 10.2343 10.3459 10.3459 10.5440 10.5440 10.5611 10.5611 k = 0.2564 0.4441-0.0000 ( 7471 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5562 -24.5562 -24.5410 -24.5410 -23.9690 -23.9690 -23.9463 -23.9463 -23.8378 -23.8378 -23.7026 -23.7026 0.1851 0.1851 0.7767 0.7767 5.3020 5.3020 5.9716 5.9716 6.4376 6.4376 6.6163 6.6163 7.3669 7.3669 7.7242 7.7242 9.3615 9.3615 10.2454 10.2454 10.3658 10.3658 10.5296 10.5296 10.5523 10.5523 k = 0.2500 0.4330-0.0000 ( 7471 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5408 -24.5408 -23.9687 -23.9687 -23.9462 -23.9462 -23.8378 -23.8378 -23.7026 -23.7026 0.1295 0.1295 0.7858 0.7858 5.3640 5.3640 5.9843 5.9843 6.4175 6.4175 6.6210 6.6210 7.3998 7.3998 7.7319 7.7319 9.3300 9.3300 10.2567 10.2567 10.3868 10.3868 10.5073 10.5073 10.5476 10.5476 k = 0.2436 0.4219-0.0000 ( 7479 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5560 -24.5560 -24.5406 -24.5406 -23.9685 -23.9685 -23.9460 -23.9460 -23.8378 -23.8378 -23.7026 -23.7026 0.0721 0.0721 0.7941 0.7941 5.4318 5.4318 5.9956 5.9956 6.3732 6.3732 6.6512 6.6512 7.4340 7.4340 7.7422 7.7422 9.2982 9.2982 10.2679 10.2679 10.4087 10.4087 10.4800 10.4800 10.5450 10.5450 k = 0.2372 0.4108-0.0000 ( 7483 PWs) bands (ev): -47.8456 -47.8456 -47.8297 -47.8297 -24.5559 -24.5559 -24.5404 -24.5404 -23.9682 -23.9682 -23.9457 -23.9457 -23.8379 -23.8379 -23.7026 -23.7026 0.0133 0.0133 0.8016 0.8016 5.5051 5.5051 6.0030 6.0030 6.3224 6.3224 6.6916 6.6916 7.4694 7.4694 7.7554 7.7554 9.2665 9.2665 10.2789 10.2789 10.4313 10.4313 10.4497 10.4497 10.5438 10.5438 k = 0.2308 0.3997-0.0000 ( 7487 PWs) bands (ev): -47.8456 -47.8456 -47.8298 -47.8298 -24.5557 -24.5557 -24.5402 -24.5402 -23.9678 -23.9678 -23.9455 -23.9455 -23.8379 -23.8379 -23.7026 -23.7026 -0.0467 -0.0467 0.8082 0.8082 5.5835 5.5835 6.0019 6.0019 6.2766 6.2766 6.7354 6.7354 7.5060 7.5060 7.7717 7.7717 9.2349 9.2349 10.2897 10.2897 10.4172 10.4172 10.4545 10.4545 10.5439 10.5439 k = 0.2244 0.3886-0.0000 ( 7491 PWs) bands (ev): -47.8456 -47.8456 -47.8298 -47.8298 -24.5556 -24.5556 -24.5399 -24.5399 -23.9675 -23.9675 -23.9453 -23.9453 -23.8380 -23.8380 -23.7026 -23.7026 -0.1077 -0.1077 0.8141 0.8141 5.6667 5.6667 5.9857 5.9857 6.2452 6.2452 6.7802 6.7802 7.5435 7.5435 7.7914 7.7914 9.2039 9.2039 10.3000 10.3000 10.3835 10.3835 10.4778 10.4778 10.5453 10.5453 k = 0.2179 0.3775-0.0000 ( 7485 PWs) bands (ev): -47.8457 -47.8457 -47.8298 -47.8298 -24.5555 -24.5555 -24.5397 -24.5397 -23.9672 -23.9672 -23.9450 -23.9450 -23.8380 -23.8380 -23.7026 -23.7026 -0.1692 -0.1692 0.8192 0.8192 5.7533 5.7533 5.9513 5.9513 6.2335 6.2335 6.8244 6.8244 7.5819 7.5819 7.8147 7.8147 9.1736 9.1736 10.3098 10.3098 10.3491 10.3491 10.5005 10.5005 10.5488 10.5488 k = 0.2115 0.3664-0.0000 ( 7477 PWs) bands (ev): -47.8457 -47.8457 -47.8299 -47.8299 -24.5553 -24.5553 -24.5394 -24.5394 -23.9668 -23.9668 -23.9448 -23.9448 -23.8381 -23.8381 -23.7026 -23.7026 -0.2310 -0.2310 0.8235 0.8235 5.8341 5.8341 5.9112 5.9112 6.2387 6.2387 6.8675 6.8675 7.6212 7.6212 7.8418 7.8418 9.1442 9.1442 10.3139 10.3139 10.3192 10.3192 10.5205 10.5205 10.5563 10.5563 k = 0.2051 0.3553-0.0000 ( 7473 PWs) bands (ev): -47.8457 -47.8457 -47.8299 -47.8299 -24.5551 -24.5551 -24.5392 -24.5392 -23.9664 -23.9664 -23.9445 -23.9445 -23.8381 -23.8381 -23.7026 -23.7026 -0.2930 -0.2930 0.8271 0.8271 5.8220 5.8220 5.9583 5.9583 6.2552 6.2552 6.9090 6.9090 7.6613 7.6613 7.8728 7.8728 9.1160 9.1160 10.2790 10.2790 10.3274 10.3274 10.5343 10.5343 10.5710 10.5710 k = 0.1987 0.3442-0.0000 ( 7477 PWs) bands (ev): -47.8458 -47.8458 -47.8299 -47.8299 -24.5550 -24.5550 -24.5389 -24.5389 -23.9660 -23.9660 -23.9442 -23.9442 -23.8382 -23.8382 -23.7026 -23.7026 -0.3549 -0.3549 0.8299 0.8299 5.7587 5.7587 6.0552 6.0552 6.2785 6.2785 6.9483 6.9483 7.7023 7.7023 7.9078 7.9078 9.0891 9.0891 10.2440 10.2440 10.3349 10.3349 10.5426 10.5426 10.5921 10.5921 k = 0.1923 0.3331-0.0000 ( 7473 PWs) bands (ev): -47.8458 -47.8458 -47.8300 -47.8300 -24.5548 -24.5548 -24.5386 -24.5386 -23.9656 -23.9656 -23.9439 -23.9439 -23.8382 -23.8382 -23.7026 -23.7026 -0.4164 -0.4164 0.8319 0.8319 5.6894 5.6894 6.1592 6.1592 6.3063 6.3063 6.9853 6.9853 7.7444 7.7444 7.9466 7.9466 9.0636 9.0636 10.2092 10.2092 10.3416 10.3416 10.5489 10.5489 10.6160 10.6160 k = 0.1859 0.3220-0.0000 ( 7479 PWs) bands (ev): -47.8458 -47.8458 -47.8300 -47.8300 -24.5546 -24.5546 -24.5383 -24.5383 -23.9652 -23.9652 -23.9436 -23.9436 -23.8383 -23.8383 -23.7026 -23.7026 -0.4774 -0.4774 0.8333 0.8333 5.6184 5.6184 6.2670 6.2670 6.3373 6.3373 7.0197 7.0197 7.7877 7.7877 7.9891 7.9891 9.0397 9.0397 10.1747 10.1747 10.3474 10.3474 10.5548 10.5548 10.6406 10.6406 k = 0.1795 0.3109-0.0000 ( 7475 PWs) bands (ev): -47.8459 -47.8459 -47.8300 -47.8300 -24.5545 -24.5545 -24.5379 -24.5379 -23.9648 -23.9648 -23.9433 -23.9433 -23.8384 -23.8384 -23.7026 -23.7026 -0.5376 -0.5376 0.8339 0.8339 5.5469 5.5469 6.3648 6.3648 6.3838 6.3838 7.0514 7.0514 7.8324 7.8324 8.0350 8.0350 9.0176 9.0176 10.1406 10.1406 10.3522 10.3522 10.5609 10.5609 10.6653 10.6653 k = 0.1731 0.2998-0.0000 ( 7471 PWs) bands (ev): -47.8459 -47.8459 -47.8301 -47.8301 -24.5543 -24.5543 -24.5376 -24.5376 -23.9643 -23.9643 -23.9429 -23.9429 -23.8384 -23.8384 -23.7026 -23.7026 -0.5969 -0.5969 0.8340 0.8340 5.4757 5.4757 6.4025 6.4025 6.4948 6.4948 7.0802 7.0802 7.8789 7.8789 8.0842 8.0842 8.9974 8.9974 10.1071 10.1071 10.3560 10.3560 10.5675 10.5675 10.6895 10.6895 k = 0.1667 0.2887-0.0000 ( 7461 PWs) bands (ev): -47.8459 -47.8459 -47.8301 -47.8301 -24.5541 -24.5541 -24.5373 -24.5373 -23.9639 -23.9639 -23.9426 -23.9426 -23.8385 -23.8385 -23.7026 -23.7026 -0.6552 -0.6552 0.8335 0.8335 5.4054 5.4054 6.4381 6.4381 6.6117 6.6117 7.1061 7.1061 7.9272 7.9272 8.1363 8.1363 8.9790 8.9790 10.0741 10.0741 10.3589 10.3589 10.5744 10.5744 10.7129 10.7129 k = 0.1603 0.2776-0.0000 ( 7457 PWs) bands (ev): -47.8460 -47.8460 -47.8301 -47.8301 -24.5539 -24.5539 -24.5370 -24.5370 -23.9634 -23.9634 -23.9423 -23.9423 -23.8386 -23.8386 -23.7026 -23.7026 -0.7122 -0.7122 0.8324 0.8324 5.3363 5.3363 6.4743 6.4743 6.7309 6.7309 7.1290 7.1290 7.9778 7.9778 8.1910 8.1910 8.9627 8.9627 10.0419 10.0419 10.3609 10.3609 10.5819 10.5819 10.7352 10.7352 k = 0.1538 0.2665-0.0000 ( 7451 PWs) bands (ev): -47.8460 -47.8460 -47.8302 -47.8302 -24.5537 -24.5537 -24.5366 -24.5366 -23.9629 -23.9629 -23.9419 -23.9419 -23.8386 -23.8386 -23.7026 -23.7026 -0.7679 -0.7679 0.8309 0.8309 5.2686 5.2686 6.5109 6.5109 6.8521 6.8521 7.1491 7.1491 8.0305 8.0305 8.2482 8.2482 8.9484 8.9484 10.0103 10.0103 10.3620 10.3620 10.5899 10.5899 10.7561 10.7561 k = 0.1474 0.2554-0.0000 ( 7459 PWs) bands (ev): -47.8461 -47.8461 -47.8302 -47.8302 -24.5536 -24.5536 -24.5363 -24.5363 -23.9625 -23.9625 -23.9416 -23.9416 -23.8387 -23.8387 -23.7026 -23.7026 -0.8221 -0.8221 0.8289 0.8289 5.2027 5.2027 6.5477 6.5477 6.9746 6.9746 7.1663 7.1663 8.0856 8.0856 8.3074 8.3074 8.9363 8.9363 9.9796 9.9796 10.3623 10.3623 10.5982 10.5982 10.7751 10.7751 k = 0.1410 0.2443-0.0000 ( 7459 PWs) bands (ev): -47.8461 -47.8461 -47.8303 -47.8303 -24.5534 -24.5534 -24.5360 -24.5360 -23.9620 -23.9620 -23.9412 -23.9412 -23.8388 -23.8388 -23.7026 -23.7026 -0.8747 -0.8747 0.8265 0.8265 5.1386 5.1386 6.5845 6.5845 7.0980 7.0980 7.1810 7.1810 8.1429 8.1429 8.3687 8.3687 8.9263 8.9263 9.9497 9.9497 10.3619 10.3619 10.6070 10.6070 10.7921 10.7921 k = 0.1346 0.2332-0.0000 ( 7431 PWs) bands (ev): -47.8461 -47.8461 -47.8303 -47.8303 -24.5532 -24.5532 -24.5356 -24.5356 -23.9616 -23.9616 -23.9409 -23.9409 -23.8388 -23.8388 -23.7026 -23.7026 -0.9256 -0.9256 0.8238 0.8238 5.0766 5.0766 6.6211 6.6211 7.1918 7.1918 7.2232 7.2232 8.2025 8.2025 8.4316 8.4316 8.9187 8.9187 9.9207 9.9207 10.3609 10.3609 10.6162 10.6162 10.8067 10.8067 k = 0.1282 0.2221-0.0000 ( 7431 PWs) bands (ev): -47.8462 -47.8462 -47.8303 -47.8303 -24.5530 -24.5530 -24.5353 -24.5353 -23.9611 -23.9611 -23.9406 -23.9406 -23.8389 -23.8389 -23.7026 -23.7026 -0.9747 -0.9747 0.8208 0.8208 5.0167 5.0167 6.6573 6.6573 7.2022 7.2022 7.3466 7.3466 8.2641 8.2641 8.4960 8.4960 8.9135 8.9135 9.8928 9.8928 10.3595 10.3595 10.6258 10.6258 10.8187 10.8187 k = 0.1218 0.2110-0.0000 ( 7439 PWs) bands (ev): -47.8462 -47.8462 -47.8304 -47.8304 -24.5528 -24.5528 -24.5350 -24.5350 -23.9607 -23.9607 -23.9403 -23.9403 -23.8390 -23.8390 -23.7026 -23.7026 -1.0219 -1.0219 0.8176 0.8176 4.9592 4.9592 6.6929 6.6929 7.2099 7.2099 7.4699 7.4699 8.3275 8.3275 8.5616 8.5616 8.9109 8.9109 9.8658 9.8658 10.3575 10.3575 10.6356 10.6356 10.8279 10.8279 k = 0.1154 0.1999-0.0000 ( 7439 PWs) bands (ev): -47.8462 -47.8462 -47.8304 -47.8304 -24.5526 -24.5526 -24.5347 -24.5347 -23.9602 -23.9602 -23.9399 -23.9399 -23.8390 -23.8390 -23.7026 -23.7026 -1.0671 -1.0671 0.8142 0.8142 4.9041 4.9041 6.7276 6.7276 7.2158 7.2158 7.5919 7.5919 8.3925 8.3925 8.6282 8.6282 8.9113 8.9113 9.8399 9.8399 10.3553 10.3553 10.6458 10.6458 10.8344 10.8344 k = 0.1090 0.1887-0.0000 ( 7443 PWs) bands (ev): -47.8463 -47.8463 -47.8304 -47.8304 -24.5525 -24.5525 -24.5344 -24.5344 -23.9598 -23.9598 -23.9396 -23.9396 -23.8391 -23.8391 -23.7026 -23.7026 -1.1102 -1.1102 0.8107 0.8107 4.8515 4.8515 6.7612 6.7612 7.2201 7.2201 7.7118 7.7118 8.4585 8.4585 8.6953 8.6953 8.9152 8.9152 9.8152 9.8152 10.3527 10.3527 10.6563 10.6563 10.8384 10.8384 k = 0.1026 0.1776-0.0000 ( 7439 PWs) bands (ev): -47.8463 -47.8463 -47.8305 -47.8305 -24.5523 -24.5523 -24.5340 -24.5340 -23.9594 -23.9594 -23.9393 -23.9393 -23.8391 -23.8391 -23.7026 -23.7026 -1.1512 -1.1512 0.8070 0.8070 4.8016 4.8016 6.7936 6.7936 7.2232 7.2232 7.8285 7.8285 8.5252 8.5252 8.7624 8.7624 8.9234 8.9234 9.7916 9.7916 10.3498 10.3498 10.6670 10.6670 10.8398 10.8398 k = 0.0962 0.1665-0.0000 ( 7447 PWs) bands (ev): -47.8463 -47.8463 -47.8305 -47.8305 -24.5521 -24.5521 -24.5338 -24.5338 -23.9590 -23.9590 -23.9390 -23.9390 -23.8392 -23.8392 -23.7026 -23.7026 -1.1900 -1.1900 0.8034 0.8034 4.7543 4.7543 6.8245 6.8245 7.2254 7.2254 7.9411 7.9411 8.5917 8.5917 8.8283 8.8283 8.9376 8.9376 9.7692 9.7692 10.3465 10.3465 10.6779 10.6779 10.8388 10.8388 k = 0.0897 0.1554-0.0000 ( 7453 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5520 -24.5520 -24.5335 -24.5335 -23.9586 -23.9586 -23.9387 -23.9387 -23.8392 -23.8392 -23.7026 -23.7026 -1.2266 -1.2266 0.7997 0.7997 4.7097 4.7097 6.8537 6.8537 7.2270 7.2270 8.0480 8.0480 8.6575 8.6575 8.8898 8.8898 8.9614 8.9614 9.7481 9.7481 10.3426 10.3426 10.6891 10.6891 10.8356 10.8356 k = 0.0833 0.1443-0.0000 ( 7445 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5518 -24.5518 -24.5332 -24.5332 -23.9582 -23.9582 -23.9385 -23.9385 -23.8393 -23.8393 -23.7026 -23.7026 -1.2608 -1.2608 0.7962 0.7962 4.6680 4.6680 6.8810 6.8810 7.2282 7.2282 8.1477 8.1477 8.7219 8.7219 8.9407 8.9407 9.0019 9.0019 9.7283 9.7283 10.3379 10.3379 10.7005 10.7005 10.8308 10.8308 k = 0.0769 0.1332-0.0000 ( 7435 PWs) bands (ev): -47.8464 -47.8464 -47.8306 -47.8306 -24.5517 -24.5517 -24.5330 -24.5330 -23.9579 -23.9579 -23.9382 -23.9382 -23.8393 -23.8393 -23.7026 -23.7026 -1.2927 -1.2927 0.7927 0.7927 4.6292 4.6292 6.9062 6.9062 7.2294 7.2294 8.2385 8.2385 8.7846 8.7846 8.9819 8.9819 9.0584 9.0584 9.7098 9.7098 10.3319 10.3319 10.7122 10.7122 10.8251 10.8251 k = 0.0705 0.1221-0.0000 ( 7435 PWs) bands (ev): -47.8465 -47.8465 -47.8306 -47.8306 -24.5516 -24.5516 -24.5327 -24.5327 -23.9576 -23.9576 -23.9380 -23.9380 -23.8394 -23.8394 -23.7026 -23.7026 -1.3222 -1.3222 0.7893 0.7893 4.5933 4.5933 6.9291 6.9291 7.2308 7.2308 8.3186 8.3186 8.8460 8.8460 9.0231 9.0231 9.1209 9.1209 9.6926 9.6926 10.3243 10.3243 10.7242 10.7242 10.8193 10.8193 k = 0.0641 0.1110-0.0000 ( 7439 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5514 -24.5514 -24.5325 -24.5325 -23.9573 -23.9573 -23.9377 -23.9377 -23.8394 -23.8394 -23.7026 -23.7026 -1.3493 -1.3493 0.7861 0.7861 4.5603 4.5603 6.9494 6.9494 7.2325 7.2325 8.3865 8.3865 8.9072 8.9072 9.0677 9.0677 9.1840 9.1840 9.6769 9.6769 10.3143 10.3143 10.7366 10.7366 10.8145 10.8145 k = 0.0577 0.0999-0.0000 ( 7431 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5513 -24.5513 -24.5323 -24.5323 -23.9570 -23.9570 -23.9375 -23.9375 -23.8395 -23.8395 -23.7026 -23.7026 -1.3739 -1.3739 0.7831 0.7831 4.5304 4.5304 6.9672 6.9672 7.2348 7.2348 8.4420 8.4420 8.9693 8.9693 9.1149 9.1149 9.2460 9.2460 9.6626 9.6626 10.3014 10.3014 10.7491 10.7491 10.8117 10.8117 k = 0.0513 0.0888-0.0000 ( 7435 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5512 -24.5512 -24.5321 -24.5321 -23.9567 -23.9567 -23.9374 -23.9374 -23.8395 -23.8395 -23.7026 -23.7026 -1.3959 -1.3959 0.7803 0.7803 4.5035 4.5035 6.9823 6.9823 7.2377 7.2377 8.4856 8.4856 9.0325 9.0325 9.1627 9.1627 9.3056 9.3056 9.6498 9.6498 10.2851 10.2851 10.7617 10.7617 10.8118 10.8118 k = 0.0449 0.0777-0.0000 ( 7437 PWs) bands (ev): -47.8465 -47.8465 -47.8307 -47.8307 -24.5511 -24.5511 -24.5320 -24.5320 -23.9565 -23.9565 -23.9372 -23.9372 -23.8395 -23.8395 -23.7026 -23.7026 -1.4155 -1.4155 0.7778 0.7778 4.4798 4.4798 6.9949 6.9949 7.2411 7.2411 8.5189 8.5189 9.0961 9.0961 9.2088 9.2088 9.3621 9.3621 9.6384 9.6384 10.2652 10.2652 10.7739 10.7739 10.8154 10.8154 k = 0.0385 0.0666-0.0000 ( 7437 PWs) bands (ev): -47.8466 -47.8466 -47.8307 -47.8307 -24.5511 -24.5511 -24.5318 -24.5318 -23.9563 -23.9563 -23.9370 -23.9370 -23.8396 -23.8396 -23.7026 -23.7026 -1.4325 -1.4325 0.7756 0.7756 4.4591 4.4591 7.0051 7.0051 7.2448 7.2448 8.5439 8.5439 9.1582 9.1582 9.2515 9.2515 9.4149 9.4149 9.6286 9.6286 10.2422 10.2422 10.7851 10.7851 10.8227 10.8227 k = 0.0321 0.0555-0.0000 ( 7445 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5510 -24.5510 -24.5317 -24.5317 -23.9561 -23.9561 -23.9369 -23.9369 -23.8396 -23.8396 -23.7026 -23.7026 -1.4469 -1.4469 0.7737 0.7737 4.4416 4.4416 7.0131 7.0131 7.2486 7.2486 8.5624 8.5624 9.2164 9.2164 9.2894 9.2894 9.4634 9.4634 9.6204 9.6204 10.2167 10.2167 10.7950 10.7950 10.8330 10.8330 k = 0.0256 0.0444-0.0000 ( 7449 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5316 -24.5316 -23.9560 -23.9560 -23.9368 -23.9368 -23.8396 -23.8396 -23.7026 -23.7026 -1.4587 -1.4587 0.7721 0.7721 4.4272 4.4272 7.0191 7.0191 7.2523 7.2523 8.5758 8.5758 9.2683 9.2683 9.3214 9.3214 9.5065 9.5065 9.6139 9.6139 10.1901 10.1901 10.8038 10.8038 10.8447 10.8447 k = 0.0192 0.0333-0.0000 ( 7451 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5315 -24.5315 -23.9559 -23.9559 -23.9367 -23.9367 -23.8396 -23.8396 -23.7026 -23.7026 -1.4679 -1.4679 0.7709 0.7709 4.4160 4.4160 7.0235 7.0235 7.2555 7.2555 8.5852 8.5852 9.3116 9.3116 9.3468 9.3468 9.5431 9.5431 9.6093 9.6093 10.1646 10.1646 10.8114 10.8114 10.8555 10.8555 k = 0.0128 0.0222-0.0000 ( 7453 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5509 -24.5509 -24.5315 -24.5315 -23.9558 -23.9558 -23.9367 -23.9367 -23.8396 -23.8396 -23.7026 -23.7026 -1.4745 -1.4745 0.7700 0.7700 4.4080 4.4080 7.0265 7.0265 7.2580 7.2580 8.5915 8.5915 9.3441 9.3441 9.3653 9.3653 9.5706 9.5706 9.6073 9.6073 10.1428 10.1428 10.8174 10.8174 10.8634 10.8635 k = 0.0064 0.0111-0.0000 ( 7453 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9558 -23.9558 -23.9366 -23.9366 -23.8396 -23.8396 -23.7026 -23.7026 -1.4784 -1.4784 0.7694 0.7694 4.4032 4.4032 7.0281 7.0281 7.2595 7.2595 8.5950 8.5950 9.3642 9.3642 9.3765 9.3765 9.5855 9.5855 9.6092 9.6092 10.1280 10.1280 10.8214 10.8214 10.8676 10.8677 k = 0.0000 0.0000 0.0000 ( 7473 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9558 -23.9558 -23.9366 -23.9366 -23.8396 -23.8396 -23.7026 -23.7026 -1.4797 -1.4797 0.7692 0.7692 4.4016 4.4016 7.0287 7.0287 7.2601 7.2601 8.5962 8.5962 9.3709 9.3709 9.3803 9.3803 9.5891 9.5891 9.6115 9.6115 10.1226 10.1226 10.8228 10.8228 10.8688 10.8688 k = 0.0000 0.0000 0.0000 ( 7473 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9558 -23.9558 -23.9366 -23.9366 -23.8396 -23.8396 -23.7026 -23.7026 -1.4797 -1.4797 0.7692 0.7692 4.4016 4.4016 7.0287 7.0287 7.2601 7.2601 8.5962 8.5962 9.3709 9.3709 9.3803 9.3803 9.5891 9.5891 9.6115 9.6115 10.1226 10.1226 10.8228 10.8228 10.8688 10.8689 k = 0.0000 0.0000 0.0131 ( 7473 PWs) bands (ev): -47.8466 -47.8466 -47.8308 -47.8308 -24.5508 -24.5508 -24.5314 -24.5314 -23.9557 -23.9557 -23.9366 -23.9366 -23.8395 -23.8395 -23.7027 -23.7027 -1.4783 -1.4783 0.7648 0.7648 4.4082 4.4082 7.0300 7.0300 7.2614 7.2614 8.5959 8.5959 9.3718 9.3718 9.3812 9.3812 9.5826 9.5826 9.5968 9.5968 10.1332 10.1332 10.7912 10.7912 10.8706 10.8706 k = 0.0000 0.0000 0.0261 ( 7461 PWs) bands (ev): -47.8465 -47.8465 -47.8309 -47.8309 -24.5507 -24.5507 -24.5315 -24.5315 -23.9557 -23.9557 -23.9367 -23.9367 -23.8391 -23.8391 -23.7032 -23.7032 -1.4741 -1.4741 0.7516 0.7516 4.4279 4.4279 7.0340 7.0340 7.2653 7.2653 8.5949 8.5949 9.3746 9.3746 9.3840 9.3840 9.5563 9.5563 9.5635 9.5635 10.1609 10.1609 10.7449 10.7449 10.8760 10.8760 k = 0.0000 0.0000 0.0392 ( 7443 PWs) bands (ev): -47.8465 -47.8465 -47.8309 -47.8309 -24.5506 -24.5506 -24.5315 -24.5315 -23.9556 -23.9556 -23.9368 -23.9368 -23.8385 -23.8385 -23.7039 -23.7039 -1.4671 -1.4671 0.7298 0.7298 4.4603 4.4603 7.0407 7.0407 7.2718 7.2718 8.5931 8.5931 9.3792 9.3792 9.3886 9.3886 9.4979 9.4979 9.5327 9.5327 10.1972 10.1972 10.7010 10.7010 10.8844 10.8844 k = 0.0000 0.0000 0.0522 ( 7443 PWs) bands (ev): -47.8464 -47.8464 -47.8310 -47.8310 -24.5504 -24.5504 -24.5316 -24.5316 -23.9555 -23.9555 -23.9369 -23.9369 -23.8376 -23.8376 -23.7049 -23.7049 -1.4573 -1.4573 0.7001 0.7001 4.5050 4.5050 7.0501 7.0501 7.2809 7.2809 8.5899 8.5899 9.3856 9.3856 9.3951 9.3951 9.4283 9.4283 9.4917 9.4917 10.2346 10.2346 10.6603 10.6603 10.8941 10.8941 k = 0.0000 0.0000 0.0653 ( 7408 PWs) bands (ev): -47.8462 -47.8462 -47.8312 -47.8312 -24.5502 -24.5502 -24.5317 -24.5317 -23.9553 -23.9553 -23.9371 -23.9371 -23.8365 -23.8365 -23.7062 -23.7062 -1.4447 -1.4447 0.6630 0.6630 4.5612 4.5612 7.0621 7.0621 7.2926 7.2926 8.5851 8.5851 9.3520 9.3520 9.3934 9.3934 9.4034 9.4034 9.4424 9.4424 10.2675 10.2675 10.6225 10.6225 10.9010 10.9010 k = 0.0000 0.0000 0.0784 ( 7408 PWs) bands (ev): -47.8460 -47.8460 -47.8314 -47.8314 -24.5499 -24.5499 -24.5319 -24.5319 -23.9551 -23.9551 -23.9373 -23.9373 -23.8352 -23.8352 -23.7077 -23.7077 -1.4294 -1.4294 0.6193 0.6193 4.6284 4.6284 7.0768 7.0768 7.3069 7.3069 8.5776 8.5776 9.2720 9.2720 9.3820 9.3820 9.4069 9.4069 9.4135 9.4135 10.2929 10.2929 10.5866 10.5866 10.8976 10.8976 k = 0.0000 0.0000 0.0914 ( 7408 PWs) bands (ev): -47.8459 -47.8459 -47.8315 -47.8315 -24.5496 -24.5496 -24.5320 -24.5320 -23.9548 -23.9548 -23.9375 -23.9375 -23.8336 -23.8336 -23.7095 -23.7095 -1.4112 -1.4112 0.5697 0.5697 4.7056 4.7056 7.0942 7.0942 7.3237 7.3237 8.5668 8.5668 9.1902 9.1902 9.3209 9.3209 9.4172 9.4172 9.4254 9.4254 10.3094 10.3094 10.5520 10.5521 10.8761 10.8761 k = 0.0000 0.0000 0.1045 ( 7396 PWs) bands (ev): -47.8456 -47.8456 -47.8318 -47.8318 -24.5492 -24.5492 -24.5322 -24.5322 -23.9546 -23.9546 -23.9378 -23.9378 -23.8317 -23.8317 -23.7116 -23.7116 -1.3904 -1.3904 0.5149 0.5149 4.7920 4.7920 7.1142 7.1142 7.3432 7.3432 8.5513 8.5513 9.1080 9.1080 9.2540 9.2540 9.4307 9.4307 9.4391 9.4391 10.3171 10.3171 10.5181 10.5181 10.8346 10.8346 k = 0.0000 0.0000 0.1175 ( 7408 PWs) bands (ev): -47.8454 -47.8454 -47.8320 -47.8320 -24.5488 -24.5488 -24.5324 -24.5324 -23.9543 -23.9543 -23.9381 -23.9381 -23.8297 -23.8297 -23.7139 -23.7139 -1.3667 -1.3667 0.4558 0.4558 4.8868 4.8868 7.1369 7.1369 7.3652 7.3652 8.5298 8.5298 9.0265 9.0265 9.1837 9.1837 9.4462 9.4462 9.4545 9.4545 10.3169 10.3169 10.4844 10.4844 10.7782 10.7782 k = 0.0000 0.0000 0.1306 ( 7420 PWs) bands (ev): -47.8451 -47.8451 -47.8323 -47.8323 -24.5483 -24.5483 -24.5327 -24.5327 -23.9539 -23.9539 -23.9385 -23.9385 -23.8274 -23.8274 -23.7165 -23.7165 -1.3404 -1.3404 0.3931 0.3931 4.9893 4.9893 7.1622 7.1622 7.3897 7.3897 8.5008 8.5008 8.9465 8.9465 9.1111 9.1111 9.4634 9.4634 9.4716 9.4716 10.3098 10.3098 10.4504 10.4504 10.7141 10.7141 k = 0.0000 0.0000 0.1437 ( 7432 PWs) bands (ev): -47.8448 -47.8448 -47.8326 -47.8326 -24.5478 -24.5478 -24.5330 -24.5330 -23.9536 -23.9536 -23.9388 -23.9388 -23.8249 -23.8249 -23.7192 -23.7192 -1.3114 -1.3114 0.3274 0.3274 5.0986 5.0986 7.1901 7.1901 7.4167 7.4167 8.4626 8.4626 8.8687 8.8687 9.0368 9.0368 9.4823 9.4823 9.4903 9.4903 10.2972 10.2972 10.4161 10.4161 10.6481 10.6481 k = 0.0000 0.0000 0.1567 ( 7420 PWs) bands (ev): -47.8445 -47.8445 -47.8329 -47.8329 -24.5473 -24.5473 -24.5333 -24.5333 -23.9532 -23.9532 -23.9392 -23.9392 -23.8222 -23.8222 -23.7222 -23.7222 -1.2798 -1.2798 0.2595 0.2595 5.2140 5.2140 7.2207 7.2207 7.4463 7.4463 8.4142 8.4142 8.7933 8.7933 8.9616 8.9616 9.5029 9.5029 9.5107 9.5107 10.2803 10.2803 10.3812 10.3812 10.5844 10.5844 k = 0.0000 0.0000 0.1698 ( 7432 PWs) bands (ev): -47.8441 -47.8441 -47.8333 -47.8333 -24.5468 -24.5468 -24.5336 -24.5336 -23.9527 -23.9527 -23.9397 -23.9397 -23.8193 -23.8193 -23.7254 -23.7254 -1.2455 -1.2455 0.1897 0.1897 5.3350 5.3350 7.2538 7.2538 7.4783 7.4783 8.3548 8.3548 8.7199 8.7199 8.8860 8.8860 9.5251 9.5251 9.5327 9.5327 10.2604 10.2604 10.3457 10.3457 10.5261 10.5261 k = 0.0000 0.0000 0.1828 ( 7444 PWs) bands (ev): -47.8437 -47.8437 -47.8337 -47.8337 -24.5462 -24.5462 -24.5339 -24.5339 -23.9523 -23.9523 -23.9401 -23.9401 -23.8163 -23.8163 -23.7288 -23.7288 -1.2086 -1.2086 0.1188 0.1188 5.4607 5.4607 7.2896 7.2896 7.5129 7.5129 8.2847 8.2847 8.6478 8.6478 8.8104 8.8104 9.5489 9.5489 9.5561 9.5561 10.2383 10.2383 10.3096 10.3096 10.4753 10.4753 k = 0.0000 0.0000 0.1959 ( 7432 PWs) bands (ev): -47.8434 -47.8434 -47.8341 -47.8341 -24.5456 -24.5456 -24.5343 -24.5343 -23.9518 -23.9518 -23.9406 -23.9406 -23.8130 -23.8130 -23.7324 -23.7324 -1.1691 -1.1691 0.0470 0.0470 5.5908 5.5908 7.3280 7.3280 7.5498 7.5498 8.2044 8.2044 8.5758 8.5758 8.7351 8.7351 9.5741 9.5741 9.5811 9.5811 10.2148 10.2148 10.2729 10.2729 10.4337 10.4337 k = 0.0000 0.0000 0.2090 ( 7438 PWs) bands (ev): -47.8429 -47.8429 -47.8345 -47.8345 -24.5450 -24.5450 -24.5347 -24.5347 -23.9513 -23.9513 -23.9411 -23.9411 -23.8096 -23.8096 -23.7361 -23.7361 -1.1272 -1.1272 -0.0251 -0.0251 5.7246 5.7246 7.3690 7.3690 7.5892 7.5892 8.1149 8.1149 8.5030 8.5030 8.6604 8.6604 9.6008 9.6008 9.6074 9.6074 10.1899 10.1899 10.2357 10.2357 10.4028 10.4028 k = 0.0000 0.0000 0.2220 ( 7438 PWs) bands (ev): -47.8425 -47.8425 -47.8349 -47.8349 -24.5444 -24.5444 -24.5351 -24.5351 -23.9508 -23.9508 -23.9416 -23.9416 -23.8060 -23.8060 -23.7399 -23.7399 -1.0827 -1.0827 -0.0973 -0.0973 5.8615 5.8615 7.4126 7.4126 7.6310 7.6310 8.0170 8.0170 8.4292 8.4292 8.5866 8.5866 9.6289 9.6289 9.6351 9.6351 10.1631 10.1631 10.1980 10.1980 10.3837 10.3837 k = 0.0000 0.0000 0.2351 ( 7450 PWs) bands (ev): -47.8421 -47.8421 -47.8353 -47.8353 -24.5438 -24.5438 -24.5356 -24.5356 -23.9503 -23.9503 -23.9421 -23.9421 -23.8023 -23.8023 -23.7438 -23.7438 -1.0359 -1.0359 -0.1693 -0.1693 6.0012 6.0012 7.4587 7.4587 7.6751 7.6751 7.9114 7.9114 8.3544 8.3544 8.5138 8.5138 9.6584 9.6584 9.6641 9.6641 10.1341 10.1341 10.1600 10.1600 10.3769 10.3769 k = 0.0000 0.0000 0.2481 ( 7444 PWs) bands (ev): -47.8416 -47.8416 -47.8358 -47.8358 -24.5431 -24.5431 -24.5360 -24.5360 -23.9497 -23.9497 -23.9427 -23.9427 -23.7984 -23.7984 -23.7479 -23.7479 -0.9866 -0.9866 -0.2406 -0.2406 6.1430 6.1430 7.5074 7.5074 7.7215 7.7215 7.7986 7.7986 8.2793 8.2793 8.4423 8.4423 9.6890 9.6890 9.6942 9.6942 10.1029 10.1029 10.1218 10.1218 10.3821 10.3821 k = 0.0000 0.0000 0.2612 ( 7444 PWs) bands (ev): -47.8411 -47.8411 -47.8363 -47.8363 -24.5425 -24.5425 -24.5365 -24.5365 -23.9492 -23.9492 -23.9432 -23.9432 -23.7945 -23.7945 -23.7521 -23.7521 -0.9351 -0.9351 -0.3112 -0.3112 6.2864 6.2864 7.5587 7.5587 7.6792 7.6792 7.7703 7.7703 8.2044 8.2044 8.3722 8.3722 9.7209 9.7209 9.7254 9.7254 10.0699 10.0699 10.0835 10.0835 10.3985 10.3985 k = 0.0000 0.0000 0.2743 ( 7450 PWs) bands (ev): -47.8407 -47.8407 -47.8367 -47.8367 -24.5418 -24.5418 -24.5371 -24.5371 -23.9486 -23.9486 -23.9438 -23.9438 -23.7904 -23.7904 -23.7563 -23.7563 -0.8813 -0.8813 -0.3808 -0.3808 6.4310 6.4310 7.5539 7.5539 7.6125 7.6125 7.8212 7.8212 8.1305 8.1305 8.3037 8.3037 9.7538 9.7538 9.7576 9.7576 10.0356 10.0356 10.0452 10.0452 10.4248 10.4248 k = 0.0000 0.0000 0.2873 ( 7438 PWs) bands (ev): -47.8402 -47.8402 -47.8372 -47.8372 -24.5412 -24.5412 -24.5376 -24.5376 -23.9480 -23.9480 -23.9444 -23.9444 -23.7863 -23.7863 -23.7606 -23.7606 -0.8253 -0.8253 -0.4491 -0.4491 6.5761 6.5761 7.4234 7.4234 7.6688 7.6688 7.8744 7.8744 8.0581 8.0581 8.2367 8.2367 9.7878 9.7878 9.7907 9.7907 10.0006 10.0006 10.0071 10.0071 10.4598 10.4598 k = 0.0000 0.0000 0.3004 ( 7438 PWs) bands (ev): -47.8397 -47.8397 -47.8377 -47.8377 -24.5406 -24.5406 -24.5382 -24.5382 -23.9474 -23.9474 -23.9450 -23.9450 -23.7821 -23.7821 -23.7649 -23.7649 -0.7673 -0.7673 -0.5161 -0.5161 6.7212 6.7212 7.2886 7.2886 7.7277 7.7277 7.9298 7.9298 7.9875 7.9875 8.1715 8.1715 9.8226 9.8226 9.8246 9.8246 9.9651 9.9651 9.9692 9.9692 10.5025 10.5025 k = 0.0000 0.0000 0.3134 ( 7444 PWs) bands (ev): -47.8392 -47.8392 -47.8382 -47.8382 -24.5400 -24.5400 -24.5387 -24.5387 -23.9468 -23.9468 -23.9456 -23.9456 -23.7778 -23.7778 -23.7692 -23.7692 -0.7072 -0.7072 -0.5815 -0.5815 6.8657 6.8657 7.1501 7.1501 7.7890 7.7890 7.9190 7.9190 7.9872 7.9872 8.1081 8.1081 9.8583 9.8583 9.8592 9.8592 9.9296 9.9296 9.9317 9.9317 10.5518 10.5518 k = 0.0000 0.0000 0.3265 ( 7462 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5393 -24.5393 -24.5393 -24.5393 -23.9462 -23.9462 -23.9462 -23.9462 -23.7735 -23.7735 -23.7735 -23.7735 -0.6453 -0.6453 -0.6453 -0.6453 7.0089 7.0089 7.0089 7.0089 7.8528 7.8528 7.8528 7.8528 8.0467 8.0467 8.0467 8.0467 9.8942 9.8942 9.8942 9.8942 9.8947 9.8947 9.8947 9.8947 10.6071 10.6071 k = 0.0000 0.0000 0.3265 ( 7462 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5393 -24.5393 -24.5393 -24.5393 -23.9462 -23.9462 -23.9462 -23.9462 -23.7735 -23.7735 -23.7735 -23.7735 -0.6453 -0.6453 -0.6453 -0.6453 7.0089 7.0089 7.0089 7.0089 7.8528 7.8528 7.8528 7.8528 8.0467 8.0467 8.0467 8.0467 9.8942 9.8942 9.8942 9.8942 9.8947 9.8947 9.8947 9.8947 10.6071 10.6071 k = 0.0111 0.0064 0.3265 ( 7452 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9462 -23.9462 -23.9462 -23.9462 -23.7735 -23.7735 -23.7735 -23.7735 -0.6442 -0.6442 -0.6442 -0.6442 7.0067 7.0067 7.0067 7.0067 7.8523 7.8523 7.8523 7.8523 8.0462 8.0462 8.0462 8.0462 9.8933 9.8933 9.8933 9.8933 9.8947 9.8947 9.8947 9.8947 10.6097 10.6097 k = 0.0222 0.0128 0.3265 ( 7448 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9463 -23.9463 -23.9463 -23.9463 -23.7735 -23.7735 -23.7735 -23.7735 -0.6410 -0.6410 -0.6410 -0.6410 7.0001 7.0001 7.0001 7.0001 7.8506 7.8506 7.8506 7.8506 8.0447 8.0447 8.0447 8.0447 9.8904 9.8904 9.8904 9.8904 9.8949 9.8949 9.8949 9.8949 10.6175 10.6175 k = 0.0333 0.0192 0.3265 ( 7448 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9463 -23.9463 -23.9463 -23.9463 -23.7735 -23.7735 -23.7735 -23.7735 -0.6357 -0.6357 -0.6357 -0.6357 6.9889 6.9889 6.9889 6.9889 7.8479 7.8479 7.8479 7.8479 8.0424 8.0424 8.0424 8.0424 9.8856 9.8856 9.8856 9.8856 9.8951 9.8951 9.8951 9.8951 10.6304 10.6304 k = 0.0444 0.0257 0.3265 ( 7442 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5395 -24.5395 -24.5395 -24.5395 -23.9464 -23.9464 -23.9464 -23.9464 -23.7735 -23.7735 -23.7735 -23.7735 -0.6283 -0.6283 -0.6283 -0.6283 6.9733 6.9733 6.9733 6.9733 7.8443 7.8443 7.8443 7.8443 8.0393 8.0393 8.0393 8.0393 9.8789 9.8789 9.8789 9.8789 9.8954 9.8954 9.8954 9.8954 10.6482 10.6482 k = 0.0556 0.0321 0.3265 ( 7434 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5396 -24.5396 -24.5396 -24.5396 -23.9465 -23.9465 -23.9465 -23.9465 -23.7735 -23.7735 -23.7735 -23.7735 -0.6189 -0.6189 -0.6189 -0.6189 6.9531 6.9531 6.9531 6.9531 7.8398 7.8398 7.8398 7.8398 8.0357 8.0357 8.0357 8.0357 9.8703 9.8703 9.8703 9.8703 9.8959 9.8959 9.8959 9.8959 10.6706 10.6706 k = 0.0667 0.0385 0.3265 ( 7438 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5397 -24.5397 -24.5397 -24.5397 -23.9467 -23.9467 -23.9467 -23.9467 -23.7735 -23.7735 -23.7735 -23.7735 -0.6073 -0.6073 -0.6073 -0.6073 6.9282 6.9282 6.9282 6.9282 7.8346 7.8346 7.8346 7.8346 8.0317 8.0317 8.0317 8.0317 9.8598 9.8598 9.8598 9.8598 9.8967 9.8967 9.8967 9.8967 10.6973 10.6973 k = 0.0778 0.0449 0.3265 ( 7436 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5398 -24.5398 -24.5398 -24.5398 -23.9469 -23.9469 -23.9469 -23.9469 -23.7734 -23.7734 -23.7734 -23.7734 -0.5937 -0.5937 -0.5937 -0.5937 6.8987 6.8987 6.8987 6.8987 7.8290 7.8290 7.8290 7.8290 8.0274 8.0274 8.0274 8.0274 9.8474 9.8474 9.8474 9.8474 9.8977 9.8977 9.8977 9.8977 10.7280 10.7280 k = 0.0889 0.0513 0.3265 ( 7438 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5399 -24.5399 -24.5399 -24.5399 -23.9471 -23.9471 -23.9471 -23.9471 -23.7734 -23.7734 -23.7734 -23.7734 -0.5781 -0.5781 -0.5781 -0.5781 6.8645 6.8645 6.8645 6.8645 7.8230 7.8230 7.8230 7.8230 8.0231 8.0231 8.0231 8.0231 9.8333 9.8333 9.8333 9.8333 9.8992 9.8992 9.8992 9.8992 10.7621 10.7621 k = 0.1000 0.0577 0.3265 ( 7448 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5400 -24.5400 -24.5400 -24.5400 -23.9473 -23.9473 -23.9473 -23.9473 -23.7734 -23.7734 -23.7734 -23.7734 -0.5605 -0.5605 -0.5605 -0.5605 6.8258 6.8258 6.8258 6.8258 7.8168 7.8168 7.8168 7.8168 8.0187 8.0187 8.0187 8.0187 9.8175 9.8175 9.8175 9.8175 9.9011 9.9011 9.9011 9.9011 10.7992 10.7992 k = 0.1111 0.0642 0.3265 ( 7452 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5402 -24.5402 -24.5402 -24.5402 -23.9475 -23.9475 -23.9475 -23.9475 -23.7734 -23.7734 -23.7734 -23.7734 -0.5410 -0.5410 -0.5410 -0.5410 6.7826 6.7826 6.7826 6.7826 7.8105 7.8105 7.8105 7.8105 8.0145 8.0145 8.0145 8.0145 9.8001 9.8001 9.8001 9.8001 9.9035 9.9035 9.9035 9.9035 10.8388 10.8388 k = 0.1222 0.0706 0.3265 ( 7444 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5404 -24.5404 -24.5404 -24.5404 -23.9478 -23.9478 -23.9478 -23.9478 -23.7734 -23.7734 -23.7734 -23.7734 -0.5196 -0.5196 -0.5196 -0.5196 6.7352 6.7352 6.7352 6.7352 7.8043 7.8043 7.8043 7.8043 8.0104 8.0104 8.0104 8.0104 9.7812 9.7812 9.7812 9.7812 9.9066 9.9066 9.9066 9.9066 10.8802 10.8802 k = 0.1333 0.0770 0.3265 ( 7452 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5406 -24.5406 -24.5406 -24.5406 -23.9481 -23.9481 -23.9481 -23.9481 -23.7733 -23.7733 -23.7733 -23.7733 -0.4964 -0.4964 -0.4964 -0.4964 6.6838 6.6838 6.6838 6.6838 7.7982 7.7982 7.7982 7.7982 8.0064 8.0064 8.0064 8.0064 9.7611 9.7611 9.7611 9.7611 9.9104 9.9104 9.9104 9.9104 10.9228 10.9228 k = 0.1444 0.0834 0.3265 ( 7448 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5408 -24.5408 -24.5408 -24.5408 -23.9484 -23.9484 -23.9484 -23.9484 -23.7733 -23.7733 -23.7733 -23.7733 -0.4713 -0.4713 -0.4713 -0.4713 6.6285 6.6285 6.6285 6.6285 7.7922 7.7922 7.7922 7.7922 8.0026 8.0026 8.0026 8.0026 9.7399 9.7399 9.7399 9.7399 9.9150 9.9150 9.9150 9.9150 10.9658 10.9658 k = 0.1556 0.0898 0.3265 ( 7452 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5410 -24.5410 -24.5410 -24.5410 -23.9487 -23.9487 -23.9487 -23.9487 -23.7733 -23.7733 -23.7733 -23.7733 -0.4445 -0.4445 -0.4445 -0.4445 6.5698 6.5698 6.5698 6.5698 7.7862 7.7862 7.7862 7.7862 7.9989 7.9989 7.9989 7.9989 9.7178 9.7178 9.7178 9.7178 9.9205 9.9205 9.9205 9.9205 11.0084 11.0084 k = 0.1667 0.0962 0.3265 ( 7456 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5412 -24.5412 -24.5412 -24.5412 -23.9490 -23.9490 -23.9490 -23.9490 -23.7733 -23.7733 -23.7733 -23.7733 -0.4161 -0.4161 -0.4161 -0.4161 6.5080 6.5080 6.5080 6.5080 7.7802 7.7802 7.7802 7.7802 7.9954 7.9954 7.9954 7.9954 9.6951 9.6951 9.6951 9.6951 9.9270 9.9270 9.9270 9.9270 11.0493 11.0493 k = 0.1778 0.1026 0.3265 ( 7462 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5414 -24.5414 -24.5414 -24.5414 -23.9494 -23.9494 -23.9494 -23.9494 -23.7732 -23.7732 -23.7732 -23.7732 -0.3861 -0.3861 -0.3861 -0.3861 6.4433 6.4433 6.4433 6.4433 7.7741 7.7741 7.7741 7.7741 7.9920 7.9920 7.9920 7.9920 9.6720 9.6720 9.6720 9.6720 9.9345 9.9345 9.9345 9.9345 11.0875 11.0875 k = 0.1889 0.1091 0.3265 ( 7464 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5416 -24.5416 -24.5416 -24.5416 -23.9497 -23.9497 -23.9497 -23.9497 -23.7732 -23.7732 -23.7732 -23.7732 -0.3546 -0.3546 -0.3546 -0.3546 6.3762 6.3762 6.3762 6.3762 7.7679 7.7679 7.7679 7.7679 7.9887 7.9887 7.9887 7.9887 9.6488 9.6488 9.6488 9.6488 9.9431 9.9431 9.9431 9.9431 11.1213 11.1213 k = 0.2000 0.1155 0.3265 ( 7468 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5419 -24.5419 -24.5419 -24.5419 -23.9501 -23.9501 -23.9501 -23.9501 -23.7732 -23.7732 -23.7732 -23.7732 -0.3216 -0.3216 -0.3216 -0.3216 6.3069 6.3069 6.3069 6.3069 7.7614 7.7614 7.7614 7.7614 7.9854 7.9854 7.9854 7.9854 9.6257 9.6257 9.6257 9.6257 9.9528 9.9528 9.9528 9.9528 11.1491 11.1491 k = 0.2111 0.1219 0.3265 ( 7480 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5421 -24.5421 -24.5421 -24.5421 -23.9505 -23.9505 -23.9505 -23.9505 -23.7731 -23.7731 -23.7731 -23.7731 -0.2874 -0.2874 -0.2874 -0.2874 6.2359 6.2359 6.2359 6.2359 7.7545 7.7545 7.7545 7.7545 7.9820 7.9820 7.9820 7.9820 9.6032 9.6032 9.6032 9.6032 9.9636 9.9636 9.9636 9.9636 11.1691 11.1691 k = 0.2222 0.1283 0.3265 ( 7478 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5424 -24.5424 -24.5424 -24.5424 -23.9509 -23.9509 -23.9509 -23.9509 -23.7731 -23.7731 -23.7731 -23.7731 -0.2519 -0.2519 -0.2519 -0.2519 6.1634 6.1634 6.1634 6.1634 7.7473 7.7473 7.7473 7.7473 7.9785 7.9785 7.9785 7.9785 9.5814 9.5814 9.5814 9.5814 9.9757 9.9757 9.9757 9.9757 11.1799 11.1799 k = 0.2333 0.1347 0.3265 ( 7482 PWs) bands (ev): -47.8382 -47.8382 -47.8382 -47.8382 -24.5426 -24.5426 -24.5426 -24.5426 -23.9512 -23.9512 -23.9512 -23.9512 -23.7731 -23.7731 -23.7731 -23.7731 -0.2154 -0.2154 -0.2154 -0.2154 6.0898 6.0898 6.0898 6.0898 7.7396 7.7396 7.7396 7.7396 7.9747 7.9747 7.9747 7.9747 9.5607 9.5607 9.5607 9.5607 9.9890 9.9890 9.9890 9.9890 11.1807 11.1807 k = 0.2444 0.1411 0.3265 ( 7474 PWs) bands (ev): -47.8382 -47.8382 -47.8382 -47.8382 -24.5429 -24.5429 -24.5429 -24.5429 -23.9516 -23.9516 -23.9516 -23.9516 -23.7730 -23.7730 -23.7730 -23.7730 -0.1779 -0.1779 -0.1779 -0.1779 6.0154 6.0154 6.0154 6.0154 7.7315 7.7315 7.7315 7.7315 7.9706 7.9706 7.9706 7.9706 9.5413 9.5413 9.5413 9.5413 10.0034 10.0034 10.0034 10.0034 11.1718 11.1718 k = 0.2556 0.1475 0.3265 ( 7480 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5432 -24.5432 -24.5432 -24.5432 -23.9520 -23.9520 -23.9520 -23.9520 -23.7730 -23.7730 -23.7730 -23.7730 -0.1396 -0.1396 -0.1396 -0.1396 5.9405 5.9405 5.9405 5.9405 7.7230 7.7230 7.7230 7.7230 7.9661 7.9661 7.9661 7.9661 9.5237 9.5237 9.5237 9.5237 10.0190 10.0190 10.0190 10.0190 11.1544 11.1544 k = 0.2667 0.1540 0.3265 ( 7474 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5434 -24.5434 -24.5434 -24.5434 -23.9524 -23.9524 -23.9524 -23.9524 -23.7729 -23.7729 -23.7729 -23.7729 -0.1006 -0.1006 -0.1006 -0.1006 5.8655 5.8655 5.8655 5.8655 7.7141 7.7141 7.7141 7.7141 7.9612 7.9612 7.9612 7.9612 9.5079 9.5079 9.5079 9.5079 10.0356 10.0356 10.0356 10.0356 11.1303 11.1303 k = 0.2778 0.1604 0.3265 ( 7474 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5437 -24.5437 -24.5437 -24.5437 -23.9528 -23.9528 -23.9528 -23.9528 -23.7729 -23.7729 -23.7729 -23.7729 -0.0611 -0.0611 -0.0611 -0.0611 5.7907 5.7907 5.7907 5.7907 7.7048 7.7048 7.7048 7.7048 7.9556 7.9556 7.9556 7.9556 9.4941 9.4941 9.4941 9.4941 10.0534 10.0534 10.0534 10.0534 11.1011 11.1011 k = 0.2889 0.1668 0.3265 ( 7466 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5439 -24.5439 -24.5439 -24.5439 -23.9532 -23.9532 -23.9532 -23.9532 -23.7729 -23.7729 -23.7729 -23.7729 -0.0212 -0.0212 -0.0212 -0.0212 5.7164 5.7164 5.7164 5.7164 7.6952 7.6952 7.6952 7.6952 7.9495 7.9495 7.9495 7.9495 9.4827 9.4827 9.4827 9.4827 10.0721 10.0721 10.0721 10.0721 11.0686 11.0686 k = 0.3000 0.1732 0.3265 ( 7458 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5442 -24.5442 -24.5442 -24.5442 -23.9536 -23.9536 -23.9536 -23.9536 -23.7728 -23.7728 -23.7728 -23.7728 0.0188 0.0188 0.0188 0.0188 5.6428 5.6428 5.6428 5.6428 7.6853 7.6853 7.6853 7.6853 7.9428 7.9428 7.9428 7.9428 9.4736 9.4736 9.4736 9.4736 10.0917 10.0917 10.0917 10.0917 11.0339 11.0339 k = 0.3111 0.1796 0.3265 ( 7470 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5444 -24.5444 -24.5444 -24.5444 -23.9539 -23.9539 -23.9539 -23.9539 -23.7728 -23.7728 -23.7728 -23.7728 0.0588 0.0588 0.0588 0.0588 5.5705 5.5705 5.5705 5.5705 7.6753 7.6753 7.6753 7.6753 7.9355 7.9355 7.9355 7.9355 9.4669 9.4669 9.4669 9.4669 10.1121 10.1121 10.1121 10.1121 10.9982 10.9982 k = 0.3222 0.1860 0.3265 ( 7474 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5447 -24.5447 -24.5447 -24.5447 -23.9543 -23.9543 -23.9543 -23.9543 -23.7728 -23.7728 -23.7728 -23.7728 0.0985 0.0985 0.0985 0.0985 5.4996 5.4996 5.4996 5.4996 7.6651 7.6651 7.6651 7.6651 7.9277 7.9277 7.9277 7.9277 9.4626 9.4626 9.4626 9.4626 10.1331 10.1331 10.1331 10.1331 10.9620 10.9620 k = 0.3333 0.1925 0.3265 ( 7486 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5449 -24.5449 -24.5449 -24.5449 -23.9546 -23.9546 -23.9546 -23.9546 -23.7727 -23.7727 -23.7727 -23.7727 0.1378 0.1378 0.1378 0.1378 5.4305 5.4305 5.4305 5.4305 7.6550 7.6550 7.6550 7.6550 7.9194 7.9194 7.9194 7.9194 9.4607 9.4607 9.4607 9.4607 10.1546 10.1546 10.1546 10.1546 10.9260 10.9260 k = 0.3444 0.1989 0.3265 ( 7486 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5451 -24.5451 -24.5451 -24.5451 -23.9550 -23.9550 -23.9550 -23.9550 -23.7727 -23.7727 -23.7727 -23.7727 0.1763 0.1763 0.1763 0.1763 5.3636 5.3636 5.3636 5.3636 7.6449 7.6449 7.6449 7.6449 7.9107 7.9107 7.9107 7.9107 9.4610 9.4610 9.4610 9.4610 10.1764 10.1764 10.1764 10.1764 10.8906 10.8906 k = 0.3556 0.2053 0.3265 ( 7484 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5453 -24.5453 -24.5453 -24.5453 -23.9553 -23.9553 -23.9553 -23.9553 -23.7727 -23.7727 -23.7727 -23.7727 0.2139 0.2139 0.2139 0.2139 5.2991 5.2991 5.2991 5.2991 7.6350 7.6350 7.6350 7.6350 7.9019 7.9019 7.9019 7.9019 9.4634 9.4634 9.4634 9.4634 10.1985 10.1985 10.1985 10.1985 10.8561 10.8561 k = 0.3667 0.2117 0.3265 ( 7488 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5455 -24.5455 -24.5455 -24.5455 -23.9556 -23.9556 -23.9556 -23.9556 -23.7726 -23.7726 -23.7726 -23.7726 0.2502 0.2502 0.2502 0.2502 5.2376 5.2376 5.2376 5.2376 7.6253 7.6253 7.6253 7.6253 7.8929 7.8929 7.8929 7.8929 9.4676 9.4676 9.4676 9.4676 10.2204 10.2204 10.2204 10.2204 10.8228 10.8228 k = 0.3778 0.2181 0.3265 ( 7492 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5457 -24.5457 -24.5457 -24.5457 -23.9559 -23.9559 -23.9559 -23.9559 -23.7726 -23.7726 -23.7726 -23.7726 0.2851 0.2851 0.2851 0.2851 5.1792 5.1792 5.1792 5.1792 7.6160 7.6160 7.6160 7.6160 7.8840 7.8840 7.8840 7.8840 9.4734 9.4734 9.4734 9.4734 10.2421 10.2421 10.2421 10.2421 10.7908 10.7908 k = 0.3889 0.2245 0.3265 ( 7492 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5459 -24.5459 -24.5459 -24.5459 -23.9561 -23.9561 -23.9561 -23.9561 -23.7726 -23.7726 -23.7726 -23.7726 0.3182 0.3182 0.3182 0.3182 5.1244 5.1244 5.1244 5.1244 7.6071 7.6071 7.6071 7.6071 7.8753 7.8753 7.8753 7.8753 9.4805 9.4805 9.4805 9.4805 10.2633 10.2633 10.2633 10.2633 10.7606 10.7606 k = 0.4000 0.2309 0.3265 ( 7476 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5460 -24.5460 -24.5460 -24.5460 -23.9564 -23.9564 -23.9564 -23.9564 -23.7726 -23.7726 -23.7726 -23.7726 0.3492 0.3492 0.3492 0.3492 5.0735 5.0735 5.0735 5.0735 7.5988 7.5988 7.5988 7.5988 7.8670 7.8670 7.8670 7.8670 9.4886 9.4886 9.4886 9.4886 10.2837 10.2837 10.2837 10.2837 10.7321 10.7321 k = 0.4111 0.2374 0.3265 ( 7496 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5462 -24.5462 -24.5462 -24.5462 -23.9566 -23.9566 -23.9566 -23.9566 -23.7725 -23.7725 -23.7725 -23.7725 0.3779 0.3779 0.3779 0.3779 5.0268 5.0268 5.0268 5.0268 7.5911 7.5911 7.5911 7.5911 7.8591 7.8591 7.8591 7.8591 9.4972 9.4972 9.4972 9.4972 10.3030 10.3030 10.3030 10.3030 10.7058 10.7058 k = 0.4222 0.2438 0.3265 ( 7496 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5463 -24.5463 -24.5463 -24.5463 -23.9568 -23.9568 -23.9568 -23.9568 -23.7725 -23.7725 -23.7725 -23.7725 0.4040 0.4040 0.4040 0.4040 4.9848 4.9848 4.9848 4.9848 7.5840 7.5840 7.5840 7.5840 7.8518 7.8518 7.8518 7.8518 9.5060 9.5060 9.5060 9.5060 10.3210 10.3210 10.3210 10.3210 10.6817 10.6817 k = 0.4333 0.2502 0.3265 ( 7490 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5464 -24.5464 -24.5464 -24.5464 -23.9570 -23.9570 -23.9570 -23.9570 -23.7725 -23.7725 -23.7725 -23.7725 0.4273 0.4273 0.4273 0.4273 4.9476 4.9476 4.9476 4.9476 7.5778 7.5778 7.5778 7.5778 7.8453 7.8453 7.8453 7.8453 9.5147 9.5147 9.5147 9.5147 10.3374 10.3374 10.3374 10.3374 10.6602 10.6602 k = 0.4444 0.2566 0.3265 ( 7480 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5465 -24.5465 -24.5465 -24.5465 -23.9571 -23.9571 -23.9571 -23.9571 -23.7725 -23.7725 -23.7725 -23.7725 0.4474 0.4474 0.4474 0.4474 4.9156 4.9156 4.9156 4.9156 7.5724 7.5724 7.5724 7.5724 7.8396 7.8396 7.8396 7.8396 9.5229 9.5229 9.5229 9.5229 10.3518 10.3518 10.3518 10.3518 10.6415 10.6415 k = 0.4556 0.2630 0.3265 ( 7480 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5466 -24.5466 -24.5466 -24.5466 -23.9572 -23.9572 -23.9572 -23.9572 -23.7725 -23.7725 -23.7725 -23.7725 0.4642 0.4642 0.4642 0.4642 4.8890 4.8890 4.8890 4.8890 7.5678 7.5678 7.5678 7.5678 7.8348 7.8348 7.8348 7.8348 9.5301 9.5301 9.5301 9.5301 10.3641 10.3641 10.3641 10.3641 10.6257 10.6257 k = 0.4667 0.2694 0.3265 ( 7484 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5467 -24.5467 -24.5467 -24.5467 -23.9573 -23.9573 -23.9573 -23.9573 -23.7725 -23.7725 -23.7725 -23.7725 0.4775 0.4775 0.4775 0.4775 4.8681 4.8681 4.8681 4.8681 7.5642 7.5642 7.5642 7.5642 7.8311 7.8311 7.8311 7.8311 9.5361 9.5361 9.5361 9.5361 10.3739 10.3739 10.3739 10.3739 10.6133 10.6133 k = 0.4778 0.2758 0.3265 ( 7492 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5467 -24.5467 -24.5467 -24.5467 -23.9574 -23.9574 -23.9574 -23.9574 -23.7725 -23.7725 -23.7725 -23.7725 0.4871 0.4871 0.4871 0.4871 4.8530 4.8530 4.8530 4.8530 7.5617 7.5617 7.5617 7.5617 7.8283 7.8283 7.8283 7.8283 9.5406 9.5406 9.5406 9.5406 10.3811 10.3811 10.3811 10.3811 10.6042 10.6042 k = 0.4889 0.2823 0.3265 ( 7482 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9574 -23.9574 -23.9574 -23.9574 -23.7725 -23.7725 -23.7725 -23.7725 0.4929 0.4929 0.4929 0.4929 4.8439 4.8439 4.8439 4.8439 7.5601 7.5601 7.5601 7.5601 7.8267 7.8267 7.8267 7.8267 9.5434 9.5434 9.5434 9.5434 10.3855 10.3855 10.3855 10.3855 10.5987 10.5987 k = 0.5000 0.2887 0.3265 ( 7484 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9574 -23.9574 -23.9574 -23.9574 -23.7724 -23.7724 -23.7724 -23.7724 0.4949 0.4949 0.4949 0.4949 4.8409 4.8409 4.8409 4.8409 7.5596 7.5596 7.5596 7.5596 7.8261 7.8261 7.8261 7.8261 9.5444 9.5444 9.5444 9.5444 10.3869 10.3869 10.3869 10.3869 10.5969 10.5969 k = 0.5000 0.2887 0.3265 ( 7484 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9574 -23.9574 -23.9574 -23.9574 -23.7724 -23.7724 -23.7724 -23.7724 0.4949 0.4949 0.4949 0.4949 4.8409 4.8409 4.8409 4.8409 7.5596 7.5596 7.5596 7.5596 7.8261 7.8261 7.8261 7.8261 9.5444 9.5444 9.5444 9.5444 10.3869 10.3869 10.3869 10.3869 10.5969 10.5969 k = 0.4936 0.2998 0.3265 ( 7478 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9575 -23.9575 -23.9574 -23.9574 -23.7725 -23.7725 -23.7724 -23.7724 0.4952 0.4952 0.4955 0.4955 4.8416 4.8416 4.8428 4.8428 7.5416 7.5416 7.5677 7.5677 7.8140 7.8140 7.8377 7.8377 9.5460 9.5460 9.5461 9.5461 10.3870 10.3870 10.3878 10.3878 10.5955 10.5955 k = 0.4872 0.3109 0.3265 ( 7482 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9575 -23.9575 -23.9574 -23.9574 -23.7725 -23.7725 -23.7724 -23.7724 0.4963 0.4963 0.4971 0.4971 4.8450 4.8450 4.8473 4.8473 7.5151 7.5151 7.5647 7.5647 7.8029 7.8029 7.8477 7.8477 9.5509 9.5509 9.5509 9.5509 10.3882 10.3882 10.3897 10.3897 10.5919 10.5919 k = 0.4808 0.3220 0.3265 ( 7484 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9575 -23.9575 -23.9574 -23.9574 -23.7725 -23.7725 -23.7724 -23.7724 0.4984 0.4984 0.4995 0.4995 4.8511 4.8511 4.8546 4.8546 7.4806 7.4806 7.5496 7.5496 7.7940 7.7940 7.8557 7.8557 9.5587 9.5587 9.5589 9.5589 10.3903 10.3903 10.3927 10.3927 10.5862 10.5865 k = 0.4744 0.3331 0.3265 ( 7476 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9576 -23.9576 -23.9575 -23.9575 -23.7725 -23.7725 -23.7724 -23.7724 0.5014 0.5014 0.5028 0.5028 4.8597 4.8597 4.8645 4.8645 7.4389 7.4389 7.5222 7.5222 7.7879 7.7879 7.8615 7.8615 9.5694 9.5694 9.5695 9.5695 10.3937 10.3937 10.3968 10.3968 10.5787 10.5790 k = 0.4679 0.3442 0.3265 ( 7472 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5469 -24.5469 -24.5468 -24.5468 -23.9576 -23.9576 -23.9575 -23.9575 -23.7725 -23.7725 -23.7724 -23.7724 0.5052 0.5052 0.5070 0.5070 4.8710 4.8710 4.8771 4.8771 7.3904 7.3904 7.4837 7.4837 7.7842 7.7842 7.8653 7.8653 9.5824 9.5824 9.5825 9.5825 10.3983 10.3983 10.4023 10.4023 10.5690 10.5690 k = 0.4615 0.3553 0.3265 ( 7472 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5469 -24.5469 -24.5468 -24.5468 -23.9577 -23.9577 -23.9575 -23.9575 -23.7725 -23.7725 -23.7724 -23.7724 0.5099 0.5099 0.5120 0.5120 4.8847 4.8847 4.8923 4.8923 7.3355 7.3355 7.4355 7.4355 7.7821 7.7821 7.8672 7.8672 9.5973 9.5973 9.5974 9.5974 10.4042 10.4042 10.4094 10.4094 10.5577 10.5579 k = 0.4551 0.3664 0.3265 ( 7466 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5470 -24.5470 -24.5468 -24.5468 -23.9578 -23.9578 -23.9576 -23.9576 -23.7725 -23.7725 -23.7724 -23.7724 0.5153 0.5153 0.5178 0.5178 4.9010 4.9010 4.9101 4.9101 7.2748 7.2748 7.3793 7.3793 7.7808 7.7808 7.8677 7.8677 9.6138 9.6138 9.6138 9.6138 10.4115 10.4115 10.4180 10.4180 10.5452 10.5460 k = 0.4487 0.3775 0.3265 ( 7470 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5470 -24.5470 -24.5469 -24.5469 -23.9578 -23.9578 -23.9576 -23.9576 -23.7725 -23.7725 -23.7724 -23.7724 0.5214 0.5214 0.5242 0.5242 4.9196 4.9196 4.9306 4.9306 7.2088 7.2088 7.3164 7.3164 7.7797 7.7797 7.8669 7.8669 9.6312 9.6312 9.6314 9.6314 10.4199 10.4199 10.4285 10.4285 10.5315 10.5315 k = 0.4423 0.3886 0.3265 ( 7474 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5471 -24.5471 -24.5469 -24.5469 -23.9579 -23.9579 -23.9577 -23.9577 -23.7725 -23.7725 -23.7724 -23.7724 0.5282 0.5282 0.5314 0.5314 4.9406 4.9406 4.9535 4.9535 7.1382 7.1382 7.2481 7.2481 7.7785 7.7785 7.8651 7.8651 9.6494 9.6494 9.6497 9.6497 10.4287 10.4287 10.4407 10.4407 10.5153 10.5153 k = 0.4359 0.3997 0.3265 ( 7478 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5471 -24.5471 -24.5469 -24.5469 -23.9580 -23.9580 -23.9577 -23.9577 -23.7725 -23.7725 -23.7724 -23.7724 0.5356 0.5356 0.5391 0.5391 4.9639 4.9639 4.9790 4.9790 7.0635 7.0635 7.1755 7.1755 7.7770 7.7770 7.8626 7.8626 9.6679 9.6679 9.6685 9.6685 10.4357 10.4357 10.4541 10.4541 10.4986 10.4986 k = 0.4295 0.4108 0.3265 ( 7472 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5472 -24.5472 -24.5470 -24.5470 -23.9581 -23.9581 -23.9578 -23.9578 -23.7725 -23.7725 -23.7724 -23.7724 0.5436 0.5436 0.5473 0.5473 4.9894 4.9894 5.0070 5.0070 6.9854 6.9854 7.0994 7.0994 7.7753 7.7753 7.8596 7.8596 9.6864 9.6864 9.6874 9.6874 10.4364 10.4364 10.4628 10.4628 10.4875 10.4876 k = 0.4231 0.4219 0.3265 ( 7480 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5472 -24.5472 -24.5470 -24.5470 -23.9582 -23.9582 -23.9579 -23.9579 -23.7725 -23.7725 -23.7724 -23.7724 0.5519 0.5519 0.5560 0.5560 5.0168 5.0168 5.0374 5.0374 6.9046 6.9046 7.0209 7.0209 7.7732 7.7732 7.8561 7.8561 9.7049 9.7049 9.7062 9.7062 10.4274 10.4274 10.4509 10.4509 10.4983 10.4983 k = 0.4167 0.4330 0.3265 ( 7476 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5473 -24.5473 -24.5470 -24.5470 -23.9583 -23.9583 -23.9579 -23.9579 -23.7725 -23.7725 -23.7724 -23.7724 0.5606 0.5606 0.5650 0.5650 5.0462 5.0462 5.0701 5.0701 6.8217 6.8217 6.9407 6.9407 7.7708 7.7708 7.8523 7.8523 9.7230 9.7230 9.7248 9.7248 10.4117 10.4117 10.4309 10.4309 10.5186 10.5189 k = 0.4103 0.4441 0.3265 ( 7480 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5473 -24.5473 -24.5471 -24.5471 -23.9584 -23.9584 -23.9580 -23.9580 -23.7725 -23.7725 -23.7724 -23.7724 0.5696 0.5696 0.5742 0.5742 5.0772 5.0772 5.1050 5.1050 6.7376 6.7376 6.8597 6.8597 7.7682 7.7682 7.8484 7.8484 9.7409 9.7409 9.7431 9.7431 10.3925 10.3925 10.4091 10.4091 10.5421 10.5422 k = 0.4038 0.4552 0.3265 ( 7464 PWs) bands (ev): -47.8376 -47.8376 -47.8375 -47.8375 -24.5474 -24.5474 -24.5471 -24.5471 -23.9585 -23.9585 -23.9581 -23.9581 -23.7725 -23.7725 -23.7724 -23.7724 0.5786 0.5786 0.5835 0.5835 5.1097 5.1097 5.1420 5.1420 6.6527 6.6527 6.7788 6.7788 7.7654 7.7654 7.8445 7.8445 9.7583 9.7583 9.7611 9.7611 10.3715 10.3715 10.3864 10.3864 10.5681 10.5681 k = 0.3974 0.4663 0.3265 ( 7462 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5474 -24.5474 -24.5472 -24.5472 -23.9585 -23.9585 -23.9582 -23.9582 -23.7725 -23.7725 -23.7724 -23.7724 0.5877 0.5877 0.5928 0.5928 5.1434 5.1434 5.1810 5.1810 6.5679 6.5679 6.6987 6.6987 7.7625 7.7625 7.8405 7.8405 9.7753 9.7753 9.7786 9.7786 10.3498 10.3498 10.3634 10.3634 10.5963 10.5965 k = 0.3910 0.4774 0.3265 ( 7466 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5475 -24.5475 -24.5472 -24.5472 -23.9586 -23.9586 -23.9582 -23.9582 -23.7725 -23.7725 -23.7723 -23.7723 0.5966 0.5966 0.6020 0.6020 5.1778 5.1778 5.2218 5.2218 6.4837 6.4837 6.6204 6.6204 7.7596 7.7596 7.8367 7.8367 9.7918 9.7918 9.7958 9.7958 10.3276 10.3276 10.3402 10.3402 10.6263 10.6265 k = 0.3846 0.4885 0.3265 ( 7470 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5476 -24.5476 -24.5473 -24.5473 -23.9587 -23.9587 -23.9583 -23.9583 -23.7725 -23.7725 -23.7723 -23.7723 0.6053 0.6053 0.6109 0.6109 5.2126 5.2126 5.2642 5.2642 6.4010 6.4010 6.5448 6.5448 7.7567 7.7567 7.8330 7.8330 9.8079 9.8079 9.8124 9.8124 10.3055 10.3055 10.3172 10.3172 10.6580 10.6580 k = 0.3782 0.4996 0.3265 ( 7466 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5476 -24.5476 -24.5473 -24.5473 -23.9588 -23.9588 -23.9584 -23.9584 -23.7725 -23.7725 -23.7723 -23.7723 0.6136 0.6136 0.6193 0.6193 5.2471 5.2471 5.3077 5.3077 6.3206 6.3206 6.4730 6.4730 7.7540 7.7540 7.8296 7.8296 9.8234 9.8234 9.8286 9.8286 10.2839 10.2839 10.2948 10.2948 10.6911 10.6911 k = 0.3718 0.5107 0.3265 ( 7478 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5476 -24.5476 -24.5473 -24.5473 -23.9589 -23.9589 -23.9584 -23.9584 -23.7725 -23.7725 -23.7723 -23.7723 0.6213 0.6213 0.6272 0.6272 5.2806 5.2806 5.3518 5.3518 6.2432 6.2432 6.4061 6.4061 7.7514 7.7514 7.8266 7.8266 9.8383 9.8383 9.8440 9.8440 10.2630 10.2630 10.2732 10.2732 10.7254 10.7254 k = 0.3654 0.5218 0.3265 ( 7474 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5477 -24.5477 -24.5474 -24.5474 -23.9589 -23.9589 -23.9585 -23.9585 -23.7725 -23.7725 -23.7723 -23.7723 0.6283 0.6283 0.6343 0.6343 5.3121 5.3121 5.3960 5.3960 6.1702 6.1702 6.3455 6.3455 7.7490 7.7490 7.8238 7.8238 9.8522 9.8522 9.8585 9.8585 10.2435 10.2435 10.2530 10.2530 10.7607 10.7607 k = 0.3590 0.5329 0.3265 ( 7470 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5477 -24.5477 -24.5474 -24.5474 -23.9590 -23.9590 -23.9585 -23.9585 -23.7724 -23.7724 -23.7723 -23.7723 0.6343 0.6343 0.6405 0.6405 5.3404 5.3404 5.4388 5.4388 6.1031 6.1031 6.2927 6.2927 7.7470 7.7470 7.8215 7.8215 9.8649 9.8649 9.8718 9.8718 10.2258 10.2258 10.2347 10.2347 10.7967 10.7967 k = 0.3526 0.5440 0.3265 ( 7454 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5474 -24.5474 -23.9590 -23.9590 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6394 0.6394 0.6456 0.6456 5.3643 5.3643 5.4784 5.4784 6.0440 6.0440 6.2493 6.2493 7.7453 7.7453 7.8196 7.8196 9.8759 9.8759 9.8832 9.8832 10.2107 10.2107 10.2190 10.2190 10.8332 10.8334 k = 0.3462 0.5551 0.3265 ( 7454 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5474 -24.5474 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6432 0.6432 0.6495 0.6495 5.3824 5.3824 5.5119 5.5119 5.9964 5.9964 6.2170 6.2170 7.7441 7.7441 7.8183 7.8183 9.8845 9.8845 9.8922 9.8922 10.1990 10.1990 10.2067 10.2067 10.8701 10.8701 k = 0.3397 0.5662 0.3265 ( 7454 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5475 -24.5475 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6456 0.6456 0.6519 0.6519 5.3936 5.3936 5.5348 5.5348 5.9648 5.9648 6.1972 6.1972 7.7433 7.7433 7.8174 7.8174 9.8900 9.8900 9.8981 9.8981 10.1914 10.1914 10.1988 10.1988 10.9071 10.9076 k = 0.3333 0.5774 0.3265 ( 7458 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5475 -24.5475 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6464 0.6464 0.6528 0.6528 5.3972 5.3972 5.5430 5.5430 5.9537 5.9537 6.1905 6.1905 7.7430 7.7430 7.8172 7.8172 9.8920 9.8920 9.9001 9.9001 10.1887 10.1887 10.1961 10.1961 10.9323 10.9323 k = 0.3333 0.5774 0.3265 ( 7458 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5475 -24.5475 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6464 0.6464 0.6528 0.6528 5.3972 5.3972 5.5430 5.5430 5.9537 5.9537 6.1905 6.1905 7.7430 7.7430 7.8172 7.8172 9.8920 9.8920 9.9001 9.9001 10.1887 10.1887 10.1961 10.1961 10.9323 10.9324 k = 0.3269 0.5662 0.3265 ( 7450 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5475 -24.5475 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6455 0.6455 0.6519 0.6519 5.3938 5.3938 5.5353 5.5353 5.9644 5.9644 6.1970 6.1970 7.7433 7.7433 7.8174 7.8174 9.8900 9.8900 9.8980 9.8980 10.1915 10.1915 10.1989 10.1989 10.9068 10.9100 k = 0.3205 0.5551 0.3265 ( 7466 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5474 -24.5474 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6427 0.6427 0.6491 0.6491 5.3844 5.3844 5.5151 5.5151 5.9937 5.9937 6.2155 6.2155 7.7442 7.7442 7.8183 7.8183 9.8842 9.8842 9.8919 9.8919 10.1996 10.1996 10.2074 10.2074 10.8688 10.8688 k = 0.3141 0.5440 0.3265 ( 7460 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5477 -24.5477 -24.5474 -24.5474 -23.9590 -23.9590 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6380 0.6380 0.6442 0.6442 5.3708 5.3708 5.4878 5.4878 6.0364 6.0364 6.2445 6.2445 7.7457 7.7457 7.8198 7.8198 9.8750 9.8750 9.8823 9.8823 10.2128 10.2128 10.2211 10.2211 10.8301 10.8301 k = 0.3077 0.5329 0.3265 ( 7464 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5477 -24.5477 -24.5474 -24.5474 -23.9590 -23.9590 -23.9585 -23.9585 -23.7725 -23.7725 -23.7723 -23.7723 0.6311 0.6311 0.6372 0.6372 5.3547 5.3547 5.4581 5.4581 6.0879 6.0879 6.2822 6.2822 7.7478 7.7478 7.8219 7.8219 9.8631 9.8631 9.8699 9.8699 10.2304 10.2304 10.2394 10.2394 10.7907 10.7907 k = 0.3013 0.5218 0.3265 ( 7468 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5477 -24.5477 -24.5473 -24.5473 -23.9589 -23.9589 -23.9584 -23.9584 -23.7725 -23.7725 -23.7723 -23.7723 0.6219 0.6219 0.6280 0.6280 5.3380 5.3380 5.4289 5.4289 6.1452 6.1452 6.3269 6.3269 7.7506 7.7506 7.8246 7.8246 9.8493 9.8493 9.8555 9.8555 10.2518 10.2518 10.2617 10.2617 10.7506 10.7506 k = 0.2949 0.5107 0.3265 ( 7464 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5476 -24.5476 -24.5473 -24.5473 -23.9588 -23.9588 -23.9584 -23.9584 -23.7725 -23.7725 -23.7723 -23.7723 0.6105 0.6105 0.6164 0.6164 5.3222 5.3222 5.4021 5.4021 6.2066 6.2066 6.3772 6.3772 7.7540 7.7540 7.8279 7.8279 9.8342 9.8342 9.8397 9.8397 10.2765 10.2765 10.2873 10.2873 10.7099 10.7100 k = 0.2885 0.4996 0.3265 ( 7464 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5475 -24.5475 -24.5472 -24.5472 -23.9587 -23.9587 -23.9583 -23.9583 -23.7725 -23.7725 -23.7723 -23.7723 0.5966 0.5966 0.6024 0.6024 5.3083 5.3083 5.3789 5.3789 6.2708 6.2708 6.4318 6.4318 7.7581 7.7581 7.8317 7.8317 9.8183 9.8183 9.8231 9.8231 10.3040 10.3040 10.3159 10.3159 10.6687 10.6687 k = 0.2821 0.4885 0.3265 ( 7470 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5474 -24.5474 -24.5472 -24.5472 -23.9586 -23.9586 -23.9581 -23.9581 -23.7725 -23.7725 -23.7724 -23.7724 0.5804 0.5804 0.5860 0.5860 5.2973 5.2973 5.3600 5.3600 6.3371 6.3371 6.4897 6.4897 7.7629 7.7629 7.8361 7.8361 9.8020 9.8020 9.8061 9.8061 10.3340 10.3340 10.3471 10.3471 10.6271 10.6271 k = 0.2756 0.4774 0.3265 ( 7474 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5474 -24.5474 -24.5471 -24.5471 -23.9584 -23.9584 -23.9580 -23.9580 -23.7725 -23.7725 -23.7724 -23.7724 0.5618 0.5618 0.5671 0.5671 5.2899 5.2899 5.3458 5.3458 6.4048 6.4048 6.5501 6.5501 7.7684 7.7684 7.8410 7.8410 9.7857 9.7857 9.7891 9.7891 10.3660 10.3660 10.3806 10.3806 10.5851 10.5851 k = 0.2692 0.4663 0.3265 ( 7482 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5472 -24.5472 -24.5470 -24.5470 -23.9582 -23.9582 -23.9578 -23.9578 -23.7725 -23.7725 -23.7724 -23.7724 0.5407 0.5407 0.5458 0.5458 5.2865 5.2865 5.3367 5.3367 6.4735 6.4735 6.6123 6.6123 7.7745 7.7745 7.8463 7.8463 9.7696 9.7696 9.7723 9.7723 10.3996 10.3996 10.4161 10.4161 10.5431 10.5431 k = 0.2628 0.4552 0.3265 ( 7478 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5471 -24.5471 -24.5469 -24.5469 -23.9581 -23.9581 -23.9577 -23.9577 -23.7725 -23.7725 -23.7724 -23.7724 0.5173 0.5173 0.5222 0.5222 5.2875 5.2875 5.3327 5.3327 6.5429 6.5429 6.6758 6.6758 7.7813 7.7813 7.8521 7.8521 9.7540 9.7540 9.7560 9.7560 10.4330 10.4330 10.4527 10.4527 10.5020 10.5020 k = 0.2564 0.4441 0.3265 ( 7478 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5470 -24.5470 -24.5467 -24.5467 -23.9579 -23.9579 -23.9575 -23.9575 -23.7725 -23.7725 -23.7724 -23.7724 0.4917 0.4917 0.4963 0.4963 5.2930 5.2930 5.3340 5.3340 6.6125 6.6125 6.7400 6.7400 7.7887 7.7887 7.8582 7.8582 9.7389 9.7389 9.7402 9.7402 10.4466 10.4466 10.4553 10.4553 10.4901 10.4901 k = 0.2500 0.4330 0.3265 ( 7478 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5466 -24.5466 -23.9576 -23.9576 -23.9573 -23.9573 -23.7725 -23.7725 -23.7724 -23.7724 0.4639 0.4639 0.4683 0.4683 5.3032 5.3032 5.3405 5.3405 6.6822 6.6822 6.8045 6.8045 7.7967 7.7967 7.8647 7.8647 9.7247 9.7247 9.7251 9.7251 10.4132 10.4132 10.4150 10.4150 10.5207 10.5207 k = 0.2436 0.4219 0.3265 ( 7474 PWs) bands (ev): -47.8377 -47.8377 -47.8376 -47.8376 -24.5467 -24.5467 -24.5464 -24.5464 -23.9574 -23.9574 -23.9570 -23.9570 -23.7726 -23.7726 -23.7725 -23.7725 0.4340 0.4340 0.4382 0.4382 5.3181 5.3181 5.3522 5.3522 6.7516 6.7516 6.8688 6.8688 7.8053 7.8053 7.8713 7.8713 9.7109 9.7109 9.7114 9.7114 10.3728 10.3728 10.3737 10.3737 10.5606 10.5606 k = 0.2372 0.4108 0.3265 ( 7478 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5465 -24.5465 -24.5463 -24.5463 -23.9571 -23.9571 -23.9568 -23.9568 -23.7726 -23.7726 -23.7725 -23.7725 0.4023 0.4023 0.4062 0.4062 5.3377 5.3377 5.3690 5.3690 6.8205 6.8205 6.9326 6.9326 7.8145 7.8145 7.8780 7.8780 9.6977 9.6977 9.6990 9.6990 10.3319 10.3319 10.3329 10.3329 