Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:59:49 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: ./SbIr.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 35 24 7 1369 817 129 Max 36 25 8 1375 831 136 Sum 1261 889 253 49403 29595 4707 bravais-lattice index = 14 lattice parameter (alat) = 7.5173 a.u. unit-cell volume = 510.5925 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.517330 celldm(2)= 1.000000 celldm(3)= 1.387883 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 1.387883 ) 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 0.720522 ) 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 Ir read from file: /users/gautes/Pseudo/Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd4c837ca97213b67411386bdf0d9b77 Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ir 17.00 192.21700 Ir( 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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 ) ( -0.6939417 ) 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= 348 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0028736 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0028736 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0028736 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0028736 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0028736 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0028736 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0028736 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0028736 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0028736 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0028736 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0028736 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0028736 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0028736 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0028736 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0028736 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0028736 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0028736 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028736 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0028736 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0028736 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0028736 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0028736 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0028736 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0028736 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0028736 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0028736 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0028736 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0028736 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0028736 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0028736 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0028736 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0028736 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0028736 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0028736 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0028736 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0028736 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0028736 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0028736 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0028736 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028736 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0028736 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0028736 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0028736 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0028736 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0028736 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0028736 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0028736 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028736 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0028736 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0028736 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0028736 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0028736 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0028736 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0028736 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0028736 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0028736 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0028736 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0028736 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0028736 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0028736 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0028736 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0028736 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0028736 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0028736 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0028736 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0028736 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0028736 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0028736 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0028736 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0028736 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0028736 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0028736 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0028736 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0028736 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0028736 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0028736 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0028736 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0028736 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0028736 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0028736 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0028736 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0028736 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0028736 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0028736 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0028736 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0028736 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0028736 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0028736 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0028736 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0028736 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0028736 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0028736 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0028736 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0028736 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0028736 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0028736 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0028736 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0028736 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0028736 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0028736 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0028736 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0028736 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0028736 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0124228), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0248456), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0372684), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0496911), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0621139), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.0745367), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.0869595), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.0993823), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1118051), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1242279), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1366507), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.1490734), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.1614962), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.1739190), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.1863418), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.1987646), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2111874), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.2236102), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.2360330), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.2484557), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.2608785), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.2733013), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.2857241), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.2981469), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.3105697), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.3229925), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.3354152), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.3478380), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.3602608), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.3602608), wk = 0.0028736 k( 161) = ( 0.0108696 0.0062755 0.3602608), wk = 0.0028736 k( 162) = ( 0.0217391 0.0125511 0.3602608), wk = 0.0028736 k( 163) = ( 0.0326087 0.0188266 0.3602608), wk = 0.0028736 k( 164) = ( 0.0434783 0.0251022 0.3602608), wk = 0.0028736 k( 165) = ( 0.0543478 0.0313777 0.3602608), wk = 0.0028736 k( 166) = ( 0.0652174 0.0376533 0.3602608), wk = 0.0028736 k( 167) = ( 0.0760870 0.0439288 0.3602608), wk = 0.0028736 k( 168) = ( 0.0869565 0.0502044 0.3602608), wk = 0.0028736 k( 169) = ( 0.0978261 0.0564799 0.3602608), wk = 0.0028736 k( 170) = ( 0.1086957 0.0627555 0.3602608), wk = 0.0028736 k( 171) = ( 0.1195652 0.0690310 0.3602608), wk = 0.0028736 k( 172) = ( 0.1304348 0.0753066 0.3602608), wk = 0.0028736 k( 173) = ( 0.1413043 0.0815821 0.3602608), wk = 0.0028736 k( 174) = ( 0.1521739 0.0878576 0.3602608), wk = 0.0028736 k( 175) = ( 0.1630435 0.0941332 0.3602608), wk = 0.0028736 k( 176) = ( 0.1739130 0.1004087 0.3602608), wk = 0.0028736 k( 177) = ( 0.1847826 0.1066843 0.3602608), wk = 0.0028736 k( 178) = ( 0.1956522 0.1129598 0.3602608), wk = 0.0028736 k( 179) = ( 0.2065217 0.1192354 0.3602608), wk = 0.0028736 k( 180) = ( 0.2173913 0.1255109 0.3602608), wk = 0.0028736 k( 181) = ( 0.2282609 0.1317865 0.3602608), wk = 0.0028736 k( 182) = ( 0.2391304 0.1380620 0.3602608), wk = 0.0028736 k( 183) = ( 0.2500000 0.1443376 0.3602608), wk = 0.0028736 k( 184) = ( 0.2608696 0.1506131 0.3602608), wk = 0.0028736 k( 185) = ( 0.2717391 0.1568887 0.3602608), wk = 0.0028736 k( 186) = ( 0.2826087 0.1631642 0.3602608), wk = 0.0028736 k( 187) = ( 0.2934783 0.1694398 0.3602608), wk = 0.0028736 k( 188) = ( 0.3043478 0.1757153 0.3602608), wk = 0.0028736 k( 189) = ( 0.3152174 0.1819908 0.3602608), wk = 0.0028736 k( 190) = ( 0.3260870 0.1882664 0.3602608), wk = 0.0028736 k( 191) = ( 0.3369565 0.1945419 0.3602608), wk = 0.0028736 k( 192) = ( 0.3478261 0.2008175 0.3602608), wk = 0.0028736 k( 193) = ( 0.3586956 0.2070930 0.3602608), wk = 0.0028736 k( 194) = ( 0.3695652 0.2133686 0.3602608), wk = 0.0028736 k( 195) = ( 0.3804348 0.2196441 0.3602608), wk = 0.0028736 k( 196) = ( 0.3913044 0.2259197 0.3602608), wk = 0.0028736 k( 197) = ( 0.4021739 0.2321952 0.3602608), wk = 0.0028736 k( 198) = ( 0.4130435 0.2384708 0.3602608), wk = 0.0028736 k( 199) = ( 0.4239130 0.2447463 0.3602608), wk = 0.0028736 k( 200) = ( 0.4347826 0.2510219 0.3602608), wk = 0.0028736 k( 201) = ( 0.4456522 0.2572974 0.3602608), wk = 0.0028736 k( 202) = ( 0.4565217 0.2635729 0.3602608), wk = 0.0028736 k( 203) = ( 0.4673913 0.2698485 0.3602608), wk = 0.0028736 k( 204) = ( 0.4782609 0.2761240 0.3602608), wk = 0.0028736 k( 205) = ( 0.4891304 0.2823996 0.3602608), wk = 0.0028736 k( 206) = ( 0.5000000 0.2886751 0.3602608), wk = 0.0028736 k( 207) = ( 0.5000000 0.2886751 0.3602608), wk = 0.0028736 k( 208) = ( 0.4938272 0.2993668 0.3602608), wk = 0.0028736 k( 209) = ( 0.4876543 0.3100585 0.3602608), wk = 0.0028736 k( 210) = ( 0.4814815 0.3207502 0.3602608), wk = 0.0028736 k( 211) = ( 0.4753086 0.3314418 0.3602608), wk = 0.0028736 k( 212) = ( 0.4691358 0.3421335 0.3602608), wk = 0.0028736 k( 213) = ( 0.4629630 0.3528252 0.3602608), wk = 0.0028736 k( 214) = ( 0.4567901 0.3635168 0.3602608), wk = 0.0028736 k( 215) = ( 0.4506173 0.3742085 0.3602608), wk = 0.0028736 k( 216) = ( 0.4444444 0.3849002 0.3602608), wk = 0.0028736 k( 217) = ( 0.4382716 0.3955918 0.3602608), wk = 0.0028736 k( 218) = ( 0.4320988 0.4062835 0.3602608), wk = 0.0028736 k( 219) = ( 0.4259259 0.4169752 0.3602608), wk = 0.0028736 k( 220) = ( 0.4197531 0.4276669 0.3602608), wk = 0.0028736 k( 221) = ( 0.4135802 0.4383585 0.3602608), wk = 0.0028736 k( 222) = ( 0.4074074 0.4490502 0.3602608), wk = 0.0028736 k( 223) = ( 0.4012346 0.4597419 0.3602608), wk = 0.0028736 k( 224) = ( 0.3950617 0.4704335 0.3602608), wk = 0.0028736 k( 225) = ( 0.3888889 0.4811252 0.3602608), wk = 0.0028736 k( 226) = ( 0.3827160 0.4918169 0.3602608), wk = 0.0028736 k( 227) = ( 0.3765432 0.5025086 0.3602608), wk = 0.0028736 k( 228) = ( 0.3703704 0.5132002 0.3602608), wk = 0.0028736 k( 229) = ( 0.3641975 0.5238919 0.3602608), wk = 0.0028736 k( 230) = ( 0.3580247 0.5345836 0.3602608), wk = 0.0028736 k( 231) = ( 0.3518519 0.5452753 0.3602608), wk = 0.0028736 k( 232) = ( 0.3456790 0.5559669 0.3602608), wk = 0.0028736 k( 233) = ( 0.3395062 0.5666586 0.3602608), wk = 0.0028736 k( 234) = ( 0.3333333 0.5773503 0.3602608), wk = 0.0028736 k( 235) = ( 0.3333333 0.5773503 0.3602608), wk = 0.0028736 k( 236) = ( 0.3270440 0.5664569 0.3602608), wk = 0.0028736 k( 237) = ( 0.3207547 0.5555635 0.3602608), wk = 0.0028736 k( 238) = ( 0.3144654 0.5446701 0.3602608), wk = 0.0028736 k( 239) = ( 0.3081761 0.5337767 0.3602608), wk = 0.0028736 k( 240) = ( 0.3018868 0.5228833 0.3602608), wk = 0.0028736 k( 241) = ( 0.2955975 0.5119899 0.3602608), wk = 0.0028736 k( 242) = ( 0.2893082 0.5010965 0.3602608), wk = 0.0028736 k( 243) = ( 0.2830189 0.4902031 0.3602608), wk = 0.0028736 k( 244) = ( 0.2767296 0.4793097 0.3602608), wk = 0.0028736 k( 245) = ( 0.2704402 0.4684163 0.3602608), wk = 0.0028736 k( 246) = ( 0.2641509 0.4575228 0.3602608), wk = 0.0028736 k( 247) = ( 0.2578616 0.4466295 0.3602608), wk = 0.0028736 k( 248) = ( 0.2515723 0.4357361 0.3602608), wk = 0.0028736 k( 249) = ( 0.2452830 0.4248427 0.3602608), wk = 0.0028736 k( 250) = ( 0.2389937 0.4139492 0.3602608), wk = 0.0028736 k( 251) = ( 0.2327044 0.4030558 0.3602608), wk = 0.0028736 k( 252) = ( 0.2264151 0.3921624 0.3602608), wk = 0.0028736 k( 253) = ( 0.2201258 0.3812691 0.3602608), wk = 0.0028736 k( 254) = ( 0.2138365 0.3703756 0.3602608), wk = 0.0028736 k( 255) = ( 0.2075472 0.3594822 0.3602608), wk = 0.0028736 k( 256) = ( 0.2012579 0.3485888 0.3602608), wk = 0.0028736 k( 257) = ( 0.1949685 0.3376954 0.3602608), wk = 0.0028736 k( 258) = ( 0.1886792 0.3268020 0.3602608), wk = 0.0028736 k( 259) = ( 0.1823899 0.3159086 0.3602608), wk = 0.0028736 k( 260) = ( 0.1761006 0.3050152 0.3602608), wk = 0.0028736 k( 261) = ( 0.1698113 0.2941218 0.3602608), wk = 0.0028736 k( 262) = ( 0.1635220 0.2832284 0.3602608), wk = 0.0028736 k( 263) = ( 0.1572327 0.2723350 0.3602608), wk = 0.0028736 k( 264) = ( 0.1509434 0.2614416 0.3602608), wk = 0.0028736 k( 265) = ( 0.1446541 0.2505482 0.3602608), wk = 0.0028736 k( 266) = ( 0.1383648 0.2396548 0.3602608), wk = 0.0028736 k( 267) = ( 0.1320755 0.2287614 0.3602608), wk = 0.0028736 k( 268) = ( 0.1257862 0.2178680 0.3602608), wk = 0.0028736 k( 269) = ( 0.1194969 0.2069746 0.3602608), wk = 0.0028736 k( 270) = ( 0.1132076 0.1960812 0.3602608), wk = 0.0028736 k( 271) = ( 0.1069182 0.1851878 0.3602608), wk = 0.0028736 k( 272) = ( 0.1006289 0.1742944 0.3602608), wk = 0.0028736 k( 273) = ( 0.0943396 0.1634010 0.3602608), wk = 0.0028736 k( 274) = ( 0.0880503 0.1525076 0.3602608), wk = 0.0028736 k( 275) = ( 0.0817610 0.1416142 0.3602608), wk = 0.0028736 k( 276) = ( 0.0754717 0.1307208 0.3602608), wk = 0.0028736 k( 277) = ( 0.0691824 0.1198274 0.3602608), wk = 0.0028736 k( 278) = ( 0.0628931 0.1089340 0.3602608), wk = 0.0028736 k( 279) = ( 0.0566038 0.0980406 0.3602608), wk = 0.0028736 k( 280) = ( 0.0503145 0.0871472 0.3602608), wk = 0.0028736 k( 281) = ( 0.0440252 0.0762538 0.3602608), wk = 0.0028736 k( 282) = ( 0.0377359 0.0653604 0.3602608), wk = 0.0028736 k( 283) = ( 0.0314465 0.0544670 0.3602608), wk = 0.0028736 k( 284) = ( 0.0251572 0.0435736 0.3602608), wk = 0.0028736 k( 285) = ( 0.0188679 0.0326802 0.3602608), wk = 0.0028736 k( 286) = ( 0.0125786 0.0217868 0.3602608), wk = 0.0028736 k( 287) = ( 0.0062893 0.0108934 0.3602608), wk = 0.0028736 k( 288) = ( 0.0000000 0.0000000 0.3602608), wk = 0.0028736 k( 289) = ( 0.5000000 0.2886751 0.3602608), wk = 0.0028736 k( 290) = ( 0.5000000 0.2886751 0.3478380), wk = 0.0028736 k( 291) = ( 0.5000000 0.2886751 0.3354152), wk = 0.0028736 k( 292) = ( 0.5000000 0.2886751 0.3229925), wk = 0.0028736 k( 293) = ( 0.5000000 0.2886751 0.3105697), wk = 0.0028736 k( 294) = ( 0.5000000 0.2886751 0.2981469), wk = 0.0028736 k( 295) = ( 0.5000000 0.2886751 0.2857241), wk = 0.0028736 k( 296) = ( 0.5000000 0.2886751 0.2733013), wk = 0.0028736 k( 297) = ( 0.5000000 0.2886751 0.2608785), wk = 0.0028736 k( 298) = ( 0.5000000 0.2886751 0.2484557), wk = 0.0028736 k( 299) = ( 0.5000000 0.2886751 0.2360330), wk = 0.0028736 k( 300) = ( 0.5000000 0.2886751 0.2236102), wk = 0.0028736 k( 301) = ( 0.5000000 0.2886751 0.2111874), wk = 0.0028736 k( 302) = ( 0.5000000 0.2886751 0.1987646), wk = 0.0028736 k( 303) = ( 0.5000000 0.2886751 0.1863418), wk = 0.0028736 k( 304) = ( 0.5000000 0.2886751 0.1739190), wk = 0.0028736 k( 305) = ( 0.5000000 0.2886751 0.1614962), wk = 0.0028736 k( 306) = ( 0.5000000 0.2886751 0.1490734), wk = 0.0028736 k( 307) = ( 0.5000000 0.2886751 0.1366507), wk = 0.0028736 k( 308) = ( 0.5000000 0.2886751 0.1242279), wk = 0.0028736 k( 309) = ( 0.5000000 0.2886751 0.1118051), wk = 0.0028736 k( 310) = ( 0.5000000 0.2886751 0.0993823), wk = 0.0028736 k( 311) = ( 0.5000000 0.2886751 0.0869595), wk = 0.0028736 k( 312) = ( 0.5000000 0.2886751 0.0745367), wk = 0.0028736 k( 313) = ( 0.5000000 0.2886751 0.0621139), wk = 0.0028736 k( 314) = ( 0.5000000 0.2886751 0.0496911), wk = 0.0028736 k( 315) = ( 0.5000000 0.2886751 0.0372684), wk = 0.0028736 k( 316) = ( 0.5000000 0.2886751 0.0248456), wk = 0.0028736 k( 317) = ( 0.5000000 0.2886751 0.0124228), wk = 0.0028736 k( 318) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028736 k( 319) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028736 k( 320) = ( 0.3333333 0.5773503 0.0124228), wk = 0.0028736 k( 321) = ( 0.3333333 0.5773503 0.0248456), wk = 0.0028736 k( 322) = ( 0.3333333 0.5773503 0.0372684), wk = 0.0028736 k( 323) = ( 0.3333333 0.5773503 0.0496911), wk = 0.0028736 k( 324) = ( 0.3333333 0.5773503 0.0621139), wk = 0.0028736 k( 325) = ( 0.3333333 0.5773503 0.0745367), wk = 0.0028736 k( 326) = ( 0.3333333 0.5773503 0.0869595), wk = 0.0028736 k( 327) = ( 0.3333333 0.5773503 0.0993823), wk = 0.0028736 k( 328) = ( 0.3333333 0.5773503 0.1118051), wk = 0.0028736 k( 329) = ( 0.3333333 0.5773503 0.1242279), wk = 0.0028736 k( 330) = ( 0.3333333 0.5773503 0.1366507), wk = 0.0028736 k( 331) = ( 0.3333333 0.5773503 0.1490734), wk = 0.0028736 k( 332) = ( 0.3333333 0.5773503 0.1614962), wk = 0.0028736 k( 333) = ( 0.3333333 0.5773503 0.1739190), wk = 0.0028736 k( 334) = ( 0.3333333 0.5773503 0.1863418), wk = 0.0028736 k( 335) = ( 0.3333333 0.5773503 0.1987646), wk = 0.0028736 k( 336) = ( 0.3333333 0.5773503 0.2111874), wk = 0.0028736 k( 337) = ( 0.3333333 0.5773503 0.2236102), wk = 0.0028736 k( 338) = ( 0.3333333 0.5773503 0.2360330), wk = 0.0028736 k( 339) = ( 0.3333333 0.5773503 0.2484557), wk = 0.0028736 k( 340) = ( 0.3333333 0.5773503 0.2608785), wk = 0.0028736 k( 341) = ( 0.3333333 0.5773503 0.2733013), wk = 0.0028736 k( 342) = ( 0.3333333 0.5773503 0.2857241), wk = 0.0028736 k( 343) = ( 0.3333333 0.5773503 0.2981469), wk = 0.0028736 k( 344) = ( 0.3333333 0.5773503 0.3105697), wk = 0.0028736 k( 345) = ( 0.3333333 0.5773503 0.3229925), wk = 0.0028736 k( 346) = ( 0.3333333 0.5773503 0.3354152), wk = 0.0028736 k( 347) = ( 0.3333333 0.5773503 0.3478380), wk = 0.0028736 k( 348) = ( 0.3333333 0.5773503 0.3602608), wk = 0.0028736 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0028736 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0028736 k( 4) = ( 0.0326087 0.0000000 -0.0000000), wk = 0.0028736 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0028736 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0028736 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0028736 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0028736 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0028736 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0028736 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0028736 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0028736 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0028736 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0028736 k( 15) = ( 0.1521739 0.0000000 -0.0000000), wk = 0.0028736 k( 16) = ( 0.1630435 0.0000000 -0.0000000), wk = 0.0028736 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0028736 k( 18) = ( 0.1847826 0.0000000 -0.0000000), wk = 0.0028736 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0028736 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0028736 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0028736 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0028736 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0028736 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028736 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0028736 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0028736 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0028736 k( 28) = ( 0.2934783 -0.0000000 0.0000000), wk = 0.0028736 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0028736 k( 30) = ( 0.3152174 0.0000000 -0.0000000), wk = 0.0028736 k( 31) = ( 0.3260870 0.0000000 -0.0000000), wk = 0.0028736 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0028736 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0028736 k( 34) = ( 0.3586956 0.0000000 -0.0000000), wk = 0.0028736 k( 35) = ( 0.3695652 0.0000000 -0.0000000), wk = 0.0028736 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0028736 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0028736 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0028736 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0028736 k( 40) = ( 0.4239130 0.0000000 -0.0000000), wk = 0.0028736 k( 41) = ( 0.4347826 0.0000000 -0.0000000), wk = 0.0028736 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0028736 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0028736 k( 44) = ( 0.4673913 0.0000000 -0.0000000), wk = 0.0028736 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0028736 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0028736 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 49) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0028736 k( 50) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0028736 k( 51) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0028736 k( 52) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0028736 k( 53) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0028736 k( 54) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0028736 k( 55) = ( 0.4567901 0.0864198 -0.0000000), wk = 0.0028736 k( 56) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0028736 k( 57) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0028736 k( 58) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0028736 k( 59) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0028736 k( 60) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0028736 k( 61) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0028736 k( 62) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0028736 k( 63) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0028736 k( 64) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0028736 k( 65) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0028736 k( 66) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0028736 k( 67) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0028736 k( 68) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0028736 k( 69) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0028736 k( 70) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0028736 k( 71) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0028736 k( 72) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0028736 k( 73) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0028736 k( 74) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0028736 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 77) = ( 0.3270440 0.3270440 0.0000000), wk = 0.0028736 k( 78) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0028736 k( 79) = ( 0.3144654 0.3144654 0.0000000), wk = 0.0028736 k( 80) = ( 0.3081761 0.3081761 0.0000000), wk = 0.0028736 k( 81) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0028736 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0028736 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0028736 k( 84) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0028736 k( 85) = ( 0.2767296 0.2767296 0.0000000), wk = 0.0028736 k( 86) = ( 0.2704402 0.2704403 0.0000000), wk = 0.0028736 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0028736 k( 88) = ( 0.2578616 0.2578616 0.0000000), wk = 0.0028736 k( 89) = ( 0.2515723 0.2515723 -0.0000000), wk = 0.0028736 k( 90) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0028736 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0028736 k( 92) = ( 0.2327044 0.2327044 0.0000000), wk = 0.0028736 k( 93) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0028736 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0028736 k( 95) = ( 0.2138365 0.2138365 0.0000000), wk = 0.0028736 k( 96) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0028736 k( 97) = ( 0.2012579 0.2012579 0.0000000), wk = 0.0028736 k( 98) = ( 0.1949685 0.1949686 0.0000000), wk = 0.0028736 k( 99) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0028736 k( 100) = ( 0.1823899 0.1823899 0.0000000), wk = 0.0028736 k( 101) = ( 0.1761006 0.1761006 0.0000000), wk = 0.0028736 k( 102) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0028736 k( 103) = ( 0.1635220 0.1635220 0.0000000), wk = 0.0028736 k( 104) = ( 0.1572327 0.1572327 -0.0000000), wk = 0.0028736 k( 105) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0028736 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0028736 k( 107) = ( 0.1383648 0.1383648 0.0000000), wk = 0.0028736 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0028736 k( 109) = ( 0.1257862 0.1257862 0.0000000), wk = 0.0028736 k( 110) = ( 0.1194969 0.1194969 -0.0000000), wk = 0.0028736 k( 111) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0028736 k( 112) = ( 0.1069182 0.1069182 0.0000000), wk = 0.0028736 k( 113) = ( 0.1006289 0.1006289 0.0000000), wk = 0.0028736 k( 114) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0028736 k( 115) = ( 0.0880503 0.0880503 0.0000000), wk = 0.0028736 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0028736 k( 117) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0028736 k( 118) = ( 0.0691824 0.0691824 0.0000000), wk = 0.0028736 k( 119) = ( 0.0628931 0.0628931 0.0000000), wk = 0.0028736 k( 120) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0028736 k( 121) = ( 0.0503145 0.0503145 0.0000000), wk = 0.0028736 k( 122) = ( 0.0440252 0.0440252 0.0000000), wk = 0.0028736 k( 123) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0028736 k( 124) = ( 0.0314465 0.0314465 0.0000000), wk = 0.0028736 k( 125) = ( 0.0251572 0.0251572 -0.0000000), wk = 0.0028736 k( 126) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0028736 k( 127) = ( 0.0125786 0.0125786 0.0000000), wk = 0.0028736 k( 128) = ( 0.0062893 0.0062893 0.0000000), wk = 0.0028736 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028736 k( 131) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0028736 k( 132) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0028736 k( 133) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0028736 k( 134) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0028736 k( 135) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0028736 k( 136) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0028736 k( 137) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0028736 k( 138) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0028736 k( 139) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0028736 k( 140) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0028736 k( 141) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0028736 k( 142) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0028736 k( 143) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0028736 k( 144) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0028736 k( 145) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0028736 k( 146) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0028736 k( 147) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0028736 k( 148) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0028736 k( 149) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0028736 k( 150) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0028736 k( 151) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0028736 k( 152) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0028736 k( 153) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0028736 k( 154) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0028736 k( 155) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0028736 k( 156) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0028736 k( 157) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0028736 k( 158) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0028736 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 161) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0028736 k( 162) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0028736 k( 163) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0028736 k( 164) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0028736 k( 165) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0028736 k( 166) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0028736 k( 167) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0028736 k( 168) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0028736 k( 169) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0028736 k( 170) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0028736 k( 171) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0028736 k( 172) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0028736 k( 173) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0028736 k( 174) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0028736 k( 175) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0028736 k( 176) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0028736 k( 177) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0028736 k( 178) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0028736 k( 179) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0028736 k( 180) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0028736 k( 181) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0028736 k( 182) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0028736 k( 183) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028736 k( 184) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0028736 k( 185) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0028736 k( 186) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0028736 k( 187) = ( 0.2934783 -0.0000000 0.5000000), wk = 0.0028736 k( 188) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0028736 k( 189) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0028736 k( 190) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0028736 k( 191) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0028736 k( 192) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0028736 k( 193) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0028736 k( 194) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0028736 k( 195) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0028736 k( 196) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0028736 k( 197) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0028736 k( 198) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0028736 k( 199) = ( 0.4239130 0.0000000 0.5000000), wk = 0.0028736 k( 200) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0028736 k( 201) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0028736 k( 202) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0028736 k( 203) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0028736 k( 204) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0028736 k( 205) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0028736 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 208) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0028736 k( 209) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0028736 k( 210) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0028736 k( 211) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0028736 k( 212) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0028736 k( 213) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0028736 k( 214) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0028736 k( 215) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0028736 k( 216) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028736 k( 217) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0028736 k( 218) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0028736 k( 219) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0028736 k( 220) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0028736 k( 221) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0028736 k( 222) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0028736 k( 223) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0028736 k( 224) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0028736 k( 225) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028736 k( 226) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0028736 k( 227) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0028736 k( 228) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0028736 k( 229) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0028736 k( 230) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0028736 k( 231) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0028736 k( 232) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0028736 k( 233) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0028736 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 k( 236) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0028736 k( 237) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0028736 k( 238) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0028736 k( 239) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0028736 k( 240) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0028736 k( 241) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0028736 k( 242) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0028736 k( 243) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0028736 k( 244) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0028736 k( 245) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0028736 k( 246) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0028736 k( 247) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0028736 k( 248) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0028736 k( 249) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0028736 k( 250) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0028736 k( 251) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0028736 k( 252) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0028736 k( 253) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0028736 k( 254) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0028736 k( 255) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0028736 k( 256) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0028736 k( 257) = ( 0.1949685 0.1949686 0.5000000), wk = 0.0028736 k( 258) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0028736 k( 259) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0028736 k( 260) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0028736 k( 261) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0028736 k( 262) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0028736 k( 263) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0028736 k( 264) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0028736 k( 265) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0028736 k( 266) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0028736 k( 267) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0028736 k( 268) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0028736 k( 269) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0028736 k( 270) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0028736 k( 271) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0028736 k( 272) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0028736 k( 273) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0028736 k( 274) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0028736 k( 275) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0028736 k( 276) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0028736 k( 277) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0028736 k( 278) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0028736 k( 279) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0028736 k( 280) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0028736 k( 281) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0028736 k( 282) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0028736 k( 283) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0028736 k( 284) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0028736 k( 285) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0028736 k( 286) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0028736 k( 287) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0028736 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028736 k( 289) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028736 k( 290) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0028736 k( 291) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0028736 k( 292) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0028736 k( 293) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0028736 k( 294) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0028736 k( 295) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0028736 k( 296) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0028736 k( 297) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0028736 k( 298) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0028736 k( 299) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0028736 k( 300) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0028736 k( 301) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0028736 k( 302) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0028736 k( 303) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0028736 k( 304) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0028736 k( 305) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0028736 k( 306) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0028736 k( 307) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0028736 k( 308) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0028736 k( 309) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0028736 k( 310) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0028736 k( 311) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0028736 k( 312) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0028736 k( 313) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0028736 k( 314) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0028736 k( 315) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0028736 k( 316) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0028736 k( 317) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0028736 k( 318) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028736 k( 319) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028736 k( 320) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0028736 k( 321) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0028736 k( 322) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0028736 k( 323) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0028736 k( 324) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0028736 k( 325) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0028736 k( 326) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0028736 k( 327) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0028736 k( 328) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0028736 k( 329) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0028736 k( 330) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0028736 k( 331) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0028736 k( 332) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0028736 k( 333) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0028736 k( 334) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0028736 k( 335) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0028736 k( 336) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0028736 k( 337) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0028736 k( 338) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0028736 k( 339) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0028736 k( 340) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0028736 k( 341) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0028736 k( 342) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0028736 k( 343) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0028736 k( 344) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0028736 k( 345) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0028736 k( 346) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0028736 k( 347) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0028736 k( 348) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028736 Dense grid: 49403 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 29595 G-vectors FFT dimensions: ( 40, 40, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 232, 52) NL pseudopotentials 0.24 Mb ( 116, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1371) G-vector shells 0.01 Mb ( 703) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 232, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./SbIr.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.5 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.2 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 10.0 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.8 secs Computing kpt #: 24 total cpu time spent up to now is 11.1 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 11.9 secs Computing kpt #: 27 total cpu time spent up to now is 12.3 secs Computing kpt #: 28 total cpu time spent up to now is 12.7 secs Computing kpt #: 29 total cpu time spent up to now is 13.0 secs Computing kpt #: 30 total cpu time spent up to now is 13.4 secs Computing kpt #: 31 total cpu time spent up to now is 13.8 secs Computing kpt #: 32 total cpu time spent up to now is 14.2 secs Computing kpt #: 33 total cpu time spent up to now is 14.6 secs Computing kpt #: 34 total cpu time spent up to now is 14.9 secs Computing kpt #: 35 total cpu time spent up to now is 15.3 secs Computing kpt #: 36 total cpu time spent up to now is 15.7 secs Computing kpt #: 37 total cpu time spent up to now is 16.1 secs Computing kpt #: 38 total cpu time spent up to now is 16.5 secs Computing kpt #: 39 total cpu time spent up to now is 16.9 secs Computing kpt #: 40 total cpu time spent up to now is 17.4 secs Computing kpt #: 41 total cpu time spent up to now is 17.7 secs Computing kpt #: 42 total cpu time spent up to now is 18.1 secs Computing kpt #: 43 total cpu time spent up to now is 18.