10.6031 10.6031 k = 0.2308 0.3997 0.3265 ( 7478 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5463 -24.5463 -24.5461 -24.5461 -23.9569 -23.9569 -23.9565 -23.9565 -23.7726 -23.7726 -23.7725 -23.7725 0.3688 0.3688 0.3724 0.3724 5.3619 5.3619 5.3906 5.3906 6.8887 6.8887 6.9955 6.9955 7.8241 7.8241 7.8849 7.8849 9.6855 9.6855 9.6877 9.6877 10.2916 10.2916 10.2929 10.2929 10.6473 10.6473 k = 0.2244 0.3886 0.3265 ( 7472 PWs) bands (ev): -47.8377 -47.8377 -47.8377 -47.8377 -24.5461 -24.5461 -24.5459 -24.5459 -23.9566 -23.9566 -23.9563 -23.9563 -23.7726 -23.7726 -23.7725 -23.7725 0.3338 0.3338 0.3371 0.3371 5.3905 5.3905 5.4170 5.4170 6.9558 6.9558 7.0572 7.0572 7.8341 7.8341 7.8916 7.8916 9.6744 9.6744 9.6776 9.6776 10.2523 10.2523 10.2539 10.2539 10.6931 10.6931 k = 0.2179 0.3775 0.3265 ( 7478 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5459 -24.5459 -24.5457 -24.5457 -23.9562 -23.9562 -23.9560 -23.9560 -23.7727 -23.7727 -23.7726 -23.7726 0.2974 0.2974 0.3005 0.3005 5.4235 5.4235 5.4478 5.4478 7.0216 7.0216 7.1173 7.1173 7.8446 7.8446 7.8983 7.8983 9.6645 9.6645 9.6687 9.6687 10.2141 10.2141 10.2162 10.2162 10.7403 10.7403 k = 0.2115 0.3664 0.3265 ( 7482 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5457 -24.5457 -24.5455 -24.5455 -23.9559 -23.9559 -23.9557 -23.9557 -23.7727 -23.7727 -23.7726 -23.7726 0.2598 0.2598 0.2626 0.2626 5.4606 5.4606 5.4830 5.4830 7.0859 7.0859 7.1754 7.1754 7.8554 7.8554 7.9047 7.9047 9.6558 9.6558 9.6611 9.6611 10.1775 10.1775 10.1800 10.1800 10.7887 10.7887 k = 0.2051 0.3553 0.3265 ( 7470 PWs) bands (ev): -47.8378 -47.8378 -47.8378 -47.8378 -24.5455 -24.5455 -24.5453 -24.5453 -23.9556 -23.9556 -23.9553 -23.9553 -23.7727 -23.7727 -23.7726 -23.7726 0.2212 0.2212 0.2238 0.2238 5.5016 5.5016 5.5223 5.5223 7.1485 7.1485 7.2314 7.2314 7.8665 7.8665 7.9109 7.9109 9.6484 9.6484 9.6548 9.6548 10.1425 10.1425 10.1454 10.1454 10.8382 10.8382 k = 0.1987 0.3442 0.3265 ( 7472 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5453 -24.5453 -24.5451 -24.5451 -23.9552 -23.9552 -23.9550 -23.9550 -23.7727 -23.7727 -23.7727 -23.7727 0.1818 0.1818 0.1842 0.1842 5.5462 5.5462 5.5653 5.5653 7.2091 7.2091 7.2848 7.2848 7.8778 7.8778 7.9166 7.9166 9.6424 9.6424 9.6498 9.6498 10.1094 10.1094 10.1127 10.1127 10.8886 10.8886 k = 0.1923 0.3331 0.3265 ( 7482 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5450 -24.5450 -24.5449 -24.5449 -23.9549 -23.9549 -23.9546 -23.9546 -23.7728 -23.7728 -23.7727 -23.7727 0.1418 0.1418 0.1440 0.1440 5.5943 5.5943 5.6118 5.6118 7.2676 7.2676 7.3355 7.3355 7.8893 7.8893 7.9219 7.9219 9.6377 9.6377 9.6462 9.6462 10.0785 10.0785 10.0821 10.0821 10.9394 10.9394 k = 0.1859 0.3220 0.3265 ( 7478 PWs) bands (ev): -47.8379 -47.8379 -47.8379 -47.8379 -24.5448 -24.5448 -24.5446 -24.5446 -23.9545 -23.9545 -23.9543 -23.9543 -23.7728 -23.7728 -23.7727 -23.7727 0.1014 0.1014 0.1034 0.1034 5.6455 5.6455 5.6615 5.6615 7.3236 7.3236 7.3833 7.3833 7.9008 7.9008 7.9266 7.9266 9.6344 9.6344 9.6439 9.6439 10.0498 10.0498 10.0537 10.0537 10.9904 10.9904 k = 0.1795 0.3109 0.3265 ( 7478 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5445 -24.5445 -24.5444 -24.5444 -23.9541 -23.9541 -23.9539 -23.9539 -23.7728 -23.7728 -23.7728 -23.7728 0.0608 0.0608 0.0625 0.0625 5.6996 5.6996 5.7142 5.7142 7.3772 7.3772 7.4279 7.4279 7.9122 7.9122 7.9308 7.9308 9.6326 9.6326 9.6430 9.6430 10.0234 10.0234 10.0277 10.0277 11.0408 11.0408 k = 0.1731 0.2998 0.3265 ( 7478 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5443 -24.5443 -24.5441 -24.5441 -23.9537 -23.9537 -23.9535 -23.9535 -23.7729 -23.7729 -23.7728 -23.7728 0.0201 0.0201 0.0217 0.0217 5.7563 5.7563 5.7696 5.7696 7.4280 7.4280 7.4693 7.4693 7.9235 7.9235 7.9344 7.9344 9.6321 9.6321 9.6434 9.6434 9.9996 9.9996 10.0041 10.0041 11.0898 11.0898 k = 0.1667 0.2887 0.3265 ( 7478 PWs) bands (ev): -47.8380 -47.8380 -47.8380 -47.8380 -24.5440 -24.5440 -24.5439 -24.5439 -23.9533 -23.9533 -23.9532 -23.9532 -23.7729 -23.7729 -23.7729 -23.7729 -0.0205 -0.0205 -0.0191 -0.0191 5.8153 5.8153 5.8272 5.8272 7.4759 7.4759 7.5074 7.5074 7.9346 7.9346 7.9373 7.9373 9.6331 9.6331 9.6452 9.6452 9.9783 9.9783 9.9830 9.9830 11.1357 11.1357 k = 0.1603 0.2776 0.3265 ( 7472 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5437 -24.5437 -24.5436 -24.5436 -23.9529 -23.9529 -23.9528 -23.9528 -23.7729 -23.7729 -23.7729 -23.7729 -0.0607 -0.0607 -0.0595 -0.0595 5.8762 5.8762 5.8869 5.8869 7.5208 7.5208 7.5423 7.5423 7.9397 7.9397 7.9453 7.9453 9.6356 9.6356 9.6483 9.6483 9.9596 9.9596 9.9645 9.9645 11.1765 11.1765 k = 0.1538 0.2665 0.3265 ( 7476 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5435 -24.5435 -24.5434 -24.5434 -23.9525 -23.9525 -23.9524 -23.9524 -23.7730 -23.7730 -23.7729 -23.7729 -0.1006 -0.1006 -0.0995 -0.0995 5.9388 5.9388 5.9483 5.9483 7.5626 7.5626 7.5739 7.5739 7.9416 7.9416 7.9555 7.9555 9.6395 9.6395 9.6527 9.6527 9.9435 9.9435 9.9484 9.9484 11.2094 11.2094 k = 0.1474 0.2554 0.3265 ( 7476 PWs) bands (ev): -47.8381 -47.8381 -47.8381 -47.8381 -24.5432 -24.5432 -24.5431 -24.5431 -23.9521 -23.9521 -23.9520 -23.9520 -23.7730 -23.7730 -23.7730 -23.7730 -0.1398 -0.1398 -0.1388 -0.1388 6.0027 6.0027 6.0110 6.0110 7.6012 7.6012 7.6024 7.6024 7.9431 7.9431 7.9651 7.9651 9.6448 9.6448 9.6583 9.6583 9.9298 9.9298 9.9348 9.9348 11.2313 11.2313 k = 0.1410 0.2443 0.3265 ( 7480 PWs) bands (ev): -47.8382 -47.8382 -47.8382 -47.8382 -24.5429 -24.5429 -24.5429 -24.5429 -23.9517 -23.9517 -23.9516 -23.9516 -23.7730 -23.7730 -23.7730 -23.7730 -0.1782 -0.1782 -0.1774 -0.1774 6.0676 6.0676 6.0748 6.0748 7.6280 7.6280 7.6366 7.6366 7.9443 7.9443 7.9741 7.9741 9.6516 9.6516 9.6652 9.6652 9.9185 9.9185 9.9235 9.9235 11.2402 11.2402 k = 0.1346 0.2332 0.3265 ( 7488 PWs) bands (ev): -47.8382 -47.8382 -47.8382 -47.8382 -24.5427 -24.5427 -24.5426 -24.5426 -23.9513 -23.9513 -23.9512 -23.9512 -23.7731 -23.7731 -23.7730 -23.7730 -0.2158 -0.2158 -0.2151 -0.2151 6.1332 6.1332 6.1393 6.1393 7.6508 7.6508 7.6686 7.6686 7.9454 7.9454 7.9822 7.9822 9.6597 9.6597 9.6733 9.6733 9.9094 9.9094 9.9143 9.9143 11.2361 11.2361 k = 0.1282 0.2221 0.3265 ( 7476 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5424 -24.5424 -24.5424 -24.5424 -23.9509 -23.9509 -23.9508 -23.9508 -23.7731 -23.7731 -23.7731 -23.7731 -0.2524 -0.2524 -0.2518 -0.2518 6.1990 6.1990 6.2040 6.2040 7.6712 7.6712 7.6971 7.6971 7.9467 7.9467 7.9896 7.9896 9.6692 9.6692 9.6825 9.6825 9.9023 9.9023 9.9070 9.9070 11.2207 11.2207 k = 0.1218 0.2110 0.3265 ( 7480 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5422 -24.5422 -24.5421 -24.5421 -23.9505 -23.9505 -23.9504 -23.9504 -23.7731 -23.7731 -23.7731 -23.7731 -0.2879 -0.2879 -0.2873 -0.2873 6.2647 6.2647 6.2688 6.2688 7.6894 7.6894 7.7223 7.7223 7.9484 7.9484 7.9961 7.9961 9.6799 9.6799 9.6929 9.6929 9.8969 9.8969 9.9015 9.9015 11.1964 11.1964 k = 0.1154 0.1999 0.3265 ( 7476 PWs) bands (ev): -47.8383 -47.8383 -47.8383 -47.8383 -24.5419 -24.5419 -24.5419 -24.5419 -23.9501 -23.9501 -23.9501 -23.9501 -23.7732 -23.7732 -23.7731 -23.7731 -0.3221 -0.3221 -0.3217 -0.3217 6.3299 6.3299 6.3331 6.3331 7.7056 7.7056 7.7440 7.7440 7.9507 7.9507 8.0018 8.0018 9.6917 9.6917 9.7042 9.7042 9.8931 9.8931 9.8976 9.8976 11.1654 11.1655 k = 0.1090 0.1887 0.3265 ( 7472 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5417 -24.5417 -24.5416 -24.5416 -23.9498 -23.9498 -23.9497 -23.9497 -23.7732 -23.7732 -23.7732 -23.7732 -0.3550 -0.3550 -0.3546 -0.3546 6.3943 6.3943 6.3966 6.3966 7.7202 7.7202 7.7623 7.7623 7.9538 7.9538 8.0067 8.0067 9.7045 9.7045 9.7164 9.7164 9.8906 9.8906 9.8949 9.8949 11.1297 11.1297 k = 0.1026 0.1776 0.3265 ( 7468 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5414 -24.5414 -24.5414 -24.5414 -23.9494 -23.9494 -23.9493 -23.9493 -23.7732 -23.7732 -23.7732 -23.7732 -0.3865 -0.3865 -0.3862 -0.3862 6.4573 6.4573 6.4589 6.4589 7.7334 7.7334 7.7774 7.7774 7.9580 7.9580 8.0109 8.0109 9.7183 9.7183 9.7295 9.7295 9.8892 9.8892 9.8932 9.8932 11.0904 11.0905 k = 0.0962 0.1665 0.3265 ( 7472 PWs) bands (ev): -47.8384 -47.8384 -47.8384 -47.8384 -24.5412 -24.5412 -24.5412 -24.5412 -23.9490 -23.9490 -23.9490 -23.9490 -23.7733 -23.7733 -23.7732 -23.7732 -0.4165 -0.4165 -0.4162 -0.4162 6.5186 6.5186 6.5195 6.5195 7.7456 7.7456 7.7896 7.7896 7.9632 7.9632 8.0145 8.0145 9.7327 9.7327 9.7431 9.7431 9.8886 9.8886 9.8924 9.8924 11.0489 11.0490 k = 0.0897 0.1554 0.3265 ( 7470 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5410 -24.5410 -24.5410 -24.5410 -23.9487 -23.9487 -23.9487 -23.9487 -23.7733 -23.7733 -23.7733 -23.7733 -0.4449 -0.4449 -0.4447 -0.4447 6.5777 6.5777 6.5781 6.5781 7.7569 7.7569 7.7993 7.7993 7.9693 7.9693 8.0175 8.0175 9.7476 9.7476 9.7573 9.7573 9.8886 9.8886 9.8923 9.8923 11.0061 11.0061 k = 0.0833 0.1443 0.3265 ( 7474 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5408 -24.5408 -24.5407 -24.5407 -23.9484 -23.9484 -23.9484 -23.9484 -23.7733 -23.7733 -23.7733 -23.7733 -0.4716 -0.4716 -0.4715 -0.4715 6.6342 6.6342 6.6343 6.6343 7.7675 7.7675 7.8070 7.8070 7.9763 7.9763 8.0201 8.0201 9.7628 9.7628 9.7717 9.7717 9.8890 9.8890 9.8925 9.8925 10.9627 10.9627 k = 0.0769 0.1332 0.3265 ( 7466 PWs) bands (ev): -47.8385 -47.8385 -47.8385 -47.8385 -24.5406 -24.5406 -24.5406 -24.5406 -23.9481 -23.9481 -23.9481 -23.9481 -23.7733 -23.7733 -23.7733 -23.7733 -0.4966 -0.4966 -0.4965 -0.4965 6.6875 6.6875 6.6879 6.6879 7.7777 7.7777 7.8131 7.8131 7.9837 7.9837 8.0223 8.0223 9.7782 9.7782 9.7863 9.7863 9.8897 9.8897 9.8931 9.8931 10.9195 10.9195 k = 0.0705 0.1221 0.3265 ( 7458 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5404 -24.5404 -24.5404 -24.5404 -23.9478 -23.9478 -23.9478 -23.9478 -23.7734 -23.7734 -23.7734 -23.7734 -0.5198 -0.5198 -0.5197 -0.5197 6.7376 6.7376 6.7382 6.7382 7.7875 7.7875 7.8182 7.8182 7.9915 7.9915 8.0244 8.0244 9.7934 9.7934 9.8007 9.8007 9.8905 9.8905 9.8938 9.8938 10.8771 10.8771 k = 0.0641 0.1110 0.3265 ( 7458 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5402 -24.5402 -24.5402 -24.5402 -23.9475 -23.9475 -23.9475 -23.9475 -23.7734 -23.7734 -23.7734 -23.7734 -0.5412 -0.5412 -0.5411 -0.5411 6.7840 6.7840 6.7847 6.7847 7.7970 7.7970 7.8227 7.8227 7.9993 7.9993 8.0265 8.0265 9.8083 9.8083 9.8147 9.8147 9.8913 9.8913 9.8945 9.8945 10.8361 10.8361 k = 0.0577 0.0999 0.3265 ( 7454 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5400 -24.5400 -24.5400 -24.5400 -23.9473 -23.9473 -23.9473 -23.9473 -23.7734 -23.7734 -23.7734 -23.7734 -0.5607 -0.5607 -0.5606 -0.5606 6.8265 6.8265 6.8272 6.8272 7.8062 7.8062 7.8268 7.8268 8.0070 8.0070 8.0285 8.0285 9.8225 9.8225 9.8283 9.8283 9.8921 9.8921 9.8952 9.8952 10.7970 10.7970 k = 0.0513 0.0888 0.3265 ( 7440 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5399 -24.5399 -24.5399 -24.5399 -23.9471 -23.9471 -23.9471 -23.9471 -23.7734 -23.7734 -23.7734 -23.7734 -0.5782 -0.5782 -0.5782 -0.5782 6.8648 6.8648 6.8655 6.8655 7.8150 7.8150 7.8308 7.8308 8.0144 8.0144 8.0307 8.0307 9.8360 9.8360 9.8410 9.8410 9.8927 9.8927 9.8957 9.8957 10.7604 10.7604 k = 0.0449 0.0777 0.3265 ( 7446 PWs) bands (ev): -47.8386 -47.8386 -47.8386 -47.8386 -24.5398 -24.5398 -24.5398 -24.5398 -23.9469 -23.9469 -23.9469 -23.9469 -23.7734 -23.7734 -23.7734 -23.7734 -0.5938 -0.5938 -0.5938 -0.5938 6.8988 6.8988 6.8993 6.8993 7.8233 7.8233 7.8347 7.8347 8.0213 8.0213 8.0330 8.0330 9.8485 9.8485 9.8528 9.8528 9.8932 9.8932 9.8961 9.8961 10.7267 10.7267 k = 0.0385 0.0666 0.3265 ( 7442 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5397 -24.5397 -24.5397 -24.5397 -23.9467 -23.9467 -23.9467 -23.9467 -23.7735 -23.7735 -23.7735 -23.7735 -0.6074 -0.6074 -0.6074 -0.6074 6.9282 6.9282 6.9286 6.9286 7.8308 7.8308 7.8385 7.8385 8.0277 8.0277 8.0355 8.0355 9.8599 9.8599 