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.0 secs Computing kpt #: 45 total cpu time spent up to now is 19.5 secs Computing kpt #: 46 total cpu time spent up to now is 19.9 secs Computing kpt #: 47 total cpu time spent up to now is 20.4 secs Computing kpt #: 48 total cpu time spent up to now is 20.8 secs Computing kpt #: 49 total cpu time spent up to now is 21.2 secs Computing kpt #: 50 total cpu time spent up to now is 21.5 secs Computing kpt #: 51 total cpu time spent up to now is 21.9 secs Computing kpt #: 52 total cpu time spent up to now is 22.3 secs Computing kpt #: 53 total cpu time spent up to now is 22.6 secs Computing kpt #: 54 total cpu time spent up to now is 23.0 secs Computing kpt #: 55 total cpu time spent up to now is 23.3 secs Computing kpt #: 56 total cpu time spent up to now is 23.7 secs Computing kpt #: 57 total cpu time spent up to now is 24.0 secs Computing kpt #: 58 total cpu time spent up to now is 24.4 secs Computing kpt #: 59 total cpu time spent up to now is 24.7 secs Computing kpt #: 60 total cpu time spent up to now is 25.0 secs Computing kpt #: 61 total cpu time spent up to now is 25.4 secs Computing kpt #: 62 total cpu time spent up to now is 25.7 secs Computing kpt #: 63 total cpu time spent up to now is 26.1 secs Computing kpt #: 64 total cpu time spent up to now is 26.4 secs Computing kpt #: 65 total cpu time spent up to now is 26.8 secs Computing kpt #: 66 total cpu time spent up to now is 27.1 secs Computing kpt #: 67 total cpu time spent up to now is 27.4 secs Computing kpt #: 68 total cpu time spent up to now is 27.8 secs Computing kpt #: 69 total cpu time spent up to now is 28.1 secs Computing kpt #: 70 total cpu time spent up to now is 28.4 secs Computing kpt #: 71 total cpu time spent up to now is 28.7 secs Computing kpt #: 72 total cpu time spent up to now is 29.1 secs Computing kpt #: 73 total cpu time spent up to now is 29.4 secs Computing kpt #: 74 total cpu time spent up to now is 29.7 secs Computing kpt #: 75 total cpu time spent up to now is 30.0 secs Computing kpt #: 76 total cpu time spent up to now is 30.3 secs Computing kpt #: 77 total cpu time spent up to now is 30.6 secs Computing kpt #: 78 total cpu time spent up to now is 31.0 secs Computing kpt #: 79 total cpu time spent up to now is 31.3 secs Computing kpt #: 80 total cpu time spent up to now is 31.6 secs Computing kpt #: 81 total cpu time spent up to now is 31.9 secs Computing kpt #: 82 total cpu time spent up to now is 32.3 secs Computing kpt #: 83 total cpu time spent up to now is 32.6 secs Computing kpt #: 84 total cpu time spent up to now is 32.9 secs Computing kpt #: 85 total cpu time spent up to now is 33.2 secs Computing kpt #: 86 total cpu time spent up to now is 33.6 secs Computing kpt #: 87 total cpu time spent up to now is 33.9 secs Computing kpt #: 88 total cpu time spent up to now is 34.2 secs Computing kpt #: 89 total cpu time spent up to now is 34.5 secs Computing kpt #: 90 total cpu time spent up to now is 34.9 secs Computing kpt #: 91 total cpu time spent up to now is 35.2 secs Computing kpt #: 92 total cpu time spent up to now is 35.5 secs Computing kpt #: 93 total cpu time spent up to now is 35.9 secs Computing kpt #: 94 total cpu time spent up to now is 36.2 secs Computing kpt #: 95 total cpu time spent up to now is 36.5 secs Computing kpt #: 96 total cpu time spent up to now is 36.8 secs Computing kpt #: 97 total cpu time spent up to now is 37.2 secs Computing kpt #: 98 total cpu time spent up to now is 37.5 secs Computing kpt #: 99 total cpu time spent up to now is 37.9 secs Computing kpt #: 100 total cpu time spent up to now is 38.2 secs Computing kpt #: 101 total cpu time spent up to now is 38.7 secs Computing kpt #: 102 total cpu time spent up to now is 39.0 secs Computing kpt #: 103 total cpu time spent up to now is 39.4 secs Computing kpt #: 104 total cpu time spent up to now is 39.7 secs Computing kpt #: 105 total cpu time spent up to now is 40.1 secs Computing kpt #: 106 total cpu time spent up to now is 40.4 secs Computing kpt #: 107 total cpu time spent up to now is 40.7 secs Computing kpt #: 108 total cpu time spent up to now is 41.1 secs Computing kpt #: 109 total cpu time spent up to now is 41.4 secs Computing kpt #: 110 total cpu time spent up to now is 41.8 secs Computing kpt #: 111 total cpu time spent up to now is 42.1 secs Computing kpt #: 112 total cpu time spent up to now is 42.4 secs Computing kpt #: 113 total cpu time spent up to now is 42.8 secs Computing kpt #: 114 total cpu time spent up to now is 43.1 secs Computing kpt #: 115 total cpu time spent up to now is 43.5 secs Computing kpt #: 116 total cpu time spent up to now is 43.8 secs Computing kpt #: 117 total cpu time spent up to now is 44.2 secs Computing kpt #: 118 total cpu time spent up to now is 44.5 secs Computing kpt #: 119 total cpu time spent up to now is 44.9 secs Computing kpt #: 120 total cpu time spent up to now is 45.2 secs Computing kpt #: 121 total cpu time spent up to now is 45.6 secs Computing kpt #: 122 total cpu time spent up to now is 45.9 secs Computing kpt #: 123 total cpu time spent up to now is 46.3 secs Computing kpt #: 124 total cpu time spent up to now is 46.6 secs Computing kpt #: 125 total cpu time spent up to now is 47.0 secs Computing kpt #: 126 total cpu time spent up to now is 47.4 secs Computing kpt #: 127 total cpu time spent up to now is 47.7 secs Computing kpt #: 128 total cpu time spent up to now is 48.1 secs Computing kpt #: 129 total cpu time spent up to now is 48.5 secs Computing kpt #: 130 total cpu time spent up to now is 48.8 secs Computing kpt #: 131 total cpu time spent up to now is 49.1 secs Computing kpt #: 132 total cpu time spent up to now is 49.5 secs Computing kpt #: 133 total cpu time spent up to now is 49.8 secs Computing kpt #: 134 total cpu time spent up to now is 50.2 secs Computing kpt #: 135 total cpu time spent up to now is 50.5 secs Computing kpt #: 136 total cpu time spent up to now is 50.9 secs Computing kpt #: 137 total cpu time spent up to now is 51.2 secs Computing kpt #: 138 total cpu time spent up to now is 51.6 secs Computing kpt #: 139 total cpu time spent up to now is 51.9 secs Computing kpt #: 140 total cpu time spent up to now is 52.3 secs Computing kpt #: 141 total cpu time spent up to now is 52.7 secs Computing kpt #: 142 total cpu time spent up to now is 53.0 secs Computing kpt #: 143 total cpu time spent up to now is 53.4 secs Computing kpt #: 144 total cpu time spent up to now is 53.8 secs Computing kpt #: 145 total cpu time spent up to now is 54.2 secs Computing kpt #: 146 total cpu time spent up to now is 54.6 secs Computing kpt #: 147 total cpu time spent up to now is 55.0 secs Computing kpt #: 148 total cpu time spent up to now is 55.3 secs Computing kpt #: 149 total cpu time spent up to now is 55.7 secs Computing kpt #: 150 total cpu time spent up to now is 56.1 secs Computing kpt #: 151 total cpu time spent up to now is 56.4 secs Computing kpt #: 152 total cpu time spent up to now is 56.7 secs Computing kpt #: 153 total cpu time spent up to now is 57.1 secs Computing kpt #: 154 total cpu time spent up to now is 57.4 secs Computing kpt #: 155 total cpu time spent up to now is 57.7 secs Computing kpt #: 156 total cpu time spent up to now is 58.0 secs Computing kpt #: 157 total cpu time spent up to now is 58.3 secs Computing kpt #: 158 total cpu time spent up to now is 58.6 secs Computing kpt #: 159 total cpu time spent up to now is 58.9 secs Computing kpt #: 160 total cpu time spent up to now is 59.2 secs Computing kpt #: 161 total cpu time spent up to now is 59.5 secs Computing kpt #: 162 total cpu time spent up to now is 59.9 secs Computing kpt #: 163 total cpu time spent up to now is 60.2 secs Computing kpt #: 164 total cpu time spent up to now is 60.5 secs Computing kpt #: 165 total cpu time spent up to now is 60.8 secs Computing kpt #: 166 total cpu time spent up to now is 61.2 secs Computing kpt #: 167 total cpu time spent up to now is 61.5 secs Computing kpt #: 168 total cpu time spent up to now is 61.8 secs Computing kpt #: 169 total cpu time spent up to now is 62.1 secs Computing kpt #: 170 total cpu time spent up to now is 62.5 secs Computing kpt #: 171 total cpu time spent up to now is 62.8 secs Computing kpt #: 172 total cpu time spent up to now is 63.1 secs Computing kpt #: 173 total cpu time spent up to now is 63.4 secs Computing kpt #: 174 total cpu time spent up to now is 63.8 secs Computing kpt #: 175 total cpu time spent up to now is 64.1 secs Computing kpt #: 176 total cpu time spent up to now is 64.4 secs Computing kpt #: 177 total cpu time spent up to now is 64.8 secs Computing kpt #: 178 total cpu time spent up to now is 65.1 secs Computing kpt #: 179 total cpu time spent up to now is 65.4 secs Computing kpt #: 180 total cpu time spent up to now is 65.7 secs Computing kpt #: 181 total cpu time spent up to now is 66.1 secs Computing kpt #: 182 total cpu time spent up to now is 66.4 secs Computing kpt #: 183 total cpu time spent up to now is 66.7 secs Computing kpt #: 184 total cpu time spent up to now is 67.1 secs Computing kpt #: 185 total cpu time spent up to now is 67.4 secs Computing kpt #: 186 total cpu time spent up to now is 67.8 secs Computing kpt #: 187 total cpu time spent up to now is 68.1 secs Computing kpt #: 188 total cpu time spent up to now is 68.4 secs Computing kpt #: 189 total cpu time spent up to now is 68.8 secs Computing kpt #: 190 total cpu time spent up to now is 69.1 secs Computing kpt #: 191 total cpu time spent up to now is 69.4 secs Computing kpt #: 192 total cpu time spent up to now is 69.8 secs Computing kpt #: 193 total cpu time spent up to now is 70.1 secs Computing kpt #: 194 total cpu time spent up to now is 70.5 secs Computing kpt #: 195 total cpu time spent up to now is 70.9 secs Computing kpt #: 196 total cpu time spent up to now is 71.3 secs Computing kpt #: 197 total cpu time spent up to now is 71.8 secs Computing kpt #: 198 total cpu time spent up to now is 72.2 secs Computing kpt #: 199 total cpu time spent up to now is 72.5 secs Computing kpt #: 200 total cpu time spent up to now is 72.9 secs Computing kpt #: 201 total cpu time spent up to now is 73.2 secs Computing kpt #: 202 total cpu time spent up to now is 73.6 secs Computing kpt #: 203 total cpu time spent up to now is 73.9 secs Computing kpt #: 204 total cpu time spent up to now is 74.3 secs Computing kpt #: 205 total cpu time spent up to now is 74.6 secs Computing kpt #: 206 total cpu time spent up to now is 75.0 secs Computing kpt #: 207 total cpu time spent up to now is 75.3 secs Computing kpt #: 208 total cpu time spent up to now is 75.7 secs Computing kpt #: 209 total cpu time spent up to now is 76.0 secs Computing kpt #: 210 total cpu time spent up to now is 76.4 secs Computing kpt #: 211 total cpu time spent up to now is 76.7 secs Computing kpt #: 212 total cpu time spent up to now is 77.1 secs Computing kpt #: 213 total cpu time spent up to now is 77.4 secs Computing kpt #: 214 total cpu time spent up to now is 77.8 secs Computing kpt #: 215 total cpu time spent up to now is 78.1 secs Computing kpt #: 216 total cpu time spent up to now is 78.5 secs Computing kpt #: 217 total cpu time spent up to now is 78.8 secs Computing kpt #: 218 total cpu time spent up to now is 79.2 secs Computing kpt #: 219 total cpu time spent up to now is 79.5 secs Computing kpt #: 220 total cpu time spent up to now is 79.9 secs Computing kpt #: 221 total cpu time spent up to now is 80.2 secs Computing kpt #: 222 total cpu time spent up to now is 80.6 secs Computing kpt #: 223 total cpu time spent up to now is 80.9 secs Computing kpt #: 224 total cpu time spent up to now is 81.3 secs Computing kpt #: 225 total cpu time spent up to now is 81.6 secs Computing kpt #: 226 total cpu time spent up to now is 82.0 secs Computing kpt #: 227 total cpu time spent up to now is 82.3 secs Computing kpt #: 228 total cpu time spent up to now is 82.6 secs Computing kpt #: 229 total cpu time spent up to now is 83.0 secs Computing kpt #: 230 total cpu time spent up to now is 83.3 secs Computing kpt #: 231 total cpu time spent up to now is 83.6 secs Computing kpt #: 232 total cpu time spent up to now is 83.9 secs Computing kpt #: 233 total cpu time spent up to now is 84.2 secs Computing kpt #: 234 total cpu time spent up to now is 84.5 secs Computing kpt #: 235 total cpu time spent up to now is 84.8 secs Computing kpt #: 236 total cpu time spent up to now is 85.1 secs Computing kpt #: 237 total cpu time spent up to now is 85.4 secs Computing kpt #: 238 total cpu time spent up to now is 85.7 secs Computing kpt #: 239 total cpu time spent up to now is 86.1 secs Computing kpt #: 240 total cpu time spent up to now is 86.4 secs Computing kpt #: 241 total cpu time spent up to now is 86.7 secs Computing kpt #: 242 total cpu time spent up to now is 87.1 secs Computing kpt #: 243 total cpu time spent up to now is 87.4 secs Computing kpt #: 244 total cpu time spent up to now is 87.7 secs Computing kpt #: 245 total cpu time spent up to now is 88.1 secs Computing kpt #: 246 total cpu time spent up to now is 88.4 secs Computing kpt #: 247 total cpu time spent up to now is 88.7 secs Computing kpt #: 248 total cpu time spent up to now is 89.0 secs Computing kpt #: 249 total cpu time spent up to now is 89.3 secs Computing kpt #: 250 total cpu time spent up to now is 89.7 secs Computing kpt #: 251 total cpu time spent up to now is 90.0 secs Computing kpt #: 252 total cpu time spent up to now is 90.3 secs Computing kpt #: 253 total cpu time spent up to now is 90.6 secs Computing kpt #: 254 total cpu time spent up to now is 91.0 secs Computing kpt #: 255 total cpu time spent up to now is 91.3 secs Computing kpt #: 256 total cpu time spent up to now is 91.6 secs Computing kpt #: 257 total cpu time spent up to now is 91.9 secs Computing kpt #: 258 total cpu time spent up to now is 92.3 secs Computing kpt #: 259 total cpu time spent up to now is 92.6 secs Computing kpt #: 260 total cpu time spent up to now is 92.9 secs Computing kpt #: 261 total cpu time spent up to now is 93.2 secs Computing kpt #: 262 total cpu time spent up to now is 93.6 secs Computing kpt #: 263 total cpu time spent up to now is 93.9 secs Computing kpt #: 264 total cpu time spent up to now is 94.3 secs Computing kpt #: 265 total cpu time spent up to now is 94.6 secs Computing kpt #: 266 total cpu time spent up to now is 94.9 secs Computing kpt #: 267 total cpu time spent up to now is 95.3 secs Computing kpt #: 268 total cpu time spent up to now is 95.6 secs Computing kpt #: 269 total cpu time spent up to now is 95.9 secs Computing kpt #: 270 total cpu time spent up to now is 96.3 secs Computing kpt #: 271 total cpu time spent up to now is 96.6 secs Computing kpt #: 272 total cpu time spent up to now is 97.0 secs Computing kpt #: 273 total cpu time spent up to now is 97.3 secs Computing kpt #: 274 total cpu time spent up to now is 97.6 secs Computing kpt #: 275 total cpu time spent up to now is 98.0 secs Computing kpt #: 276 total cpu time spent up to now is 98.3 secs Computing kpt #: 277 total cpu time spent up to now is 98.6 secs Computing kpt #: 278 total cpu time spent up to now is 99.0 secs Computing kpt #: 279 total cpu time spent up to now is 99.3 secs Computing kpt #: 280 total cpu time spent up to now is 99.6 secs Computing kpt #: 281 total cpu time spent up to now is 100.0 secs Computing kpt #: 282 total cpu time spent up to now is 100.3 secs Computing kpt #: 283 total cpu time spent up to now is 100.6 secs Computing kpt #: 284 total cpu time spent up to now is 100.9 secs Computing kpt #: 285 total cpu time spent up to now is 101.3 secs Computing kpt #: 286 total cpu time spent up to now is 101.6 secs Computing kpt #: 287 total cpu time spent up to now is 101.9 secs Computing kpt #: 288 total cpu time spent up to now is 102.2 secs Computing kpt #: 289 total cpu time spent up to now is 102.5 secs Computing kpt #: 290 total cpu time spent up to now is 102.9 secs Computing kpt #: 291 total cpu time spent up to now is 103.2 secs Computing kpt #: 292 total cpu time spent up to now is 103.6 secs Computing kpt #: 293 total cpu time spent up to now is 104.0 secs Computing kpt #: 294 total cpu time spent up to now is 104.3 secs Computing kpt #: 295 total cpu time spent up to now is 104.7 secs Computing kpt #: 296 total cpu time spent up to now is 105.1 secs Computing kpt #: 297 total cpu time spent up to now is 105.4 secs Computing kpt #: 298 total cpu time spent up to now is 105.8 secs Computing kpt #: 299 total cpu time spent up to now is 106.1 secs Computing kpt #: 300 total cpu time spent up to now is 106.5 secs Computing kpt #: 301 total cpu time spent up to now is 106.8 secs Computing kpt #: 302 total cpu time spent up to now is 107.2 secs Computing kpt #: 303 total cpu time spent up to now is 107.5 secs Computing kpt #: 304 total cpu time spent up to now is 107.9 secs Computing kpt #: 305 total cpu time spent up to now is 108.2 secs Computing kpt #: 306 total cpu time spent up to now is 108.6 secs Computing kpt #: 307 total cpu time spent up to now is 108.9 secs Computing kpt #: 308 total cpu time spent up to now is 109.3 secs Computing kpt #: 309 total cpu time spent up to now is 109.6 secs Computing kpt #: 310 total cpu time spent up to now is 109.9 secs Computing kpt #: 311 total cpu time spent up to now is 110.3 secs Computing kpt #: 312 total cpu time spent up to now is 110.6 secs Computing kpt #: 313 total cpu time spent up to now is 111.0 secs Computing kpt #: 314 total cpu time spent up to now is 111.4 secs Computing kpt #: 315 total cpu time spent up to now is 111.7 secs Computing kpt #: 316 total cpu time spent up to now is 112.1 secs Computing kpt #: 317 total cpu time spent up to now is 112.4 secs Computing kpt #: 318 total cpu time spent up to now is 112.9 secs Computing kpt #: 319 total cpu time spent up to now is 113.2 secs Computing kpt #: 320 total cpu time spent up to now is 113.5 secs Computing kpt #: 321 total cpu time spent up to now is 113.8 secs Computing kpt #: 322 total cpu time spent up to now is 114.2 secs Computing kpt #: 323 total cpu time spent up to now is 114.5 secs Computing kpt #: 324 total cpu time spent up to now is 114.8 secs Computing kpt #: 325 total cpu time spent up to now is 115.1 secs Computing kpt #: 326 total cpu time spent up to now is 115.4 secs Computing kpt #: 327 total cpu time spent up to now is 115.7 secs Computing kpt #: 328 total cpu time spent up to now is 116.1 secs Computing kpt #: 329 total cpu time spent up to now is 116.4 secs Computing kpt #: 330 total cpu time spent up to now is 116.7 secs Computing kpt #: 331 total cpu time spent up to now is 117.0 secs Computing kpt #: 332 total cpu time spent up to now is 117.4 secs Computing kpt #: 333 total cpu time spent up to now is 117.7 secs Computing kpt #: 334 total cpu time spent up to now is 118.0 secs Computing kpt #: 335 total cpu time spent up to now is 118.3 secs Computing kpt #: 336 total cpu time spent up to now is 118.6 secs Computing kpt #: 337 total cpu time spent up to now is 119.0 secs Computing kpt #: 338 total cpu time spent up to now is 119.3 secs Computing kpt #: 339 total cpu time spent up to now is 119.6 secs Computing kpt #: 340 total cpu time spent up to now is 119.9 secs Computing kpt #: 341 total cpu time spent up to now is 120.3 secs Computing kpt #: 342 total cpu time spent up to now is 120.6 secs Computing kpt #: 343 total cpu time spent up to now is 120.9 secs Computing kpt #: 344 total cpu time spent up to now is 121.2 secs Computing kpt #: 345 total cpu time spent up to now is 121.5 secs Computing kpt #: 346 total cpu time spent up to now is 121.8 secs Computing kpt #: 347 total cpu time spent up to now is 122.1 secs Computing kpt #: 348 total cpu time spent up to now is 122.4 secs ethr = 2.27E-08, avg # of iterations = 15.1 total cpu time spent up to now is 122.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2295 2.2295 6.3220 6.3220 8.1876 8.1876 9.7877 9.7877 9.8229 9.8229 10.2220 10.2220 11.6135 11.6135 11.8035 11.8035 12.4842 12.4842 13.0959 13.0959 14.2895 14.2895 14.7476 14.7476 15.2965 15.2965 16.4216 16.4216 17.7567 17.7567 18.1442 18.1442 18.4443 18.4443 20.7217 20.7217 k = 0.0109 0.0063-0.0000 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2312 2.2312 6.3205 6.3205 8.1896 8.1896 9.7891 9.7891 9.8243 9.8243 10.2216 10.2216 11.6124 11.6124 11.8022 11.8022 12.4830 12.4830 13.0948 13.0948 14.2891 14.2891 14.7466 14.7466 15.2941 15.2941 16.4158 16.4158 17.7556 17.7556 18.1470 18.1470 18.4444 18.4444 20.6903 20.6903 k = 0.0217 0.0126-0.0000 ( 3683 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2361 2.2361 6.3160 6.3160 8.1955 8.1955 9.7928 9.7928 9.8286 9.8286 10.2206 10.2206 11.6090 11.6090 11.7983 11.7983 12.4796 12.4796 13.0916 13.0916 14.2878 14.2878 14.7436 14.7436 15.2867 15.2867 16.3986 16.3986 17.7522 17.7522 18.1555 18.1555 18.4446 18.4446 20.6198 20.6198 k = 0.0326 0.0188-0.0000 ( 3681 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7276 -29.7276 -29.6776 -29.6776 -29.6565 -29.6565 2.2443 2.2443 6.3086 6.3086 8.2053 8.2053 9.7984 9.7984 9.8364 9.8364 10.2187 10.2187 11.6032 11.6032 11.7920 11.7920 12.4738 12.4738 13.0866 13.0866 14.2857 14.2857 14.7387 14.7387 15.2742 15.2742 16.3708 16.3708 17.7465 17.7465 18.1697 18.1697 18.4450 18.4450 20.5370 20.5370 k = 0.0435 0.0251-0.0000 ( 3685 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7277 -29.7277 -29.6777 -29.6777 -29.6565 -29.6565 2.2557 2.2557 6.2982 6.2982 8.2190 8.2190 9.8048 9.8048 9.8485 9.8485 10.2160 10.2160 11.5949 11.5949 11.7834 11.7834 12.4655 12.4655 13.0800 13.0800 14.2826 14.2826 14.7318 14.7318 15.2561 15.2561 16.3338 16.3338 17.7385 17.7385 18.1894 18.1894 18.4455 18.4455 20.4524 20.4524 k = 0.0543 0.0314-0.0000 ( 3677 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7278 -29.7278 -29.6777 -29.6777 -29.6565 -29.6565 2.2705 2.2705 6.2851 6.2851 8.2367 8.2367 9.8115 9.8115 9.8652 9.8652 10.2125 10.2125 11.5842 11.5842 11.7729 11.7729 12.4545 12.4545 13.0725 13.0725 14.2786 14.2786 14.7232 14.7232 15.2318 15.2318 16.2893 16.2893 17.7280 17.7280 18.2144 18.2144 18.4457 18.4457 20.3702 20.3702 k = 0.0652 0.0377-0.0000 ( 3681 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7279 -29.7279 -29.6778 -29.6778 -29.6565 -29.6565 2.2884 2.2884 6.2694 6.2694 8.2582 8.2582 9.8184 9.8184 9.8865 9.8865 10.2080 10.2080 11.5706 11.5706 11.7606 11.7606 12.4405 12.4405 13.0644 13.0644 14.2735 14.2735 14.7127 14.7127 15.2011 15.2011 16.2392 16.2392 17.7148 17.7148 18.2443 18.2443 18.4454 18.4454 20.2925 20.2925 k = 0.0761 0.0439-0.0000 ( 3693 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1899 -43.1899 -29.9530 -29.9530 -29.7281 -29.7281 -29.6779 -29.6779 -29.6566 -29.6566 2.3096 2.3096 6.2512 6.2512 8.2836 8.2836 9.8256 9.8256 9.9119 9.9119 10.2025 10.2025 11.5540 11.5540 11.7471 11.7471 12.4233 12.4233 13.0564 13.0564 14.2670 14.2670 14.7003 14.7003 15.1638 15.1638 16.1852 16.1852 17.6988 17.6988 18.2780 18.2780 18.4444 18.4444 20.2204 20.2204 k = 0.0870 0.0502-0.0000 ( 3693 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1900 -43.1900 -29.9530 -29.9530 -29.7283 -29.7283 -29.6780 -29.6780 -29.6566 -29.6566 2.3340 2.3340 6.2308 6.2308 8.3127 8.3127 9.8333 9.8333 9.9410 9.9410 10.1959 10.1959 11.5343 11.5343 11.7328 11.7328 12.4027 12.4027 13.0491 13.0491 14.2592 14.2592 14.6860 14.6860 15.1202 15.1202 16.1290 16.1290 17.6797 17.6797 18.3134 18.3134 18.4436 18.4436 20.1550 20.1550 k = 0.0978 0.0565-0.0000 ( 3693 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1900 -43.1900 -29.9530 -29.9530 -29.7285 -29.7285 -29.6782 -29.6782 -29.6567 -29.6567 2.3616 2.3616 6.2082 6.2082 8.3457 8.3457 9.8413 9.8413 9.9734 9.9734 10.1881 10.1881 11.5112 11.5112 11.7182 11.7182 12.3786 12.3786 13.0430 13.0430 14.2497 14.2497 14.6695 14.6695 15.0712 15.0712 16.0716 16.0716 17.6572 17.6572 18.3451 18.3451 18.4467 18.4467 20.0968 20.0968 k = 0.1087 0.0628-0.0000 ( 3701 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2441 -43.2441 -43.1901 -43.1901 -29.9530 -29.9530 -29.7288 -29.7288 -29.6783 -29.6783 -29.6567 -29.6567 2.3924 2.3924 6.1836 6.1836 8.3825 8.3825 9.8498 9.8498 10.0087 10.0087 10.1788 10.1788 11.4846 11.4846 11.7038 11.7038 12.3508 12.3508 13.0386 13.0386 14.2379 14.2379 14.6503 14.6503 15.0183 15.0183 16.0139 16.0139 17.6310 17.6310 18.3608 18.3608 18.4644 18.4644 20.0466 20.0466 k = 0.1196 0.0690-0.0000 ( 3701 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2441 -43.2441 -43.1901 -43.1901 -29.9530 -29.9530 -29.7291 -29.7291 -29.6785 -29.6785 -29.6568 -29.6568 2.4263 2.4263 6.1574 6.1574 8.4229 8.4229 9.8586 9.8586 10.0462 10.0462 10.1681 10.1681 11.4545 11.4545 11.6901 11.6901 12.3197 12.3197 13.0362 13.0362 14.2233 14.2233 14.6279 14.6279 14.9638 14.9638 15.9561 15.9561 17.6008 17.6008 18.3541 18.3541 18.5012 18.5012 20.0047 20.0047 k = 0.1304 0.0753-0.0000 ( 3707 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2442 -43.2442 -43.1902 -43.1902 -29.9530 -29.9530 -29.7294 -29.7294 -29.6787 -29.6787 -29.6568 -29.6568 2.4634 2.4634 6.1296 6.1296 8.4670 8.4670 9.8677 9.8677 10.0846 10.0846 10.1565 10.1565 11.4212 11.4212 11.6773 11.6773 12.2852 12.2852 13.0361 13.0361 14.2051 14.2051 14.6016 14.6016 14.9105 14.9105 15.8980 15.8980 17.5661 17.5661 18.3317 18.3317 18.5487 18.5487 19.9713 19.9713 k = 0.1413 0.0816-0.0000 ( 3713 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2442 -43.2442 -43.1903 -43.1903 -29.9530 -29.9530 -29.7297 -29.7297 -29.6789 -29.6789 -29.6569 -29.6569 2.5035 2.5035 6.1005 6.1005 8.5147 8.5147 9.8770 9.8770 10.1162 10.1162 10.1512 10.1512 11.3851 11.3851 11.6658 11.6658 12.2479 12.2479 13.0384 13.0384 14.1820 14.1820 14.5713 14.5713 14.8613 14.8613 15.8394 15.8394 17.5265 17.5265 18.2985 18.2985 18.6006 18.6006 19.9461 19.9461 k = 0.1522 0.0879-0.0000 ( 3717 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2442 -43.2442 -43.1903 -43.1903 -29.9530 -29.9530 -29.7300 -29.7300 -29.6791 -29.6791 -29.6569 -29.6569 2.5466 2.5466 6.0703 6.0703 8.5659 8.5659 9.8864 9.8864 10.1125 10.1125 10.1795 10.1795 11.3467 11.3467 11.6558 11.6558 12.2081 12.2081 13.0430 13.0430 14.1529 14.1529 14.5376 14.5376 14.8181 14.8181 15.7797 15.7797 17.4815 17.4815 18.2564 18.2564 18.6541 18.6541 19.9289 19.9289 k = 0.1630 0.0941-0.0000 ( 3715 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2442 -43.2442 -43.1904 -43.1904 -29.9529 -29.9529 -29.7304 -29.7304 -29.6793 -29.6793 -29.6570 -29.6570 2.5928 2.5928 6.0391 6.0391 8.6205 8.6205 9.8956 9.8956 10.0929 10.0929 10.2213 10.2213 11.3070 11.3070 11.6475 11.6475 12.1663 12.1663 13.0500 13.0500 14.1164 14.1164 14.5027 14.5027 14.7818 14.7818 15.7185 15.7185 17.4306 17.4306 18.2065 18.2065 18.7074 18.7074 19.9187 19.9187 k = 0.1739 0.1004-0.0000 ( 3711 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2442 -43.2442 -43.1904 -43.1904 -29.9529 -29.9529 -29.7307 -29.7307 -29.6795 -29.6795 -29.6571 -29.6571 2.6419 2.6419 6.0071 6.0071 8.6785 8.6785 9.9046 9.9046 10.0678 10.0678 10.2647 10.2647 11.2669 11.2669 11.6410 11.6410 12.1232 12.1232 13.0592 13.0592 14.0718 14.0718 14.4691 14.4691 14.7516 14.7516 15.6554 15.6554 17.3735 17.3735 18.1498 18.1498 18.7589 18.7589 19.9146 19.9146 k = 0.1848 0.1067-0.0000 ( 3716 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1905 -43.1905 -29.9529 -29.9529 -29.7311 -29.7311 -29.6797 -29.6797 -29.6571 -29.6571 2.6939 2.6939 5.9746 5.9746 8.7397 8.7397 9.9131 9.9131 10.0377 10.0377 10.3079 10.3079 11.2276 11.2276 11.6366 11.6366 12.0791 12.0791 13.0704 13.0704 14.0195 14.0195 14.4389 14.4389 14.7264 14.7264 15.5902 15.5902 17.3095 17.3095 18.0873 18.0873 18.8073 18.8073 19.9158 19.9158 k = 0.1957 0.1130-0.0000 ( 3716 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1905 -43.1905 -29.9529 -29.9529 -29.7314 -29.7314 -29.6800 -29.6800 -29.6572 -29.6572 2.7488 2.7488 5.9415 5.9415 8.8040 8.8040 9.9206 9.9206 10.0027 10.0027 10.3498 10.3498 11.1909 11.1909 11.6343 11.6343 12.0348 12.0348 13.0834 13.0834 13.9607 13.9607 14.4131 14.4131 14.7046 14.7046 15.5228 15.5228 17.2384 17.2384 18.0200 18.0200 18.8514 18.8514 19.9213 19.9213 k = 0.2065 0.1192-0.0000 ( 3714 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1905 -43.1905 -29.9529 -29.9529 -29.7318 -29.7318 -29.6802 -29.6802 -29.6573 -29.6573 2.8064 2.8064 5.9082 5.9082 8.8713 8.8713 9.9246 9.9246 9.9645 9.9645 10.3891 10.3891 11.1584 11.1584 11.6343 11.6343 11.9907 11.9907 13.0981 13.0981 13.8975 13.8975 14.3914 14.3914 14.6853 14.6853 15.4531 15.4531 17.1599 17.1599 17.9491 17.9491 18.8899 18.8899 19.9308 19.9308 k = 0.2174 0.1255-0.0000 ( 3706 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1906 -43.1906 -29.9528 -29.9528 -29.7322 -29.7322 -29.6804 -29.6804 -29.6573 -29.6573 2.8667 2.8667 5.8746 5.8746 8.9414 8.9414 9.9025 9.9025 9.9450 9.9450 10.4248 10.4248 11.1320 11.1320 11.6366 11.6366 11.9476 11.9476 13.1143 13.1143 13.8316 13.8316 14.3733 14.3733 14.6675 14.6675 15.3815 15.3815 17.0738 17.0738 17.8756 17.8756 18.9219 18.9219 19.9439 19.9439 k = 0.2283 0.1318-0.0000 ( 3706 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1906 -43.1906 -29.9528 -29.9528 -29.7326 -29.7326 -29.6807 -29.6807 -29.6574 -29.6574 2.9297 2.9297 5.8410 5.8410 9.0140 9.0140 9.8500 9.8500 9.9477 9.9477 10.4555 10.4555 11.1138 11.1138 11.6410 11.6410 11.9062 11.9062 13.1317 13.1317 13.7649 13.7649 14.3581 14.3581 14.6502 14.6502 15.3082 15.3082 16.9800 16.9800 17.8001 17.8001 18.9465 18.9465 19.9602 19.9602 k = 0.2391 0.1381-0.0000 ( 3714 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2443 -43.2443 -43.1908 -43.1908 -29.9528 -29.9528 -29.7330 -29.7330 -29.6809 -29.6809 -29.6575 -29.6575 2.9951 2.9951 5.8075 5.8075 9.0889 9.0889 9.7873 9.7873 9.9524 9.9524 10.4802 10.4802 11.1052 11.1052 11.6474 11.6474 11.8675 11.8675 13.1502 13.1502 13.6986 13.6986 14.3450 14.3450 14.6329 14.6329 15.2337 15.2337 16.8784 16.8784 17.7237 17.7237 18.9637 18.9637 19.9794 19.9794 k = 0.2500 0.1443-0.0000 ( 3716 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1908 -43.1908 -29.9528 -29.9528 -29.7334 -29.7334 -29.6811 -29.6811 -29.6576 -29.6576 3.0631 3.0631 5.7741 5.7741 9.1656 9.1656 9.7168 9.7168 9.9569 9.9569 10.4984 10.4984 11.1070 11.1070 11.6547 11.6547 11.8328 11.8328 13.1694 13.1694 13.6336 13.6336 14.3336 14.3336 14.6146 14.6146 15.1590 15.1590 16.7694 16.7694 17.6471 17.6471 18.9734 18.9734 20.0006 20.0006 k = 0.2609 