9.8634 9.8634 9.8936 9.8936 9.8962 9.8962 10.6965 10.6965 k = 0.0321 0.0555 0.3265 ( 7438 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5396 -24.5396 -24.5396 -24.5396 -23.9465 -23.9465 -23.9465 -23.9465 -23.7735 -23.7735 -23.7735 -23.7735 -0.6189 -0.6189 -0.6189 -0.6189 6.9530 6.9530 6.9533 6.9533 7.8375 7.8375 7.8422 7.8422 8.0333 8.0333 8.0380 8.0380 9.8698 9.8698 9.8727 9.8727 9.8938 9.8938 9.8962 9.8962 10.6701 10.6701 k = 0.0256 0.0444 0.3265 ( 7442 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5395 -24.5395 -24.5395 -24.5395 -23.9464 -23.9464 -23.9464 -23.9464 -23.7735 -23.7735 -23.7735 -23.7735 -0.6284 -0.6284 -0.6284 -0.6284 6.9733 6.9733 6.9734 6.9734 7.8430 7.8430 7.8456 7.8456 8.0381 8.0381 8.0406 8.0406 9.8782 9.8782 9.8805 9.8805 9.8940 9.8940 9.8960 9.8960 10.6481 10.6484 k = 0.0192 0.0333 0.3265 ( 7442 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9463 -23.9463 -23.9463 -23.9463 -23.7735 -23.7735 -23.7735 -23.7735 -0.6357 -0.6357 -0.6357 -0.6357 6.9889 6.9889 6.9890 6.9890 7.8474 7.8474 7.8485 7.8485 8.0418 8.0418 8.0429 8.0429 9.8850 9.8850 9.8866 9.8866 9.8941 9.8941 9.8956 9.8956 10.6303 10.6303 k = 0.0128 0.0222 0.3265 ( 7446 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9463 -23.9463 -23.9463 -23.9463 -23.7735 -23.7735 -23.7735 -23.7735 -0.6410 -0.6410 -0.6410 -0.6410 7.0001 7.0001 7.0001 7.0001 7.8505 7.8505 7.8508 7.8508 8.0446 8.0446 8.0449 8.0449 9.8900 9.8900 9.8910 9.8910 9.8943 9.8943 9.8953 9.8953 10.6175 10.6175 k = 0.0064 0.0111 0.3265 ( 7450 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5394 -24.5394 -24.5394 -24.5394 -23.9462 -23.9462 -23.9462 -23.9462 -23.7735 -23.7735 -23.7735 -23.7735 -0.6442 -0.6442 -0.6442 -0.6442 7.0067 7.0067 7.0067 7.0067 7.8523 7.8523 7.8523 7.8523 8.0462 8.0462 8.0462 8.0462 9.8931 9.8931 9.8935 9.8935 9.8945 9.8945 9.8949 9.8949 10.6097 10.6097 k = 0.0000 0.0000 0.3265 ( 7462 PWs) bands (ev): -47.8387 -47.8387 -47.8387 -47.8387 -24.5393 -24.5393 -24.5393 -24.5393 -23.9462 -23.9462 -23.9462 -23.9462 -23.7735 -23.7735 -23.7735 -23.7735 -0.6453 -0.6453 -0.6453 -0.6453 7.0089 7.0089 7.0089 7.0089 7.8528 7.8528 7.8528 7.8528 8.0467 8.0467 8.0467 8.0467 9.8942 9.8942 9.8942 9.8942 9.8947 9.8947 9.8947 9.8947 10.6071 10.6071 k = 0.5000 0.2887 0.3265 ( 7484 PWs) bands (ev): -47.8376 -47.8376 -47.8376 -47.8376 -24.5468 -24.5468 -24.5468 -24.5468 -23.9574 -23.9574 -23.9574 -23.9574 -23.7724 -23.7724 -23.7724 -23.7724 0.4949 0.4949 0.4949 0.4949 4.8409 4.8409 4.8409 4.8409 7.5596 7.5596 7.5596 7.5596 7.8261 7.8261 7.8261 7.8261 9.5444 9.5444 9.5444 9.5444 10.3869 10.3869 10.3869 10.3869 10.5969 10.5969 k = 0.5000 0.2887 0.3134 ( 7494 PWs) bands (ev): -47.8381 -47.8381 -47.8371 -47.8371 -24.5472 -24.5472 -24.5463 -24.5463 -23.9582 -23.9582 -23.9567 -23.9567 -23.7767 -23.7767 -23.7682 -23.7682 0.4892 0.4892 0.5002 0.5002 4.8064 4.8064 4.8790 4.8790 7.5482 7.5482 7.5655 7.5655 7.8136 7.8136 7.8410 7.8410 9.4782 9.4782 9.6094 9.6094 10.3782 10.3782 10.3954 10.3954 10.5774 10.5774 k = 0.5000 0.2887 0.3004 ( 7490 PWs) bands (ev): -47.8386 -47.8386 -47.8366 -47.8366 -24.5477 -24.5477 -24.5458 -24.5458 -23.9589 -23.9589 -23.9560 -23.9560 -23.7809 -23.7809 -23.7639 -23.7639 0.4832 0.4832 0.5050 0.5050 4.7755 4.7755 4.9208 4.9208 7.5327 7.5327 7.5646 7.5646 7.8051 7.8051 7.8568 7.8568 9.4113 9.4113 9.6730 9.6730 10.3693 10.3693 10.4034 10.4034 10.5582 10.5582 k = 0.5000 0.2887 0.2873 ( 7490 PWs) bands (ev): -47.8391 -47.8391 -47.8361 -47.8361 -24.5482 -24.5482 -24.5454 -24.5454 -23.9596 -23.9596 -23.9553 -23.9553 -23.7851 -23.7851 -23.7597 -23.7597 0.4769 0.4769 0.5094 0.5094 4.7483 4.7483 4.9662 4.9662 7.5138 7.5138 7.5567 7.5567 7.8010 7.8010 7.8724 7.8724 9.3440 9.3440 9.7349 9.7349 10.3602 10.3602 10.4109 10.4109 10.5394 10.5394 k = 0.5000 0.2887 0.2743 ( 7494 PWs) bands (ev): -47.8396 -47.8396 -47.8357 -47.8357 -24.5487 -24.5487 -24.5450 -24.5450 -23.9602 -23.9602 -23.9546 -23.9546 -23.7891 -23.7891 -23.7555 -23.7555 0.4703 0.4703 0.5134 0.5134 4.7246 4.7246 5.0152 5.0152 7.4921 7.4921 7.5423 7.5423 7.8009 7.8009 7.8872 7.8872 9.2766 9.2766 9.7946 9.7946 10.3511 10.3511 10.4179 10.4179 10.5211 10.5211 k = 0.5000 0.2887 0.2612 ( 7488 PWs) bands (ev): -47.8401 -47.8401 -47.8352 -47.8352 -24.5492 -24.5492 -24.5446 -24.5446 -23.9609 -23.9609 -23.9540 -23.9540 -23.7932 -23.7932 -23.7513 -23.7513 0.4635 0.4635 0.5168 0.5168 4.7043 4.7043 5.0678 5.0678 7.4675 7.4675 7.5234 7.5234 7.8028 7.8028 7.9012 7.9012 9.2094 9.2094 9.8520 9.8520 10.3420 10.3420 10.4241 10.4241 10.5033 10.5033 k = 0.5000 0.2887 0.2481 ( 7486 PWs) bands (ev): -47.8405 -47.8405 -47.8347 -47.8347 -24.5498 -24.5498 -24.5442 -24.5442 -23.9616 -23.9616 -23.9533 -23.9533 -23.7971 -23.7971 -23.7472 -23.7472 0.4566 0.4566 0.5198 0.5198 4.6874 4.6874 5.1238 5.1238 7.4400 7.4400 7.5022 7.5022 7.8042 7.8042 7.9147 7.9147 9.1429 9.1429 9.9067 9.9067 10.3330 10.3330 10.4295 10.4295 10.4861 10.4861 k = 0.5000 0.2887 0.2351 ( 7478 PWs) bands (ev): -47.8410 -47.8410 -47.8343 -47.8343 -24.5503 -24.5503 -24.5439 -24.5439 -23.9622 -23.9622 -23.9527 -23.9527 -23.8009 -23.8009 -23.7432 -23.7432 0.4495 0.4495 0.5224 0.5224 4.6737 4.6737 5.1832 5.1832 7.4093 7.4093 7.4803 7.4803 7.8027 7.8027 7.9286 7.9286 9.0773 9.0773 9.9586 9.9586 10.3242 10.3242 10.4339 10.4339 10.4695 10.4695 k = 0.5000 0.2887 0.2220 ( 7466 PWs) bands (ev): -47.8414 -47.8414 -47.8338 -47.8338 -24.5508 -24.5508 -24.5435 -24.5435 -23.9629 -23.9629 -23.9520 -23.9520 -23.8045 -23.8045 -23.7393 -23.7393 0.4424 0.4424 0.5245 0.5245 4.6631 4.6631 5.2458 5.2458 7.3760 7.3760 7.4588 7.4588 7.7962 7.7962 7.9433 7.9433 9.0130 9.0130 10.0074 10.0074 10.3155 10.3155 10.4372 10.4372 10.4536 10.4536 k = 0.5000 0.2887 0.2090 ( 7478 PWs) bands (ev): -47.8419 -47.8419 -47.8334 -47.8334 -24.5513 -24.5513 -24.5432 -24.5432 -23.9635 -23.9635 -23.9514 -23.9514 -23.8081 -23.8081 -23.7355 -23.7355 0.4354 0.4354 0.5262 0.5262 4.6553 4.6553 5.3116 5.3116 7.3405 7.3405 7.4381 7.4381 7.7836 7.7836 7.9593 7.9593 8.9503 8.9503 10.0529 10.0529 10.3071 10.3071 10.4382 10.4382 10.4395 10.4395 k = 0.5000 0.2887 0.1959 ( 7486 PWs) bands (ev): -47.8423 -47.8423 -47.8330 -47.8330 -24.5518 -24.5518 -24.5429 -24.5429 -23.9641 -23.9641 -23.9508 -23.9508 -23.8114 -23.8114 -23.7319 -23.7319 0.4284 0.4284 0.5275 0.5275 4.6503 4.6503 5.3804 5.3804 7.3036 7.3036 7.4183 7.4183 7.7643 7.7643 7.9764 7.9764 8.8896 8.8896 10.0950 10.0950 10.2990 10.2990 10.4241 10.4241 10.4399 10.4399 k = 0.5000 0.2887 0.1828 ( 7482 PWs) bands (ev): -47.8427 -47.8427 -47.8326 -47.8326 -24.5523 -24.5523 -24.5427 -24.5427 -23.9646 -23.9646 -23.9503 -23.9503 -23.8146 -23.8146 -23.7284 -23.7284 0.4215 0.4215 0.5284 0.5284 4.6477 4.6477 5.4521 5.4521 7.2661 7.2661 7.3992 7.3992 7.7382 7.7382 7.9944 7.9944 8.8311 8.8311 10.1336 10.1336 10.2913 10.2913 10.4106 10.4106 10.4391 10.4391 k = 0.5000 0.2887 0.1698 ( 7476 PWs) bands (ev): -47.8430 -47.8430 -47.8322 -47.8322 -24.5527 -24.5527 -24.5424 -24.5424 -23.9651 -23.9651 -23.9497 -23.9497 -23.8177 -23.8177 -23.7250 -23.7250 0.4149 0.4149 0.5289 0.5289 4.6472 4.6472 5.5264 5.5264 7.2284 7.2284 7.3806 7.3806 7.7057 7.7057 8.0127 8.0127 8.7753 8.7753 10.1687 10.1687 10.2841 10.2841 10.3980 10.3980 10.4369 10.4369 k = 0.5000 0.2887 0.1567 ( 7468 PWs) bands (ev): -47.8434 -47.8434 -47.8318 -47.8318 -24.5532 -24.5532 -24.5422 -24.5422 -23.9656 -23.9656 -23.9492 -23.9492 -23.8205 -23.8205 -23.7219 -23.7219 0.4085 0.4085 0.5292 0.5292 4.6487 4.6487 5.6032 5.6032 7.1911 7.1911 7.3625 7.3625 7.6671 7.6671 8.0310 8.0310 8.7223 8.7223 10.2000 10.2000 10.2775 10.2775 10.3865 10.3865 10.4331 10.4331 k = 0.5000 0.2887 0.1437 ( 7456 PWs) bands (ev): -47.8437 -47.8437 -47.8315 -47.8315 -24.5536 -24.5536 -24.5420 -24.5420 -23.9661 -23.9661 -23.9488 -23.9488 -23.8232 -23.8232 -23.7190 -23.7190 0.4024 0.4024 0.5293 0.5293 4.6518 4.6518 5.6823 5.6823 7.1547 7.1547 7.3442 7.3442 7.6235 7.6235 8.0490 8.0490 8.6724 8.6724 10.2271 10.2271 10.2722 10.2722 10.3760 10.3760 10.4279 10.4279 k = 0.5000 0.2887 0.1306 ( 7458 PWs) bands (ev): -47.8440 -47.8440 -47.8312 -47.8312 -24.5540 -24.5540 -24.5418 -24.5418 -23.9665 -23.9665 -23.9483 -23.9483 -23.8257 -23.8257 -23.7162 -23.7162 0.3966 0.3966 0.5291 0.5291 4.6562 4.6562 5.7634 5.7634 7.1194 7.1194 7.3252 7.3252 7.5758 7.5758 8.0665 8.0665 8.6259 8.6259 10.2471 10.2471 10.2708 10.2708 10.3669 10.3669 10.4214 10.4214 k = 0.5000 0.2887 0.1175 ( 7470 PWs) bands (ev): -47.8443 -47.8443 -47.8309 -47.8309 -24.5544 -24.5544 -24.5416 -24.5416 -23.9669 -23.9669 -23.9479 -23.9479 -23.8279 -23.8279 -23.7137 -23.7137 0.3913 0.3913 0.5288 0.5288 4.6616 4.6616 5.8462 5.8462 7.0858 7.0858 7.3042 7.3042 7.5261 7.5261 8.0831 8.0831 8.5831 8.5831 10.2521 10.2521 10.2810 10.2810 10.3596 10.3596 10.4138 10.4138 k = 0.5000 0.2887 0.1045 ( 7474 PWs) bands (ev): -47.8446 -47.8446 -47.8307 -47.8307 -24.5547 -24.5547 -24.5414 -24.5414 -23.9673 -23.9673 -23.9476 -23.9476 -23.8299 -23.8299 -23.7114 -23.7114 0.3863 0.3863 0.5284 0.5284 4.6677 4.6677 5.9303 5.9303 7.0540 7.0540 7.2791 7.2791 7.4771 7.4771 8.0986 8.0986 8.5442 8.5442 10.2494 10.2494 10.2950 10.2950 10.3549 10.3549 10.4056 10.4056 k = 0.5000 0.2887 0.0914 ( 7474 PWs) bands (ev): -47.8448 -47.8448 -47.8304 -47.8304 -24.5551 -24.5551 -24.5413 -24.5413 -23.9676 -23.9676 -23.9473 -23.9473 -23.8317 -23.8317 -23.7094 -23.7094 0.3819 0.3819 0.5279 0.5279 4.6740 4.6740 6.0154 6.0154 7.0242 7.0242 7.2468 7.2468 7.4328 7.4328 8.1128 8.1128 8.5093 8.5093 10.2455 10.2456 10.3051 10.3051 10.3539 10.3539 10.3971 10.3971 k = 0.5000 0.2887 0.0784 ( 7478 PWs) bands (ev): -47.8450 -47.8450 -47.8302 -47.8302 -24.5553 -24.5553 -24.5412 -24.5412 -23.9679 -23.9679 -23.9470 -23.9470 -23.8333 -23.8333 -23.7076 -23.7076 0.3780 0.3780 0.5274 0.5274 4.6804 4.6804 6.1008 6.1008 6.9965 6.9965 7.2049 7.2049 7.3972 7.3972 8.1256 8.1256 8.4786 8.4786 10.2419 10.2419 10.3094 10.3094 10.3573 10.3573 10.3887 10.3887 k = 0.5000 0.2887 0.0653 ( 7482 PWs) bands (ev): -47.8452 -47.8452 -47.8301 -47.8301 -24.5556 -24.5556 -24.5411 -24.5411 -23.9681 -23.9681 -23.9467 -23.9467 -23.8347 -23.8347 -23.7061 -23.7061 0.3747 0.3747 0.5269 0.5269 4.6863 4.6863 6.1857 6.1857 6.9702 6.9702 7.1539 7.1539 7.3714 7.3714 8.1368 8.1368 8.4524 8.4524 10.2386 10.2386 10.3097 10.3097 10.3635 10.3635 10.3809 10.3809 k = 0.5000 0.2887 0.0522 ( 7480 PWs) bands (ev): -47.8453 -47.8453 -47.8299 -47.8299 -24.5558 -24.5558 -24.5410 -24.5410 -23.9683 -23.9683 -23.9466 -23.9466 -23.8358 -23.8358 -23.7048 -23.7048 0.3719 0.3719 0.5265 0.5265 4.6917 4.6917 6.2687 6.2687 6.9442 6.9442 7.0988 7.0988 7.3538 7.3538 8.1462 8.1462 8.4306 8.4306 10.2359 10.2359 10.3081 10.3081 10.3689 10.3689 10.3752 10.3752 k = 0.5000 0.2887 0.0392 ( 7484 PWs) bands (ev): -47.8454 -47.8454 -47.8298 -47.8298 -24.5559 -24.5559 -24.5410 -24.5410 -23.9685 -23.9685 -23.9464 -23.9464 -23.8366 -23.8366 -23.7038 -23.7038 0.3697 0.3697 0.5261 0.5261 4.6961 4.6961 6.3478 6.3478 6.9155 6.9155 7.0474 7.0474 7.3419 7.3419 8.1538 8.1538 8.4136 8.4136 10.2337 10.2338 10.3061 10.3062 10.3666 10.3666 10.3776 10.3776 k = 0.5000 0.2887 0.0261 ( 7480 PWs) bands (ev): -47.8455 -47.8455 -47.8298 -47.8298 -24.5560 -24.5560 -24.5409 -24.5409 -23.9686 -23.9686 -23.9463 -23.9463 -23.8372 -23.8372 -23.7031 -23.7031 0.3681 0.3681 0.5258 0.5258 4.6995 4.6995 6.4186 6.4186 6.8813 6.8813 7.0090 7.0090 7.3344 7.3344 8.1592 8.1592 8.4013 8.4013 10.2322 10.2322 10.3045 10.3045 10.3626 10.3626 10.3817 10.3817 k = 0.5000 0.2887 0.0131 ( 7484 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8376 -23.8376 -23.7027 -23.7027 0.3672 0.3672 0.5256 0.5256 4.7015 4.7015 6.4723 6.4723 6.8475 6.8475 6.9876 6.9876 7.3301 7.3301 8.1626 8.1626 8.3938 8.3938 10.2312 10.2312 10.3034 