0.1506-0.0000 ( 3716 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1909 -43.1909 -29.9528 -29.9528 -29.7338 -29.7338 -29.6814 -29.6814 -29.6576 -29.6576 3.1333 3.1333 5.7409 5.7409 9.2432 9.2432 9.6396 9.6396 9.9606 9.9606 10.5101 10.5101 11.1195 11.1195 11.6611 11.6611 11.8047 11.8047 13.1893 13.1893 13.5707 13.5707 14.3234 14.3234 14.5945 14.5945 15.0849 15.0849 16.6530 16.6530 17.5709 17.5709 18.9765 18.9765 20.0232 20.0232 k = 0.2717 0.1569-0.0000 ( 3722 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2445 -43.2445 -43.1909 -43.1909 -29.9528 -29.9528 -29.7343 -29.7343 -29.6817 -29.6817 -29.6577 -29.6577 3.2058 3.2058 5.7080 5.7080 9.3193 9.3193 9.5584 9.5584 9.9635 9.9635 10.5162 10.5162 11.1414 11.1414 11.6627 11.6627 11.7874 11.7874 13.2096 13.2096 13.5101 13.5101 14.3143 14.3143 14.5710 14.5710 15.0131 15.0131 16.5298 16.5298 17.4957 17.4957 18.9737 18.9737 20.0460 20.0460 k = 0.2826 0.1632-0.0000 ( 3720 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1910 -43.1910 -29.9527 -29.9527 -29.7347 -29.7347 -29.6819 -29.6819 -29.6578 -29.6578 3.2804 3.2804 5.6754 5.6754 9.3774 9.3774 9.4902 9.4902 9.9658 9.9658 10.5178 10.5178 11.1713 11.1713 11.6559 11.6559 11.7852 11.7852 13.2301 13.2301 13.4521 13.4521 14.3059 14.3059 14.5424 14.5424 14.9455 14.9455 16.4002 16.4002 17.4223 17.4223 18.9665 18.9665 20.0681 20.0681 k = 0.2935 0.1694-0.0000 ( 3712 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1910 -43.1910 -29.9527 -29.9527 -29.7350 -29.7350 -29.6821 -29.6821 -29.6578 -29.6578 3.3568 3.3568 5.6432 5.6432 9.3381 9.3381 9.5146 9.5146 9.9674 9.9674 10.5163 10.5163 11.2075 11.2075 11.6420 11.6420 11.7973 11.7973 13.2503 13.2503 13.3972 13.3972 14.2980 14.2980 14.5066 14.5066 14.8846 14.8846 16.2649 16.2649 17.3512 17.3512 18.9559 18.9559 20.0889 20.0889 k = 0.3043 0.1757-0.0000 ( 3712 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1911 -43.1911 -29.9527 -29.9527 -29.7354 -29.7354 -29.6823 -29.6823 -29.6579 -29.6579 3.4351 3.4351 5.6113 5.6113 9.2452 9.2452 9.5882 9.5882 9.9685 9.9685 10.5128 10.5128 11.2482 11.2482 11.6259 11.6259 11.8194 11.8194 13.2688 13.2688 13.3462 13.3462 14.2904 14.2904 14.4616 14.4616 14.8324 14.8324 16.1246 16.1246 17.2829 17.2829 18.9431 18.9431 20.1079 20.1079 k = 0.3152 0.1820-0.0000 ( 3712 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2445 -43.2445 -43.1911 -43.1911 -29.9527 -29.9527 -29.7358 -29.7358 -29.6826 -29.6826 -29.6580 -29.6580 3.5149 3.5149 5.5799 5.5799 9.1426 9.1426 9.6669 9.6669 9.9698 9.9698 10.5082 10.5082 11.2919 11.2919 11.6112 11.6112 11.8482 11.8482 13.2741 13.2741 13.3107 13.3107 14.2825 14.2825 14.4071 14.4071 14.7901 14.7901 15.9801 15.9801 17.2178 17.2178 18.9290 18.9290 20.1248 20.1248 k = 0.3261 0.1883-0.0000 ( 3712 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2445 -43.2445 -43.1912 -43.1912 -29.9527 -29.9527 -29.7361 -29.7361 -29.6828 -29.6828 -29.6580 -29.6580 3.5960 3.5960 5.5489 5.5489 9.0363 9.0363 9.7444 9.7444 9.9721 9.9721 10.5030 10.5030 11.3375 11.3375 11.6006 11.6006 11.8822 11.8822 13.2381 13.2381 13.3183 13.3183 14.2724 14.2724 14.3454 14.3454 14.7573 14.7573 15.8323 15.8323 17.1562 17.1562 18.9144 18.9144 20.1395 20.1395 k = 0.3370 0.1945-0.0000 ( 3700 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2444 -43.2444 -43.1912 -43.1912 -29.9526 -29.9526 -29.7365 -29.7365 -29.6830 -29.6830 -29.6581 -29.6581 3.6783 3.6783 5.5181 5.5181 8.9282 8.9282 9.8166 9.8166 9.9780 9.9780 10.4977 10.4977 11.3836 11.3836 11.5956 11.5956 11.9204 11.9204 13.1939 13.1939 13.3357 13.3357 14.2457 14.2457 14.2929 14.2929 14.7324 14.7324 15.6822 15.6822 17.0984 17.0984 18.8999 18.8999 20.1518 20.1518 k = 0.3478 0.2008-0.0000 ( 3700 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2444 -43.2444 -43.1913 -43.1913 -29.9526 -29.9526 -29.7368 -29.7368 -29.6832 -29.6832 -29.6582 -29.6582 3.7614 3.7614 5.4877 5.4877 8.8196 8.8196 9.8753 9.8753 9.9945 9.9945 10.4924 10.4924 11.4292 11.4292 11.5977 11.5977 11.9623 11.9623 13.1506 13.1506 13.3533 13.3533 14.1793 14.1793 14.2745 14.2745 14.7133 14.7133 15.5309 15.5309 17.0446 17.0446 18.8858 18.8858 20.1617 20.1617 k = 0.3587 0.2071-0.0000 ( 3704 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2444 -43.2444 -43.1913 -43.1913 -29.9526 -29.9526 -29.7372 -29.7372 -29.6834 -29.6834 -29.6582 -29.6582 3.8451 3.8451 5.4574 5.4574 8.7117 8.7117 9.9086 9.9086 10.0324 10.0324 10.4875 10.4875 11.4732 11.4732 11.6085 11.6085 12.0075 12.0075 13.1090 13.1090 13.3701 13.3701 14.0993 14.0993 14.2657 14.2657 14.6986 14.6986 15.3794 15.3794 16.9950 16.9950 18.8725 18.8725 20.1693 20.1693 k = 0.3696 0.2134-0.0000 ( 3714 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2445 -43.2445 -43.1914 -43.1914 -29.9526 -29.9526 -29.7375 -29.7375 -29.6836 -29.6836 -29.6583 -29.6583 3.9289 3.9289 5.4273 5.4273 8.6055 8.6055 9.9206 9.9206 10.0868 10.0868 10.4829 10.4829 11.5149 11.5149 11.6288 11.6288 12.0555 12.0555 13.0692 13.0692 13.3857 13.3857 14.0153 14.0153 14.2581 14.2581 14.6869 14.6869 15.2290 15.2290 16.9495 16.9495 18.8601 18.8601 20.1746 20.1746 k = 0.3804 0.2196-0.0000 ( 3720 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2446 -43.2446 -43.1915 -43.1915 -29.9526 -29.9526 -29.7378 -29.7378 -29.6838 -29.6838 -29.6583 -29.6583 4.0126 4.0126 5.3971 5.3971 8.5020 8.5020 9.9236 9.9236 10.1446 10.1446 10.4788 10.4788 11.5548 11.5548 11.6583 11.6583 12.1061 12.1061 13.0315 13.0315 13.3997 13.3997 13.9295 13.9295 14.2504 14.2504 14.6777 14.6777 15.0813 15.0813 16.9082 16.9082 18.8487 18.8487 20.1778 20.1778 k = 0.3913 0.2259-0.0000 ( 3716 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9526 -29.9526 -29.7381 -29.7381 -29.6839 -29.6839 -29.6583 -29.6583 4.0956 4.0956 5.3668 5.3668 8.4024 8.4024 9.9231 9.9231 10.1993 10.1993 10.4752 10.4752 11.5949 11.5949 11.6949 11.6949 12.1589 12.1589 12.9961 12.9961 13.4117 13.4117 13.8430 13.8430 14.2416 14.2416 14.6700 14.6700 14.9383 14.9383 16.8711 16.8711 18.8385 18.8385 20.1790 20.1790 k = 0.4022 0.2322-0.0000 ( 3716 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9526 -29.9526 -29.7383 -29.7383 -29.6841 -29.6841 -29.6584 -29.6584 4.1775 4.1775 5.3361 5.3361 8.3077 8.3077 9.9213 9.9213 10.2485 10.2485 10.4721 10.4721 11.6369 11.6369 11.7362 11.7362 12.2133 12.2133 12.9631 12.9631 13.4214 13.4214 13.7566 13.7566 14.2305 14.2305 14.6633 14.6633 14.8026 14.8026 16.8382 16.8382 18.8293 18.8293 20.1785 20.1785 k = 0.4130 0.2385-0.0000 ( 3714 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9526 -29.9526 -29.7385 -29.7385 -29.6842 -29.6842 -29.6584 -29.6584 4.2576 4.2576 5.3051 5.3051 8.2189 8.2189 9.9188 9.9188 10.2911 10.2911 10.4696 10.4696 11.6814 11.6814 11.7805 11.7805 12.2687 12.2687 12.9332 12.9332 13.4283 13.4283 13.6712 13.6712 14.2151 14.2151 14.6518 14.6518 14.6831 14.6831 16.8092 16.8092 18.8213 18.8213 20.1764 20.1764 k = 0.4239 0.2447-0.0000 ( 3716 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1915 -43.1915 -29.9526 -29.9526 -29.7387 -29.7387 -29.6843 -29.6843 -29.6585 -29.6585 4.3352 4.3352 5.2736 5.2736 8.1371 8.1371 9.9161 9.9161 10.3269 10.3269 10.4678 10.4678 11.7273 11.7273 11.8274 11.8274 12.3240 12.3240 12.9072 12.9072 13.4313 13.4313 13.5876 13.5876 14.1924 14.1924 14.5628 14.5628 14.6576 14.6576 16.7841 16.7841 18.8142 18.8142 20.1732 20.1732 k = 0.4348 0.2510-0.0000 ( 3716 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1916 -43.1916 -29.9526 -29.9526 -29.7389 -29.7389 -29.6844 -29.6844 -29.6585 -29.6585 4.4095 4.4095 5.2417 5.2417 8.0633 8.0633 9.9134 9.9134 10.3559 10.3559 10.4666 10.4666 11.7719 11.7719 11.8767 11.8767 12.3780 12.3780 12.8862 12.8862 13.4287 13.4287 13.5081 13.5081 14.1583 14.1583 14.4751 14.4751 14.6534 14.6534 16.7627 16.7627 18.8082 18.8082 20.1692 20.1692 k = 0.4457 0.2573-0.0000 ( 3704 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7390 -29.7390 -29.6845 -29.6845 -29.6585 -29.6585 4.4793 4.4793 5.2096 5.2096 7.9987 7.9987 9.9110 9.9110 10.3785 10.3785 10.4663 10.4663 11.8124 11.8124 11.9281 11.9281 12.4285 12.4285 12.8720 12.8720 13.4055 13.4055 13.4481 13.4481 14.1111 14.1111 14.4132 14.4132 14.6505 14.6505 16.7449 16.7449 18.8033 18.8033 20.1649 20.1649 k = 0.4565 0.2636-0.0000 ( 3700 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7391 -29.7391 -29.6846 -29.6846 -29.6585 -29.6585 4.5432 4.5432 5.1779 5.1779 7.9442 7.9442 9.9089 9.9089 10.3953 10.3953 10.4667 10.4667 11.8468 11.8468 11.9797 11.9797 12.4729 12.4729 12.8665 12.8665 13.3419 13.3419 13.4284 13.4284 14.0562 14.0562 14.3747 14.3747 14.6483 14.6483 16.7306 16.7306 18.7993 18.7993 20.1607 20.1607 k = 0.4674 0.2698-0.0000 ( 3696 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7392 -29.7392 -29.6847 -29.6847 -29.6585 -29.6585 4.5990 4.5990 5.1481 5.1481 7.9007 7.9007 9.9071 9.9071 10.4068 10.4068 10.4678 10.4678 11.8742 11.8742 12.0275 12.0275 12.5083 12.5083 12.8715 12.8715 13.2747 13.2747 13.4150 13.4150 14.0039 14.0039 14.3524 14.3524 14.6467 14.6467 16.7196 16.7196 18.7962 18.7962 20.1569 20.1569 k = 0.4783 0.2761-0.0000 ( 3700 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7393 -29.7393 -29.6847 -29.6847 -29.6585 -29.6585 4.6439 4.6439 5.1225 5.1225 7.8691 7.8691 9.9058 9.9058 10.4141 10.4141 10.4691 10.4691 11.8941 11.8941 12.0668 12.0668 12.5328 12.5328 12.8860 12.8860 13.2155 13.2155 13.4020 13.4020 13.9625 13.9625 14.3399 14.3399 14.6456 14.6456 16.7118 16.7118 18.7940 18.7940 20.1540 20.1540 k = 0.4891 0.2824-0.0000 ( 3700 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1916 -43.1916 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6736 4.6736 5.1044 5.1044 7.8498 7.8498 9.9051 9.9051 10.4181 10.4181 10.4702 10.4702 11.9062 11.9062 12.0929 12.0929 12.5464 12.5464 12.9036 12.9036 13.1718 13.1718 13.3919 13.3919 13.9365 13.9365 14.3336 14.3336 14.6449 14.6449 16.7072 16.7072 18.7927 18.7927 20.1521 20.1521 k = 0.5000 0.2887-0.0000 ( 3694 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6841 4.6841 5.0978 5.0978 7.8434 7.8434 9.9048 9.9048 10.4193 10.4193 10.4706 10.4706 11.9103 11.9103 12.1021 12.1021 12.5507 12.5507 12.9121 12.9121 13.1549 13.1549 13.3881 13.3881 13.9278 13.9278 14.3316 14.3316 14.6447 14.6447 16.7057 16.7057 18.7923 18.7923 20.1515 20.1515 k = 0.5000 0.2887-0.0000 ( 3694 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6841 4.6841 5.0978 5.0978 7.8434 7.8434 9.9048 9.9048 10.4193 10.4193 10.4706 10.4706 11.9103 11.9103 12.1021 12.1021 12.5507 12.5507 12.9121 12.9121 13.1549 13.1549 13.3881 13.3881 13.9278 13.9278 14.3316 14.3316 14.6447 14.6447 16.7057 16.7057 18.7923 18.7923 20.1515 20.1515 k = 0.4938 0.2994-0.0000 ( 3696 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1916 -43.1916 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6854 4.6854 5.0979 5.0979 7.8436 7.8436 9.9027 9.9027 10.4195 10.4195 10.4698 10.4698 11.9134 11.9134 12.0974 12.0974 12.5442 12.5442 12.9022 12.9022 13.1693 13.1693 13.3940 13.3940 13.9281 13.9281 14.3319 14.3319 14.6447 14.6447 16.7087 16.7087 18.7881 18.7881 20.1289 20.1289 k = 0.4877 0.3101-0.0000 ( 3700 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1916 -43.1916 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6893 4.6893 5.0983 5.0983 7.8444 7.8444 9.8964 9.8964 10.4193 10.4193 10.4680 10.4680 11.9227 11.9227 12.0839 12.0839 12.5246 12.5246 12.8801 12.8801 13.2054 13.2054 13.4110 13.4110 13.9293 13.9293 14.3330 14.3330 14.6448 14.6448 16.7176 16.7176 18.7753 18.7753 20.0662 20.0662 k = 0.4815 0.3208-0.0000 ( 3699 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6957 4.6957 5.0990 5.0990 7.8455 7.8455 9.8861 9.8861 10.4164 10.4164 10.4676 10.4676 11.9367 11.9367 12.0629 12.0629 12.4928 12.4928 12.8571 12.8571 13.2521 13.2521 13.4379 13.4379 13.9315 13.9315 14.3348 14.3348 14.6450 14.6450 16.7324 16.7324 18.7534 18.7534 19.9745 19.9745 k = 0.4753 0.3314-0.0000 ( 3695 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2445 -43.2445 -43.1916 -43.1916 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6586 -29.6586 4.7046 4.7046 5.0999 5.0999 7.8471 7.8471 9.8722 9.8722 10.4076 10.4076 10.4716 10.4716 11.9521 11.9521 12.0379 12.0379 12.4512 12.4512 12.8389 12.8389 13.3023 13.3023 13.4729 13.4729 13.9350 13.9350 14.3375 14.3375 14.6451 14.6451 16.7526 16.7526 18.7216 18.7216 19.8645 19.8645 k = 0.4691 0.3421-0.0000 ( 3697 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2445 -43.2445 -43.1916 -43.1916 -29.9525 -29.9525 -29.7395 -29.7395 -29.6847 -29.6847 -29.6586 -29.6586 4.7159 4.7159 5.1011 5.1011 7.8491 7.8491 9.8550 9.8550 10.3918 10.3918 10.4810 10.4810 11.9561 11.9561 12.0210 12.0210 12.4044 12.4044 12.8270 12.8270 13.3527 13.3527 13.5131 13.5131 13.9404 13.9404 14.3412 14.3412 14.6454 14.6454 16.7779 16.7779 18.6787 18.6787 19.7438 19.7438 k = 0.4630 0.3528-0.0000 ( 3705 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7395 -29.7395 -29.6848 -29.6848 -29.6586 -29.6586 4.7297 4.7297 5.1025 5.1025 7.8512 7.8512 9.8349 9.8349 10.3697 10.3697 10.4951 10.4951 11.9313 11.9313 12.0275 12.0275 12.3585 12.3585 12.8207 12.8207 13.4015 13.4015 13.5561 13.5561 13.9485 13.9485 14.3461 14.3461 14.6457 14.6457 16.8076 16.8076 18.6237 18.6237 19.6168 19.6168 k = 0.4568 0.3635-0.0000 ( 3705 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7396 -29.7396 -29.6848 -29.6848 -29.6586 -29.6586 4.7457 4.7457 5.1043 5.1043 7.8536 7.8536 9.8125 9.8125 10.3419 10.3419 10.5132 10.5132 11.8904 11.8904 12.0401 12.0401 12.3220 12.3220 12.8186 12.8186 13.4474 13.4474 13.5990 13.5990 13.9606 13.9606 14.3527 14.3527 14.6461 14.6461 16.8413 16.8413 18.5557 18.5557 19.4858 19.4858 k = 0.4506 0.3742-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7396 -29.7396 -29.6849 -29.6849 -29.6587 -29.6587 4.7639 4.7639 5.1063 5.1063 7.8559 7.8559 9.7882 9.7882 10.3086 10.3086 10.5347 10.5347 11.8438 11.8438 12.0409 12.0409 12.3048 12.3048 12.8200 12.8200 13.4894 13.4894 13.6391 13.6391 13.9779 13.9779 14.3616 14.3616 14.6465 14.6465 16.8781 16.8781 18.4743 18.4743 19.3515 19.3515 k = 0.4444 0.3849-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7397 -29.7397 -29.6849 -29.6849 -29.6587 -29.6587 4.7841 4.7841 5.1087 5.1087 7.8581 7.8581 9.7627 9.7627 10.2702 10.2702 10.5593 10.5593 11.7948 11.7948 12.0229 12.0229 12.3129 12.3129 12.8242 12.8242 13.5268 13.5268 13.6740 13.6740 14.0014 14.0014 14.3739 14.3739 14.6471 14.6471 16.9173 16.9173 18.3798 18.3798 19.2142 19.2142 k = 0.4383 0.3956-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9524 -29.9524 -29.7397 -29.7397 -29.6849 -29.6849 -29.6587 -29.6587 4.8061 4.8061 5.1114 5.1114 7.8599 7.8599 9.7364 9.7364 10.2270 10.2270 10.5868 10.5868 11.7451 11.7451 11.9902 11.9902 12.3416 12.3416 12.8307 12.8307 13.5590 13.5590 13.7019 13.7019 14.0309 14.0309 14.3909 14.3909 14.6478 14.6478 16.9580 16.9580 18.2731 18.2731 19.0741 19.0741 k = 0.4321 0.4063-0.0000 ( 3701 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9524 -29.9524 -29.7398 -29.7398 -29.6850 -29.6850 -29.6587 -29.6587 4.8298 4.8298 5.1145 5.1145 7.8613 7.8613 9.7097 9.7097 10.1793 10.1793 10.6169 10.6169 11.6958 11.6958 11.9506 11.9506 12.3828 12.3828 12.8394 12.8394 13.5858 13.5858 13.7226 13.7226 14.0643 14.0643 14.4147 14.4147 14.6489 14.6489 16.9995 16.9995 18.1556 18.1556 18.9324 18.9324 k = 0.4259 0.4170-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9524 -29.9524 -29.7398 -29.7398 -29.6851 -29.6851 -29.6588 -29.6588 4.8550 4.8550 5.1180 5.1180 7.8619 7.8619 9.6831 9.6831 10.1277 10.1277 10.6495 10.6495 11.6479 11.6479 11.9093 11.9093 12.4304 12.4304 12.8501 12.8501 13.6071 13.6071 13.7371 13.7371 14.0978 14.0978 14.4472 14.4472 14.6507 14.6507 17.0407 17.0407 18.0292 18.0292 18.7907 18.7907 k = 0.4198 0.4277-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9524 -29.9524 -29.7399 -29.7399 -29.6851 -29.6851 -29.6588 -29.6588 4.8812 4.8812 5.1221 5.1221 7.8615 7.8615 9.6569 9.6569 10.0731 10.0731 10.6842 10.6842 11.6020 11.6020 11.8690 11.8690 12.4810 12.4810 12.8630 12.8630 13.6228 13.6228 13.7467 13.7467 14.1278 14.1278 14.4895 14.4895 14.6542 14.6542 17.0810 17.0810 17.8955 17.8955 18.6508 18.6508 k = 0.4136 0.4384-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9524 -29.9524 -29.7400 -29.7400 -29.6852 -29.6852 -29.6588 -29.6588 4.9082 4.9082 5.1267 5.1267 7.8600 7.8600 9.6315 9.6315 10.0162 10.0162 10.7208 10.7208 11.5586 11.5586 11.8311 11.8311 12.5321 12.5321 12.8782 12.8782 13.6334 13.6334 13.7531 13.7531 14.1519 14.1519 14.5392 14.5392 14.6626 14.6626 17.1193 17.1193 17.7565 17.7565 18.5145 18.5145 k = 0.4074 0.4491-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1918 -43.1918 -29.9524 -29.9524 -29.7401 -29.7401 -29.6852 -29.6852 -29.6589 -29.6589 4.9355 4.9355 5.1321 5.1321 7.8570 7.8570 9.6072 9.6072 9.9583 9.9583 10.7589 10.7589 11.5177 11.5177 11.7962 11.7962 12.5819 12.5819 12.8960 12.8960 13.6391 13.6391 13.7571 13.7571 14.1698 14.1698 14.5849 14.5849 14.6861 14.6861 17.1542 17.1542 17.6143 17.6143 18.3835 18.3835 k = 0.4012 0.4597-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1918 -43.1918 -29.9524 -29.9524 -29.7402 -29.7402 -29.6853 -29.6853 -29.6589 -29.6589 4.9625 4.9625 5.1383 5.1383 7.8525 7.8525 9.5842 9.5842 9.9005 9.9005 10.7981 10.7981 11.4796 11.4796 11.7647 11.7647 12.6289 12.6289 12.9167 12.9167 13.6406 13.6406 13.7594 13.7594 14.1825 14.1825 14.6098 14.6098 14.7397 14.7397 17.1828 17.1828 17.4725 17.4725 18.2594 18.2594 k = 0.3951 0.4704-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1918 -43.1918 -29.9524 -29.9524 -29.7402 -29.7402 -29.6853 -29.6853 -29.6589 -29.6589 4.9888 4.9888 5.1458 5.1458 7.8462 7.8462 9.5627 9.5627 9.8440 9.8440 10.8380 10.8380 11.4441 11.4441 11.7370 11.7370 12.6719 12.6719 12.9403 12.9403 13.6386 13.6386 13.7602 13.7602 14.1912 14.1912 14.6189 14.6189 14.8166 14.8166 17.1919 17.1919 17.3451 17.3451 18.1434 18.1434 k = 0.3889 0.4811-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1918 -43.1918 -29.9524 -29.9524 -29.7403 -29.7403 -29.6854 -29.6854 -29.6589 -29.6589 5.0135 5.0135 5.1546 5.1546 7.8381 7.8381 9.5428 9.5428 9.7899 9.7899 10.8780 10.8780 11.4112 11.4112 11.7130 11.7130 12.7098 12.7098 12.9669 12.9669 13.6337 13.6337 13.7597 13.7597 14.1969 14.1969 14.6220 14.6220 14.9051 14.9051 17.1226 17.1226 17.2916 17.2916 18.0368 18.0368 k = 0.3827 0.4918-0.0000 ( 3719 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2448 -43.2448 -43.1918 -43.1918 -29.9524 -29.9524 -29.7404 -29.7404 -29.6855 -29.6855 -29.6589 -29.6589 5.0360 5.0360 5.1650 5.1650 7.8282 7.8282 9.5245 9.5245 9.7396 9.7396 10.9175 10.9175 11.3808 11.3808 11.6928 11.6928 12.7424 12.7424 12.9958 12.9958 13.6267 13.6267 13.7579 13.7579 14.2006 14.2006 14.6228 14.6228 15.0004 15.0004 16.9896 16.9896 17.2978 17.2978 17.9405 17.9405 k = 0.3765 0.5025-0.0000 ( 3723 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2448 -43.2448 -43.1918 -43.1918 -29.9524 -29.9524 -29.7404 -29.7404 -29.6855 -29.6855 -29.6590 -29.6590 5.0556 5.0556 5.1771 5.1771 7.8167 7.8167 9.5080 9.5080 9.6940 9.6940 10.9559 10.9559 11.3531 11.3531 11.6761 11.6761 12.7698 12.7698 13.0259 13.0259 13.6184 13.6184 13.7550 13.7550 14.2028 14.2028 14.6226 14.6226 15.1002 15.1002 16.8458 16.8458 17.3111 17.3111 17.8560 17.8560 k = 0.3704 0.5132-0.0000 ( 3719 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2448 -43.2448 -43.1918 -43.1918 -29.9524 -29.9524 -29.7405 -29.7405 -29.6856 -29.6856 -29.6590 -29.6590 5.0721 5.0721 5.1904 5.1904 7.8040 7.8040 9.4932 9.4932 9.6541 9.6541 10.9923 10.9923 11.3280 11.3280 11.6630 11.6630 12.7926 12.7926 13.0557 13.0557 13.6093 13.6093 13.7510 13.7510 14.2040 14.2040 14.6219 14.6219 15.2034 15.2034 16.7016 16.7016 17.3218 17.3218 17.7842 17.7842 k = 0.3642 0.5239-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7406 -29.7406 -29.6856 -29.6856 -29.6590 -29.6590 5.0857 5.0857 5.2041 5.2041 7.7906 7.7906 9.4801 9.4801 9.6204 9.6204 11.0256 11.0256 11.3061 11.3061 11.6530 11.6530 12.8111 12.8111 13.0839 13.0839 13.6000 13.6000 13.7461 13.7461 14.2045 14.2045 14.6210 14.6210 15.3088 15.3088 16.5598 16.5598 17.3276 17.3276 17.7263 17.7263 k = 0.3580 0.5346-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7406 -29.7406 -29.6856 -29.6856 -29.6590 -29.6590 5.0966 5.0966 5.2172 5.2172 7.7774 7.7774 9.4687 9.4687 9.5936 9.5936 11.0547 11.0547 11.2877 11.2877 11.6460 11.6460 12.8260 12.8260 13.1090 13.1090 13.5912 13.5912 13.7409 13.7409 14.2046 14.2046 14.6200 14.6200 15.4157 15.4157 16.4220 16.4220 17.3281 17.3281 17.6826 17.6826 k = 0.3519 0.5453-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2446 -43.2446 -43.1919 -43.1919 -29.9523 -29.9523 -29.7406 -29.7406 -29.6856 -29.6856 -29.6590 -29.6590 5.1053 5.1053 5.2284 5.2284 7.7651 7.7651 9.4592 9.4592 9.5735 9.5735 11.0782 11.0782 11.2735 11.2735 11.6415 11.6415 12.8376 12.8376 13.1300 13.1300 13.5834 13.5834 13.7356 13.7356 14.2045 14.2045 14.6192 14.6192 15.5225 15.5225 16.2903 16.2903 17.3243 17.3243 17.6523 17.6523 k = 0.3457 0.5560-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1119 5.1119 5.2368 5.2368 7.7550 7.7550 9.4520 9.4520 9.5600 9.5600 11.0948 11.0948 11.2641 11.2641 11.6389 11.6389 12.8459 12.8459 13.1459 13.1459 13.5771 13.5771 13.7309 13.7309 14.2042 14.2042 14.6185 14.6185 15.6265 15.6265 16.1679 16.1679 17.3183 17.3183 17.6337 17.6337 k = 0.3395 0.5667-0.0000 ( 3713 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1919 -43.1919 -29.9523 -29.9523 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1164 5.1165 5.2419 5.2419 7.7481 7.7481 9.4473 9.4473 9.5524 9.5524 11.1041 11.1041 11.2595 11.2595 11.6379 11.6379 12.8510 12.8510 13.1558 13.1558 13.5730 13.5730 13.7275 13.7275 14.2040 14.2040 14.6180 14.6180 15.7184 15.7184 16.0646 16.0646 17.3130 17.3130 17.6242 17.6242 k = 0.3333 0.5774-0.0000 ( 3705 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1918 -43.1918 -29.9523 -29.9523 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1182 5.1182 5.2434 5.2434 7.7456 7.7456 9.4457 9.4457 9.5500 9.5500 11.1069 11.1069 11.2585 11.2585 11.6377 11.6377 12.8527 12.8527 13.1592 13.1592 13.5715 13.5715 13.7262 13.7262 14.2039 14.2039 14.6180 14.6180 15.7634 15.7634 16.0157 16.0157 17.3108 17.3108 17.6215 17.6215 k = 0.3333 0.5774-0.0000 ( 3705 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1918 -43.1918 -29.9523 -29.9523 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1182 5.1182 5.2434 5.2434 7.7456 7.7456 9.4457 9.4457 9.5500 9.5500 11.1069 11.1069 11.2585 11.2585 11.6377 11.6377 12.8527 12.8527 13.1592 13.1592 13.5715 13.5715 13.7262 13.7262 14.2039 14.2039 14.6180 14.6180 15.7634 15.7634 16.0157 16.0157 17.3108 17.3108 17.6215 17.6215 k = 0.3270 0.5665-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1918 -43.1918 -29.9523 -29.9523 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1158 5.1158 5.2422 5.2422 7.7486 7.7486 9.4475 9.4475 9.5522 9.5522 11.1047 11.1047 11.2587 11.2587 11.6377 11.6377 12.8508 12.8508 13.1556 13.1556 13.5732 13.5732 13.7278 13.7278 14.2041 14.2041 14.6181 14.6181 15.7191 15.7191 16.0643 16.0643 17.3135 17.3135 17.6239 17.6239 k = 0.3208 0.5556-0.0000 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1073 5.1073 5.2398 5.2398 7.7581 7.7581 9.4526 9.4526 9.5587 9.5587 11.0996 11.0996 11.2577 11.2577 11.6374 11.6374 12.8451 12.8451 13.1447 13.1447 13.5782 13.5782 13.7333 13.7333 14.2046 14.2046 14.6186 14.6186 15.6340 15.6340 16.1623 16.1623 17.3221 17.3221 17.6305 17.6305 k = 0.3145 0.5447-0.0000 ( 3721 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7406 -29.7406 -29.6856 -29.6856 -29.6590 -29.6590 5.0903 5.0903 5.2383 5.2383 7.7749 7.7749 9.4612 9.4612 9.5689 9.5689 11.0929 11.0929 11.2536 11.2536 11.6365 11.6365 12.8353 12.8353 13.1268 13.1268 13.5865 13.5865 13.7430 13.7430 14.2057 14.2057 14.6195 14.6195 15.5444 15.5444 16.2743 16.2743 17.3365 17.3365 17.6411 17.6411 k = 0.3082 0.5338-0.0000 ( 3709 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2446 -43.2446 -43.1919 -43.1919 -29.9524 -29.9524 -29.7406 -29.7406 -29.6856 -29.6856 -29.6590 -29.6590 5.0633 5.0633 5.2392 5.2392 7.7995 7.7995 9.4729 9.4729 9.5825 9.5825 11.0853 11.0853 11.2453 11.2453 11.6350 11.6350 12.8211 12.8211 13.1027 13.1027 13.5980 13.5980 13.7573 13.7573 14.2077 14.2077 14.6208 14.6208 15.4599 15.4599 16.3915 16.3915 17.3561 17.3561 17.6559 17.6559 k = 0.3019 0.5229-0.0000 ( 3719 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2446 -43.2446 -43.1919 -43.1919 -29.9524 -29.9524 -29.7405 -29.7405 -29.6855 -29.6855 -29.6590 -29.6590 5.0262 5.0262 5.2431 5.2431 7.8320 7.8320 9.4875 9.4875 9.5992 9.5992 11.0763 11.0763 11.2324 11.2324 11.6327 11.6327 12.8019 12.8019 13.0738 13.0738 13.6120 13.6120 13.7760 13.7760 14.2107 14.2107 14.6225 14.6225 15.3838 15.3838 16.5111 16.5111 17.3796 17.3796 17.6756 17.6756 k = 0.2956 0.5120-0.0000 ( 3719 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2446 -43.2446 -43.1919 -43.1919 -29.9524 -29.9524 -29.7404 -29.7404 -29.6855 -29.6855 -29.6590 -29.6590 4.9798 4.9798 5.2496 5.2496 7.8724 7.8724 9.5046 9.5046 9.6187 9.6187 11.0649 11.0649 11.2157 11.2157 11.6303 11.6303 12.7770 12.7770 13.0419 13.0419 13.6275 13.6275 13.7986 13.7986 14.2149 14.2149 14.6247 14.6247 15.3182 15.3182 16.6320 16.6320 17.4056 17.4056 17.7009 17.7009 k = 0.2893 0.5011-0.0000 ( 3723 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7403 -29.7403 -29.6854 -29.6854 -29.6590 -29.6590 4.9252 4.9252 5.2581 5.2581 7.9205 7.9205 9.5240 9.5240 9.6408 9.6408 11.0484 11.0484 11.1974 11.1974 11.6279 11.6279 12.7457 12.7457 13.0090 13.0090 13.6436 13.6436 13.8246 13.8246 14.2204 14.2204 14.6273 14.6273 15.2647 15.2647 16.7537 16.7537 17.4324 17.4324 17.7326 17.7326 k = 0.2830 0.4902-0.0000 ( 3721 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1919 -43.1919 -29.9524 -29.9524 -29.7402 -29.7402 -29.6853 -29.6853 -29.6590 -29.6590 4.8635 4.8635 5.2685 5.2685 7.9757 7.9757 9.5453 9.5453 9.6653 9.6653 11.0232 11.0232 11.1814 11.1814 11.6258 11.6258 12.7073 12.7073 12.9773 12.9773 13.6588 13.6588 13.8533 13.8533 14.2271 14.2271 14.6307 14.6307 15.2247 15.2247 16.8757 16.8757 17.4589 17.4589 17.7714 17.7714 k = 0.2767 0.4793-0.0000 ( 3723 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2447 -43.2447 -43.1918 -43.1918 -29.9524 -29.9524 -29.7401 -29.7401 -29.6852 -29.6852 -29.6589 -29.6589 4.7958 4.7958 5.2803 5.2803 8.0376 8.0376 9.5683 9.5683 9.6920 9.6920 10.9862 10.9862 11.1711 11.1711 11.6240 11.6240 12.6612 12.6612 12.9486 12.9486 13.6716 13.6716 13.8842 13.8842 14.2347 14.2347 14.6348 14.6348 15.1997 15.1997 16.9977 16.9977 17.4845 17.4845 17.8170 17.8170 k = 0.2704 0.4684-0.0000 ( 3721 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9524 -29.9524 -29.7399 -29.7399 -29.6851 -29.6851 -29.6589 -29.6589 4.7229 4.7229 5.2934 5.2934 8.1055 8.1055 9.5924 9.5924 9.7208 9.7208 10.9369 10.9369 11.1674 11.1674 11.6225 11.6225 12.6079 12.6079 12.9240 12.9240 13.6807 13.6807 13.9171 13.9171 14.2426 14.2426 14.6401 14.6401 15.1908 15.1908 17.1194 17.1194 17.5091 17.5091 17.8688 17.8688 k = 0.2642 0.4575-0.0000 ( 3721 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9524 -29.9524 -29.7397 -29.7397 -29.6850 -29.6850 -29.6589 -29.6589 4.6457 4.6457 5.3078 5.3078 8.1789 8.1789 9.6175 9.6175 9.7516 9.7516 10.8770 10.8770 11.1696 11.1696 11.6210 11.6210 12.5480 12.5480 12.9040 12.9040 13.6847 13.6847 13.9520 13.9520 14.2500 14.2500 14.6467 14.6467 15.1987 15.1987 17.2403 17.2403 17.5333 17.5333 17.9254 17.9254 k = 0.2579 0.4466-0.0000 ( 3721 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9525 -29.9525 -29.7396 -29.7396 -29.6849 -29.6849 -29.6588 -29.6588 4.5652 4.5652 5.3233 5.3233 8.2570 8.2570 9.6432 9.6432 9.7841 9.7841 10.8085 10.8085 11.1763 11.1763 11.6192 11.6192 12.4827 12.4827 12.8889 12.8889 13.6830 13.6830 13.9890 13.9890 14.2561 14.2561 14.6548 14.6548 15.2233 15.2233 17.3596 17.3596 17.5582 17.5582 17.9855 17.9855 k = 0.2516 0.4357-0.0000 ( 3723 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1918 -43.1918 -29.9525 -29.9525 -29.7393 -29.7393 -29.6848 -29.6848 -29.6588 -29.6588 4.4818 4.4818 5.3399 5.3399 8.3392 8.3392 9.6691 9.6691 9.8184 9.8184 10.7332 10.7332 11.1868 11.1868 11.6170 11.6170 12.4132 12.4132 12.8786 12.8786 13.6754 13.6754 14.0281 14.0281 14.2606 14.2606 14.6645 14.6645 15.2641 15.2641 17.4749 17.4749 17.5867 17.5867 18.0477 18.0477 k = 0.2453 0.4248-0.0000 ( 3727 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7391 -29.7391 -29.6846 -29.6846 -29.6587 -29.6587 4.3964 4.3964 5.3577 5.3577 8.4248 8.4248 9.6948 9.6948 9.8542 9.8542 10.6525 10.6525 11.2006 11.2006 11.6140 11.6140 12.3405 12.3405 12.8733 12.8733 13.6622 13.6622 14.0693 14.0693 14.2636 14.2636 14.6757 14.6757 15.3198 15.3198 17.5706 17.5706 17.6346 17.6346 18.1106 18.1106 k = 0.2390 0.4139-0.0000 ( 3731 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7389 -29.7389 -29.6845 -29.6845 -29.6587 -29.6587 4.3095 4.3095 5.3765 5.3765 8.5133 8.5133 9.7202 9.7202 9.8913 9.8913 10.5677 10.5677 11.2172 11.2172 11.6100 11.6100 12.2655 12.2655 12.8731 12.8731 13.6441 13.6441 14.1122 14.1122 14.2652 14.2652 14.6885 14.6885 15.3888 15.3888 17.6179 17.6179 17.7307 17.7307 18.1730 18.1730 k = 0.2327 0.4031-0.0000 ( 3727 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1917 -43.1917 -29.9525 -29.9525 -29.7386 -29.7386 -29.6843 -29.6843 -29.6586 -29.6586 4.2216 4.2216 5.3965 5.3965 8.6038 8.6038 9.7450 9.7450 9.9295 9.9295 10.4798 10.4798 11.2364 11.2364 11.6050 11.6050 12.1890 12.1890 12.8783 12.8783 13.6220 13.6220 14.1563 14.1563 14.2660 14.2660 14.7029 14.7029 15.4689 15.4689 17.6509 17.6509 17.8412 17.8412 18.2336 18.2336 k = 0.2264 0.3922-0.0000 ( 3723 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2446 -43.2446 -43.1916 -43.1916 -29.9525 -29.9525 -29.7383 -29.7383 -29.6841 -29.6841 -29.6586 -29.6586 4.1331 4.1331 5.4175 5.4175 8.6959 8.6959 9.7687 9.7687 9.9682 9.9682 10.3903 10.3903 11.2580 11.2580 11.5987 11.5987 12.1117 12.1117 12.8890 12.8890 13.5964 13.5964 14.2012 14.2012 14.2664 14.2664 14.7192 14.7192 15.5582 15.5582 17.6836 17.6836 17.9518 17.9518 18.2915 18.2915 k = 0.2201 0.3813-0.0000 ( 3721 