10.3034 10.3599 10.3599 10.3843 10.3843 k = 0.5000 0.2887-0.0000 ( 7484 PWs) bands (ev): -47.8455 -47.8455 -47.8297 -47.8297 -24.5561 -24.5561 -24.5409 -24.5409 -23.9687 -23.9687 -23.9462 -23.9462 -23.8377 -23.8377 -23.7025 -23.7025 0.3668 0.3668 0.5255 0.5255 4.7022 4.7022 6.4935 6.4935 6.8322 6.8322 6.9811 6.9811 7.3288 7.3288 8.1637 8.1637 8.3914 8.3914 10.2309 10.2309 10.3030 10.3030 10.3590 10.3590 10.3852 10.3852 k = 0.3333 0.5774-0.0000 ( 7479 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9704 -23.9704 -23.9473 -23.9473 -23.8376 -23.8376 -23.7026 -23.7026 0.6194 0.6194 0.6251 0.6251 5.0091 5.0091 5.8697 5.8697 6.1172 6.1172 7.0571 7.0571 7.1075 7.1075 7.7288 7.7288 9.5955 9.5955 10.1686 10.1686 10.2228 10.2228 10.6011 10.6011 10.6308 10.6309 k = 0.3333 0.5774 0.0131 ( 7479 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5567 -24.5567 -24.5420 -24.5420 -23.9703 -23.9703 -23.9474 -23.9474 -23.8375 -23.8375 -23.7027 -23.7027 0.6195 0.6195 0.6252 0.6252 5.0109 5.0109 5.8670 5.8670 6.1136 6.1136 7.0611 7.0611 7.1107 7.1107 7.7244 7.7244 9.5966 9.5966 10.1676 10.1676 10.2215 10.2215 10.6016 10.6016 10.6316 10.6324 k = 0.3333 0.5774 0.0261 ( 7482 PWs) bands (ev): -47.8454 -47.8454 -47.8296 -47.8296 -24.5566 -24.5566 -24.5420 -24.5420 -23.9703 -23.9703 -23.9474 -23.9474 -23.8371 -23.8371 -23.7031 -23.7031 0.6198 0.6198 0.6256 0.6256 5.0162 5.0162 5.8590 5.8590 6.1029 6.1029 7.0728 7.0728 7.1204 7.1204 7.7112 7.7112 9.6000 9.6000 10.1646 10.1646 10.2177 10.2177 10.6028 10.6028 10.6338 10.6338 k = 0.3333 0.5774 0.0392 ( 7476 PWs) bands (ev): -47.8453 -47.8453 -47.8297 -47.8297 -24.5565 -24.5565 -24.5421 -24.5421 -23.9702 -23.9702 -23.9475 -23.9475 -23.8365 -23.8365 -23.7038 -23.7038 0.6203 0.6203 0.6261 0.6261 5.0250 5.0250 5.8461 5.8461 6.0858 6.0858 7.0913 7.0913 7.1361 7.1361 7.6896 7.6896 9.6056 9.6056 10.1597 10.1597 10.2115 10.2115 10.6046 10.6046 10.6374 10.6374 k = 0.3333 0.5774 0.0522 ( 7476 PWs) bands (ev): -47.8452 -47.8452 -47.8298 -47.8298 -24.5564 -24.5564 -24.5421 -24.5421 -23.9700 -23.9700 -23.9477 -23.9477 -23.8356 -23.8356 -23.7048 -23.7048 0.6210 0.6210 0.6268 0.6268 5.0373 5.0373 5.8288 5.8288 6.0634 6.0634 7.1156 7.1156 7.1573 7.1573 7.6603 7.6603 9.6135 9.6135 10.1529 10.1529 10.2029 10.2029 10.6066 10.6066 10.6424 10.6424 k = 0.3333 0.5774 0.0653 ( 7488 PWs) bands (ev): -47.8450 -47.8450 -47.8299 -47.8299 -24.5562 -24.5562 -24.5422 -24.5422 -23.9698 -23.9698 -23.9479 -23.9479 -23.8345 -23.8345 -23.7061 -23.7061 0.6219 0.6219 0.6277 0.6277 5.0531 5.0531 5.8077 5.8077 6.0365 6.0365 7.1440 7.1440 7.1832 7.1832 7.6243 7.6243 9.6236 9.6236 10.1443 10.1443 10.1922 10.1922 10.6083 10.6083 10.6488 10.6492 k = 0.3333 0.5774 0.0784 ( 7473 PWs) bands (ev): -47.8449 -47.8449 -47.8301 -47.8301 -24.5560 -24.5560 -24.5423 -24.5423 -23.9695 -23.9695 -23.9481 -23.9481 -23.8332 -23.8332 -23.7076 -23.7076 0.6230 0.6230 0.6288 0.6288 5.0724 5.0724 5.7836 5.7836 6.0065 6.0065 7.1745 7.1745 7.2132 7.2132 7.5832 7.5832 9.6359 9.6359 10.1340 10.1340 10.1795 10.1795 10.6092 10.6092 10.6565 10.6565 k = 0.3333 0.5774 0.0914 ( 7476 PWs) bands (ev): -47.8447 -47.8447 -47.8303 -47.8303 -24.5557 -24.5557 -24.5424 -24.5424 -23.9693 -23.9693 -23.9484 -23.9484 -23.8316 -23.8316 -23.7094 -23.7094 0.6242 0.6242 0.6301 0.6301 5.0950 5.0950 5.7571 5.7571 5.9741 5.9741 7.2042 7.2042 7.2464 7.2464 7.5394 7.5394 9.6504 9.6504 10.1221 10.1221 10.1650 10.1650 10.6088 10.6088 10.6654 10.6655 k = 0.3333 0.5774 0.1045 ( 7494 PWs) bands (ev): -47.8444 -47.8444 -47.8305 -47.8305 -24.5554 -24.5554 -24.5425 -24.5425 -23.9689 -23.9689 -23.9488 -23.9488 -23.8298 -23.8298 -23.7114 -23.7114 0.6255 0.6255 0.6315 0.6315 5.1211 5.1211 5.7289 5.7289 5.9404 5.9404 7.2279 7.2279 7.2822 7.2822 7.4981 7.4981 9.6669 9.6669 10.1087 10.1087 10.1489 10.1489 10.6066 10.6066 10.6756 10.6758 k = 0.3333 0.5774 0.1175 ( 7488 PWs) bands (ev): -47.8442 -47.8442 -47.8308 -47.8308 -24.5551 -24.5551 -24.5427 -24.5427 -23.9686 -23.9686 -23.9491 -23.9491 -23.8278 -23.8278 -23.7137 -23.7137 0.6270 0.6270 0.6330 0.6330 5.1504 5.1504 5.6997 5.6997 5.9060 5.9060 7.2361 7.2361 7.3197 7.3197 7.4685 7.4685 9.6856 9.6856 10.0941 10.0941 10.1315 10.1315 10.6022 10.6022 10.6852 10.6858 k = 0.3333 0.5774 0.1306 ( 7500 PWs) bands (ev): -47.8439 -47.8439 -47.8311 -47.8311 -24.5547 -24.5547 -24.5428 -24.5428 -23.9682 -23.9682 -23.9495 -23.9495 -23.8255 -23.8255 -23.7162 -23.7162 0.6286 0.6286 0.6346 0.6346 5.1829 5.1829 5.6700 5.6700 5.8717 5.8717 7.2178 7.2178 7.3584 7.3584 7.4618 7.4618 9.7062 9.7062 10.0785 10.0785 10.1131 10.1131 10.5952 10.5952 10.6950 10.6955 k = 0.3333 0.5774 0.1437 ( 7497 PWs) bands (ev): -47.8436 -47.8436 -47.8314 -47.8314 -24.5543 -24.5543 -24.5430 -24.5430 -23.9677 -23.9677 -23.9500 -23.9500 -23.8231 -23.8231 -23.7190 -23.7190 0.6302 0.6302 0.6362 0.6362 5.2186 5.2186 5.6403 5.6403 5.8381 5.8381 7.1734 7.1734 7.3975 7.3975 7.4777 7.4777 9.7288 9.7288 10.0621 10.0621 10.0939 10.0939 10.5855 10.5855 10.7060 10.7060 k = 0.3333 0.5774 0.1567 ( 7506 PWs) bands (ev): -47.8433 -47.8433 -47.8317 -47.8317 -24.5539 -24.5539 -24.5432 -24.5432 -23.9672 -23.9672 -23.9505 -23.9505 -23.8204 -23.8204 -23.7219 -23.7219 0.6319 0.6319 0.6380 0.6380 5.2573 5.2573 5.6112 5.6112 5.8055 5.8055 7.1125 7.1125 7.4366 7.4366 7.5064 7.5064 9.7533 9.7533 10.0450 10.0450 10.0741 10.0741 10.5728 10.5728 10.7179 10.7184 k = 0.3333 0.5774 0.1698 ( 7506 PWs) bands (ev): -47.8429 -47.8429 -47.8321 -47.8321 -24.5534 -24.5534 -24.5434 -24.5434 -23.9667 -23.9667 -23.9510 -23.9510 -23.8176 -23.8176 -23.7250 -23.7250 0.6336 0.6336 0.6397 0.6397 5.2987 5.2987 5.5828 5.5828 5.7746 5.7746 7.0427 7.0427 7.4751 7.4751 7.5406 7.5406 9.7795 9.7795 10.0277 10.0277 10.0542 10.0542 10.5571 10.5571 10.7307 10.7307 k = 0.3333 0.5774 0.1828 ( 7506 PWs) bands (ev): -47.8425 -47.8425 -47.8324 -47.8324 -24.5530 -24.5530 -24.5437 -24.5437 -23.9662 -23.9662 -23.9515 -23.9515 -23.8145 -23.8145 -23.7284 -23.7284 0.6353 0.6353 0.6414 0.6414 5.3427 5.3427 5.5557 5.5557 5.7459 5.7459 6.9677 6.9677 7.5125 7.5125 7.5768 7.5768 9.8074 9.8074 10.0103 10.0103 10.0344 10.0344 10.5384 10.5384 10.7444 10.7445 k = 0.3333 0.5774 0.1959 ( 7518 PWs) bands (ev): -47.8421 -47.8421 -47.8328 -47.8328 -24.5525 -24.5525 -24.5439 -24.5439 -23.9656 -23.9656 -23.9521 -23.9521 -23.8113 -23.8113 -23.7319 -23.7319 0.6369 0.6369 0.6431 0.6431 5.3887 5.3887 5.5300 5.5300 5.7200 5.7200 6.8895 6.8895 7.5483 7.5483 7.6128 7.6128 9.8369 9.8369 9.9932 9.9932 10.0150 10.0150 10.5169 10.5169 10.7590 10.7590 k = 0.3333 0.5774 0.2090 ( 7485 PWs) bands (ev): -47.8417 -47.8417 -47.8332 -47.8332 -24.5520 -24.5520 -24.5442 -24.5442 -23.9650 -23.9650 -23.9527 -23.9527 -23.8079 -23.8079 -23.7355 -23.7355 0.6385 0.6385 0.6447 0.6447 5.4358 5.4358 5.5061 5.5061 5.6979 5.6979 6.8095 6.8095 7.5822 7.5822 7.6476 7.6476 9.8678 9.8678 9.9765 9.9765 9.9963 9.9963 10.4927 10.4927 10.7743 10.7743 k = 0.3333 0.5774 0.2220 ( 7479 PWs) bands (ev): -47.8413 -47.8413 -47.8337 -47.8337 -24.5515 -24.5515 -24.5445 -24.5445 -23.9644 -23.9644 -23.9533 -23.9533 -23.8044 -23.8044 -23.7393 -23.7393 0.6400 0.6400 0.6463 0.6463 5.4821 5.4821 5.4842 5.4842 5.6816 5.6816 6.7286 6.7286 7.6136 7.6136 7.6803 7.6803 9.8998 9.8998 9.9607 9.9607 9.9789 9.9789 10.4660 10.4660 10.7904 10.7908 k = 0.3333 0.5774 0.2351 ( 7470 PWs) bands (ev): -47.8409 -47.8409 -47.8341 -47.8341 -24.5510 -24.5510 -24.5448 -24.5448 -23.9638 -23.9638 -23.9539 -23.9539 -23.8007 -23.8007 -23.7432 -23.7432 0.6414 0.6414 0.6477 0.6477 5.4644 5.4644 5.5228 5.5228 5.6758 5.6758 6.6473 6.6473 7.6424 7.6424 7.7105 7.7105 9.9316 9.9316 9.9459 9.9459 9.9641 9.9641 10.4370 10.4370 10.8070 10.8070 k = 0.3333 0.5774 0.2481 ( 7467 PWs) bands (ev): -47.8404 -47.8404 -47.8346 -47.8346 -24.5505 -24.5505 -24.5452 -24.5452 -23.9631 -23.9631 -23.9546 -23.9546 -23.7970 -23.7970 -23.7472 -23.7472 0.6427 0.6427 0.6490 0.6490 5.4470 5.4470 5.5494 5.5494 5.6890 5.6890 6.5665 6.5665 7.6681 7.6681 7.7376 7.7376 9.9325 9.9325 9.9426 9.9426 9.9728 9.9728 10.4060 10.4060 10.8243 10.8243 k = 0.3333 0.5774 0.2612 ( 7467 PWs) bands (ev): -47.8399 -47.8399 -47.8350 -47.8350 -24.5500 -24.5500 -24.5455 -24.5455 -23.9624 -23.9624 -23.9553 -23.9553 -23.7931 -23.7931 -23.7513 -23.7513 0.6438 0.6438 0.6501 0.6501 5.4320 5.4320 5.5580 5.5580 5.7247 5.7247 6.4868 6.4868 7.6904 7.6904 7.7612 7.7612 9.9206 9.9206 9.9314 9.9314 10.0064 10.0064 10.3732 10.3732 10.8421 10.8421 k = 0.3333 0.5774 0.2743 ( 7470 PWs) bands (ev): -47.8395 -47.8395 -47.8355 -47.8355 -24.5495 -24.5495 -24.5459 -24.5459 -23.9617 -23.9617 -23.9560 -23.9560 -23.7891 -23.7891 -23.7554 -23.7554 0.6447 0.6447 0.6510 0.6510 5.4196 5.4196 5.5563 5.5563 5.7747 5.7747 6.4092 6.4092 7.7090 7.7090 7.7809 7.7809 9.9106 9.9106 9.9206 9.9206 10.0425 10.0425 10.3390 10.3390 10.8603 10.8603 k = 0.3333 0.5774 0.2873 ( 7470 PWs) bands (ev): -47.8390 -47.8390 -47.8360 -47.8360 -24.5491 -24.5491 -24.5463 -24.5463 -23.9610 -23.9610 -23.9567 -23.9567 -23.7850 -23.7850 -23.7596 -23.7596 0.6454 0.6454 0.6518 0.6518 5.4099 5.4099 5.5517 5.5517 5.8305 5.8305 6.3350 6.3350 7.7237 7.7237 7.7966 7.7966 9.9026 9.9026 9.9118 9.9118 10.0794 10.0794 10.3035 10.3035 10.8789 10.8789 k = 0.3333 0.5774 0.3004 ( 7470 PWs) bands (ev): -47.8385 -47.8385 -47.8365 -47.8365 -24.5486 -24.5486 -24.5467 -24.5467 -23.9603 -23.9603 -23.9574 -23.9574 -23.7808 -23.7808 -23.7639 -23.7639 0.6460 0.6460 0.6523 0.6523 5.4029 5.4029 5.5471 5.5471 5.8862 5.8862 6.2672 6.2672 7.7344 7.7344 7.8080 7.8080 9.8967 9.8967 9.9054 9.9054 10.1168 10.1168 10.2672 10.2672 10.8978 10.8978 k = 0.3333 0.5774 0.3134 ( 7458 PWs) bands (ev): -47.8380 -47.8380 -47.8370 -47.8370 -24.5481 -24.5481 -24.5471 -24.5471 -23.9596 -23.9596 -23.9581 -23.9581 -23.7766 -23.7766 -23.7681 -23.7681 0.6463 0.6463 0.6527 0.6527 5.3987 5.3987 5.5441 5.5441 5.9331 5.9331 6.2133 6.2133 7.7409 7.7409 7.8149 7.8149 9.8932 9.8932 9.9014 9.9014 10.1545 10.1545 10.2301 10.2301 10.9169 10.9169 k = 0.3333 0.5774 0.3265 ( 7458 PWs) bands (ev): -47.8375 -47.8375 -47.8375 -47.8375 -24.5478 -24.5478 -24.5475 -24.5475 -23.9591 -23.9591 -23.9586 -23.9586 -23.7724 -23.7724 -23.7723 -23.7723 0.6464 0.6464 0.6528 0.6528 5.3972 5.3972 5.5430 5.5430 5.9537 5.9537 6.1905 6.1905 7.7430 7.7430 7.8172 7.8172 9.8920 9.8920 9.9001 9.9001 10.1887 10.1887 10.1961 10.1961 10.9323 10.9324 Writing output data file TiSb.save init_run : 0.14s CPU 0.29s WALL ( 1 calls) electrons : 288.46s CPU 292.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 288.45s CPU 292.25s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 330 calls) cegterg : 275.74s CPU 278.83s WALL ( 842 calls) Called by sum_band: Called by *egterg: h_psi : 156.36s CPU 158.52s WALL ( 15220 calls) s_psi : 7.32s CPU 7.35s WALL ( 15220 calls) g_psi : 0.64s CPU 0.71s WALL ( 14048 calls) cdiaghg : 79.57s CPU 80.93s WALL ( 14378 calls) cegterg:over : 13.36s CPU 13.48s WALL ( 14048 calls) cegterg:upda : 14.46s CPU 14.45s WALL ( 14048 calls) cegterg:last : 6.31s CPU 6.31s WALL ( 2326 calls) cdiaghg:chol : 4.54s CPU 4.70s WALL ( 14378 calls) cdiaghg:inve : 2.57s CPU 2.67s WALL ( 14378 calls) cdiaghg:para : 4.62s CPU 4.58s WALL ( 28756 calls) Called by h_psi: h_psi:vloc : 134.05s CPU 136.04s WALL ( 15220 calls) h_psi:vnl : 21.70s CPU 21.85s WALL ( 15220 calls) add_vuspsi : 11.42s CPU 11.46s WALL ( 15220 calls) General routines calbec : 10.25s CPU 10.35s WALL ( 15220 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 127.09s CPU 129.19s WALL ( 1190076 calls) davcio : 0.22s CPU 0.32s WALL ( 660 calls) Parallel routines fft_scatter : 42.59s CPU 43.66s WALL ( 1190091 calls) PWSCF : 5m 6.66s CPU 5m42.05s WALL This run was terminated on: 21:18:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=