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2445 -43.2445 -43.1916 -43.1916 -29.9525 -29.9525 -29.7380 -29.7380 -29.6839 -29.6839 -29.6585 -29.6585 4.0445 4.0445 5.4395 5.4395 8.7889 8.7889 9.7912 9.7912 10.0063 10.0063 10.3008 10.3008 11.2818 11.2818 11.5913 11.5913 12.0344 12.0344 12.9053 12.9053 13.5684 13.5684 14.2461 14.2461 14.2669 14.2669 14.7377 14.7377 15.6549 15.6549 17.7183 17.7183 18.0599 18.0599 18.3458 18.3458 k = 0.2138 0.3704-0.0000 ( 3715 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2445 -43.2445 -43.1915 -43.1915 -29.9526 -29.9526 -29.7377 -29.7377 -29.6837 -29.6837 -29.6584 -29.6584 3.9561 3.9561 5.4626 5.4626 8.8821 8.8821 9.8122 9.8122 10.0395 10.0395 10.2162 10.2162 11.3076 11.3076 11.5828 11.5828 11.9578 11.9578 12.9273 12.9273 13.5385 13.5385 14.2672 14.2672 14.2910 14.2910 14.7590 14.7590 15.7572 15.7572 17.7558 17.7558 18.1646 18.1646 18.3955 18.3955 k = 0.2075 0.3595-0.0000 ( 3719 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2445 -43.2445 -43.1915 -43.1915 -29.9526 -29.9526 -29.7374 -29.7374 -29.6835 -29.6835 -29.6584 -29.6584 3.8682 3.8682 5.4868 5.4868 8.9749 8.9749 9.8310 9.8310 10.0453 10.0453 10.1596 10.1596 11.3349 11.3349 11.5732 11.5732 11.8827 11.8827 12.9550 12.9550 13.5073 13.5073 14.2683 14.2683 14.3339 14.3339 14.7836 14.7836 15.8635 15.8635 17.7963 17.7963 18.2649 18.2649 18.4403 18.4403 k = 0.2013 0.3486-0.0000 ( 3715 PWs) bands (ev): -76.3299 -76.3299 -76.3114 -76.3114 -43.2445 -43.2445 -43.1914 -43.1914 -29.9526 -29.9526 -29.7370 -29.7370 -29.6833 -29.6833 -29.6583 -29.6583 3.7811 3.7811 5.5119 5.5119 9.0667 9.0667 9.8463 9.8463 9.9887 9.9887 10.1676 10.1676 11.3633 11.3633 11.5629 11.5629 11.8103 11.8103 12.9884 12.9884 13.4754 13.4754 14.2699 14.2699 14.3749 14.3749 14.8121 14.8121 15.9726 15.9726 17.8402 17.8402 18.3595 18.3595 18.4801 18.4801 k = 0.1950 0.3377-0.0000 ( 3715 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2445 -43.2445 -43.1913 -43.1913 -29.9526 -29.9526 -29.7366 -29.7366 -29.6831 -29.6831 -29.6582 -29.6582 3.6951 3.6951 5.5380 5.5380 9.1568 9.1568 9.8476 9.8476 9.9185 9.9185 10.2019 10.2019 11.3916 11.3916 11.5516 11.5516 11.7426 11.7426 13.0274 13.0274 13.4432 13.4432 14.2722 14.2722 14.4131 14.4131 14.8451 14.8451 16.0831 16.0831 17.8877 17.8877 18.4459 18.4459 18.5164 18.5164 k = 0.1887 0.3268-0.0000 ( 3713 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2445 -43.2445 -43.1912 -43.1912 -29.9526 -29.9526 -29.7363 -29.7363 -29.6829 -29.6829 -29.6581 -29.6581 3.6104 3.6104 5.5651 5.5651 9.2443 9.2443 9.7919 9.7919 9.8990 9.8990 10.2409 10.2409 11.4170 11.4170 11.5395 11.5395 11.6832 11.6832 13.0719 13.0719 13.4109 13.4109 14.2751 14.2751 14.4481 14.4481 14.8828 14.8828 16.1939 16.1939 17.9389 17.9389 18.5120 18.5120 18.5603 18.5603 k = 0.1824 0.3159-0.0000 ( 3709 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1912 -43.1912 -29.9527 -29.9527 -29.7359 -29.7359 -29.6826 -29.6826 -29.6580 -29.6580 3.5272 3.5272 5.5931 5.5931 9.3282 9.3282 9.7075 9.7075 9.9068 9.9068 10.2803 10.2803 11.4317 11.4317 11.5284 11.5284 11.6391 11.6391 13.1216 13.1216 13.3791 13.3791 14.2787 14.2787 14.4795 14.4795 14.9253 14.9253 16.3041 16.3041 17.9937 17.9937 18.5441 18.5441 18.6249 18.6249 k = 0.1761 0.3050-0.0000 ( 3713 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2445 -43.2445 -43.1911 -43.1911 -29.9527 -29.9527 -29.7355 -29.7355 -29.6824 -29.6824 -29.6580 -29.6580 3.4456 3.4456 5.6219 5.6219 9.4060 9.4060 9.6222 9.6222 9.9169 9.9169 10.3183 10.3183 11.4218 11.4218 11.5245 11.5245 11.6190 11.6190 13.1762 13.1762 13.3481 13.3481 14.2830 14.2830 14.5074 14.5074 14.9724 14.9724 16.4127 16.4127 18.0522 18.0522 18.5609 18.5609 18.6913 18.6913 k = 0.1698 0.2941-0.0000 ( 3719 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1911 -43.1911 -29.9527 -29.9527 -29.7351 -29.7351 -29.6822 -29.6822 -29.6579 -29.6579 3.3659 3.3659 5.6516 5.6516 9.4611 9.4611 9.5559 9.5559 9.9265 9.9265 10.3536 10.3536 11.3879 11.3879 11.5259 11.5259 11.6256 11.6256 13.2340 13.2340 13.3196 13.3196 14.2881 14.2881 14.5322 14.5322 15.0235 15.0235 16.5189 16.5189 18.1141 18.1141 18.5705 18.5705 18.7513 18.7513 k = 0.1635 0.2832-0.0000 ( 3717 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1910 -43.1910 -29.9527 -29.9527 -29.7347 -29.7347 -29.6819 -29.6819 -29.6578 -29.6578 3.2882 3.2882 5.6820 5.6820 9.4207 9.4207 9.5817 9.5817 9.9350 9.9350 10.3849 10.3849 11.3452 11.3452 11.5258 11.5258 11.6515 11.6515 13.2728 13.2728 13.3157 13.3157 14.2940 14.2940 14.5544 14.5544 15.0780 15.0780 16.6220 16.6220 18.1790 18.1790 18.5754 18.5754 18.8027 18.8027 k = 0.1572 0.2723-0.0000 ( 3725 PWs) bands (ev): -76.3299 -76.3299 -76.3115 -76.3115 -43.2444 -43.2444 -43.1910 -43.1910 -29.9527 -29.9527 -29.7343 -29.7343 -29.6817 -29.6817 -29.6578 -29.6578 3.2126 3.2126 5.7130 5.7130 9.3410 9.3410 9.6434 9.6434 9.9423 9.9423 10.4105 10.4105 11.3034 11.3034 11.5254 11.5254 11.6877 11.6877 13.2528 13.2528 13.3760 13.3760 14.3008 14.3008 14.5744 14.5744 15.1351 15.1351 16.7214 16.7214 18.2459 18.2459 18.5776 18.5776 18.8448 18.8448 k = 0.1509 0.2614-0.0000 ( 3729 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1910 -43.1910 -29.9528 -29.9528 -29.7339 -29.7339 -29.6815 -29.6815 -29.6577 -29.6577 3.1392 3.1392 5.7447 5.7447 9.2587 9.2587 9.7040 9.7040 9.9488 9.9488 10.4289 10.4289 11.2675 11.2675 11.5261 11.5261 11.7292 11.7292 13.2263 13.2263 13.4478 13.4478 14.3086 14.3086 14.5928 14.5928 15.1943 15.1943 16.8165 16.8165 18.3127 18.3127 18.5801 18.5801 18.8768 18.8768 k = 0.1447 0.2505-0.0000 ( 3733 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1909 -43.1909 -29.9528 -29.9528 -29.7335 -29.7335 -29.6812 -29.6812 -29.6576 -29.6576 3.0682 3.0682 5.7768 5.7768 9.1774 9.1774 9.7592 9.7592 9.9552 9.9552 10.4386 10.4386 11.2401 11.2401 11.5287 11.5287 11.7739 11.7739 13.2004 13.2004 13.5239 13.5239 14.3176 14.3176 14.6101 14.6101 15.2549 15.2549 16.9069 16.9069 18.3744 18.3744 18.5887 18.5887 18.8986 18.8986 k = 0.1384 0.2397-0.0000 ( 3737 PWs) bands (ev): -76.3300 -76.3300 -76.3116 -76.3116 -43.2444 -43.2444 -43.1909 -43.1909 -29.9528 -29.9528 -29.7331 -29.7331 -29.6810 -29.6810 -29.6576 -29.6576 2.9996 2.9996 5.8094 5.8094 9.0982 9.0982 9.8071 9.8071 9.9624 9.9624 10.4383 10.4383 11.2230 11.2230 11.5334 11.5334 11.8207 11.8207 13.1757 13.1757 13.6028 13.6028 14.3281 14.3281 14.6267 14.6267 15.3163 15.3163 16.9924 16.9924 18.4208 18.4208 18.6143 18.6143 18.9100 18.9100 k = 0.1321 0.2288-0.0000 ( 3733 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1908 -43.1908 -29.9528 -29.9528 -29.7327 -29.7327 -29.6807 -29.6807 -29.6575 -29.6575 2.9335 2.9335 5.8422 5.8422 9.0215 9.0215 9.8455 9.8455 9.9727 9.9727 10.4279 10.4279 11.2168 11.2168 11.5402 11.5402 11.8688 11.8688 13.1525 13.1525 13.6834 13.6834 14.3404 14.3404 14.6431 14.6431 15.3779 15.3779 17.0728 17.0728 18.4437 18.4437 18.6654 18.6654 18.9117 18.9117 k = 0.1258 0.2179-0.0000 ( 3729 PWs) bands (ev): -76.3299 -76.3299 -76.3116 -76.3116 -43.2444 -43.2444 -43.1907 -43.1907 -29.9529 -29.9529 -29.7323 -29.7323 -29.6805 -29.6805 -29.6574 -29.6574 2.8701 2.8701 5.8753 5.8753 8.9474 8.9474 9.8722 9.8722 9.9885 9.9885 10.4080 10.4080 11.2209 11.2209 11.5491 11.5491 11.9177 11.9177 13.1310 13.1310 13.7645 13.7645 14.3549 14.3549 14.6598 14.6598 15.4394 15.4394 17.1480 17.1480 18.4482 18.4482 18.7362 18.7362 18.9055 18.9055 k = 0.1195 0.2070-0.0000 ( 3725 PWs) bands (ev): -76.3300 -76.3300 -76.3116 -76.3116 -43.2443 -43.2443 -43.1907 -43.1907 -29.9529 -29.9529 -29.7319 -29.7319 -29.6802 -29.6802 -29.6573 -29.6573 2.8093 2.8093 5.9084 5.9084 8.8762 8.8762 9.8869 9.8869 10.0099 10.0099 10.3798 10.3798 11.2340 11.2340 11.5597 11.5597 11.9670 11.9670 13.1114 13.1114 13.8444 13.8444 14.3725 14.3725 14.6772 14.6772 15.5003 15.5003 17.2179 17.2179 18.4438 18.4438 18.8087 18.8087 18.9012 18.9012 k = 0.1132 0.1961-0.0000 ( 3727 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2443 -43.2443 -43.1906 -43.1906 -29.9529 -29.9529 -29.7315 -29.7315 -29.6800 -29.6800 -29.6572 -29.6572 2.7513 2.7513 5.9414 5.9414 8.8080 8.8080 9.8927 9.8927 10.0347 10.0347 10.3454 10.3454 11.2542 11.2542 11.5719 11.5719 12.0160 12.0160 13.0938 13.0938 13.9208 13.9208 14.3941 14.3941 14.6961 14.6961 15.5605 15.5605 17.2825 17.2825 18.4358 18.4358 18.8300 18.8300 18.9475 18.9475 k = 0.1069 0.1852-0.0000 ( 3731 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2443 -43.2443 -43.1906 -43.1906 -29.9529 -29.9529 -29.7311 -29.7311 -29.6798 -29.6798 -29.6572 -29.6572 2.6961 2.6961 5.9743 5.9743 8.7430 8.7430 9.8930 9.8930 10.0596 10.0596 10.3064 10.3064 11.2795 11.2795 11.5854 11.5854 12.0646 12.0646 13.0783 13.0783 13.9912 13.9912 14.4205 14.4205 14.7173 14.7173 15.6196 15.6196 17.3421 17.3421 18.4268 18.4268 18.8044 18.8044 19.0392 19.0392 k = 0.1006 0.1743-0.0000 ( 3737 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2443 -43.2443 -43.1905 -43.1905 -29.9530 -29.9530 -29.7308 -29.7308 -29.6796 -29.6796 -29.6571 -29.6571 2.6438 2.6438 6.0067 6.0067 8.6812 8.6812 9.8901 9.8901 10.0831 10.0831 10.2645 10.2645 11.3083 11.3083 11.6001 11.6001 12.1120 12.1120 13.0650 13.0650 14.0532 14.0532 14.4522 14.4522 14.7419 14.7419 15.6777 15.6777 17.3968 17.3968 18.4181 18.4181 18.7661 18.7661 19.1420 19.1420 k = 0.0943 0.1634-0.0000 ( 3729 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2443 -43.2443 -43.1904 -43.1904 -29.9530 -29.9530 -29.7304 -29.7304 -29.6793 -29.6793 -29.6570 -29.6570 2.5945 2.5945 6.0385 6.0385 8.6228 8.6228 9.8851 9.8851 10.1044 10.1044 10.2211 10.2211 11.3392 11.3392 11.6156 11.6156 12.1580 12.1580 13.0543 13.0543 14.1050 14.1050 14.4886 14.4886 14.7716 14.7716 15.7349 15.7349 17.4467 17.4467 18.4102 18.4102 18.7217 18.7217 19.2499 19.2499 k = 0.0881 0.1525-0.0000 ( 3729 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2443 -43.2443 -43.1904 -43.1904 -29.9530 -29.9530 -29.7301 -29.7301 -29.6791 -29.6791 -29.6570 -29.6570 2.5481 2.5481 6.0697 6.0697 8.5678 8.5678 9.8788 9.8788 10.1232 10.1232 10.1774 10.1774 11.3709 11.3709 11.6317 11.6317 12.2019 12.2020 13.0460 13.0460 14.1464 14.1464 14.5270 14.5270 14.8079 14.8079 15.7912 15.7912 17.4920 17.4920 18.4032 18.4032 18.6738 18.6738 19.3612 19.3612 k = 0.0818 0.1416-0.0000 ( 3717 PWs) bands (ev): -76.3300 -76.3300 -76.3117 -76.3117 -43.2442 -43.2442 -43.1903 -43.1903 -29.9530 -29.9530 -29.7297 -29.7297 -29.6789 -29.6789 -29.6569 -29.6569 2.5047 2.5047 6.0999 6.0999 8.5162 8.5162 9.8717 9.8717 10.1305 10.1305 10.1432 10.1432 11.4025 11.4025 11.6483 11.6483 12.2435 12.2435 13.0404 13.0404 14.1785 14.1785 14.5641 14.5641 14.8516 14.8516 15.8470 15.8470 17.5331 17.5331 18.3969 18.3969 18.6246 18.6246 19.4749 19.4749 k = 0.0755 0.1307-0.0000 ( 3709 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2442 -43.2442 -43.1902 -43.1902 -29.9530 -29.9530 -29.7294 -29.7294 -29.6787 -29.6787 -29.6568 -29.6568 2.4644 2.4644 6.1290 6.1290 8.4683 8.4683 9.8640 9.8640 10.0903 10.0903 10.1555 10.1555 11.4331 11.4331 11.6651 11.6651 12.2821 12.2821 13.0374 13.0374 14.2032 14.2032 14.5972 14.5972 14.9022 14.9022 15.9027 15.9027 17.5699 17.5699 18.3900 18.3900 18.5764 18.5764 19.5902 19.5902 k = 0.0692 0.1198-0.0000 ( 3705 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2442 -43.2442 -43.1901 -43.1901 -29.9530 -29.9530 -29.7291 -29.7291 -29.6785 -29.6785 -29.6568 -29.6568 2.4272 2.4272 6.1568 6.1568 8.4240 8.4240 9.8561 9.8561 10.0497 10.0497 10.1679 10.1679 11.4622 11.4622 11.6820 11.6820 12.3175 12.3175 13.0370 13.0370 14.2223 14.2223 14.6253 14.6253 14.9572 14.9572 15.9586 15.9586 17.6028 17.6028 18.3805 18.3805 18.5324 18.5324 19.7060 19.7060 k = 0.0629 0.1089-0.0000 ( 3703 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2442 -43.2442 -43.1900 -43.1900 -29.9530 -29.9530 -29.7288 -29.7288 -29.6784 -29.6784 -29.6567 -29.6567 2.3931 2.3931 6.1831 6.1831 8.3833 8.3833 9.8481 9.8481 10.0111 10.0111 10.1787 10.1787 11.4891 11.4891 11.6987 11.6987 12.3493 12.3493 13.0390 13.0390 14.2373 14.2373 14.6489 14.6489 15.0135 15.0135 16.0149 16.0149 17.6319 17.6319 18.3653 18.3653 18.4964 18.4964 19.8215 19.8215 k = 0.0566 0.0980-0.0000 ( 3699 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1900 -43.1900 -29.9530 -29.9530 -29.7285 -29.7285 -29.6782 -29.6782 -29.6567 -29.6567 2.3622 2.3622 6.2077 6.2077 8.3464 8.3464 9.8403 9.8403 9.9751 9.9751 10.1880 10.1880 11.5136 11.5136 11.7152 11.7152 12.3775 12.3775 13.0431 13.0431 14.2494 14.2494 14.6687 14.6687 15.0680 15.0680 16.0717 16.0717 17.6575 17.6575 18.3414 18.3414 18.4722 18.4722 19.9355 19.9355 k = 0.0503 0.0871-0.0000 ( 3695 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1899 -43.1899 -29.9530 -29.9530 -29.7283 -29.7283 -29.6781 -29.6781 -29.6566 -29.6566 2.3345 2.3345 6.2304 6.2304 8.3133 8.3133 9.8327 9.8327 9.9422 9.9422 10.1959 10.1959 11.5354 11.5354 11.7311 11.7311 12.4020 12.4020 13.0491 13.0491 14.2591 14.2591 14.6856 14.6856 15.1182 15.1182 16.1285 16.1285 17.6797 17.6797 18.3103 18.3103 18.4587 18.4587 20.0466 20.0466 k = 0.0440 0.0763-0.0000 ( 3691 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1899 -43.1899 -29.9530 -29.9530 -29.7281 -29.7281 -29.6779 -29.6779 -29.6566 -29.6566 2.3100 2.3100 6.2509 6.2509 8.2840 8.2840 9.8253 9.8253 9.9127 9.9127 10.2025 10.2025 11.5545 11.5545 11.7462 11.7462 12.4229 12.4229 13.0563 13.0563 14.2669 14.2669 14.7000 14.7000 15.1626 15.1626 16.1846 16.1846 17.6987 17.6987 18.2765 18.2765 18.4519 18.4519 20.1536 20.1536 k = 0.0377 0.0654-0.0000 ( 3687 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1899 -43.1899 -29.9530 -29.9530 -29.7279 -29.7279 -29.6778 -29.6778 -29.6565 -29.6565 2.2887 2.2887 6.2692 6.2692 8.2585 8.2585 9.8183 9.8183 9.8870 9.8870 10.2080 10.2080 11.5707 11.5707 11.7602 11.7602 12.4403 12.4403 13.0643 13.0643 14.2733 14.2733 14.7125 14.7125 15.2004 15.2004 16.2386 16.2386 17.7147 17.7147 18.2438 18.2438 18.4485 18.4485 20.2557 20.2557 k = 0.0314 0.0545-0.0000 ( 3685 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1898 -43.1898 -29.9530 -29.9530 -29.7278 -29.7278 -29.6778 -29.6778 -29.6565 -29.6565 2.2706 2.2706 6.2850 6.2850 8.2369 8.2369 9.8115 9.8115 9.8655 9.8655 10.2125 10.2125 11.5841 11.5841 11.7726 11.7726 12.4543 12.4543 13.0723 13.0723 14.2786 14.2786 14.7231 14.7231 15.2315 15.2315 16.2888 16.2888 17.7279 17.7279 18.2144 18.2144 18.4468 18.4468 20.3527 20.3527 k = 0.0252 0.0436-0.0000 ( 3685 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2441 -43.2441 -43.1898 -43.1898 -29.9530 -29.9530 -29.7277 -29.7277 -29.6777 -29.6777 -29.6565 -29.6565 2.2559 2.2559 6.2981 6.2981 8.2192 8.2192 9.8048 9.8048 9.8486 9.8486 10.2160 10.2160 11.5949 11.5949 11.7833 11.7833 12.4654 12.4654 13.0799 13.0799 14.2826 14.2826 14.7318 14.7318 15.2559 15.2559 16.3334 16.3334 17.7384 17.7384 18.1895 18.1895 18.4458 18.4458 20.4454 20.4454 k = 0.0189 0.0327-0.0000 ( 3681 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2440 -43.2440 -43.1898 -43.1898 -29.9530 -29.9530 -29.7276 -29.7276 -29.6776 -29.6776 -29.6564 -29.6564 2.2443 2.2443 6.3085 6.3085 8.2054 8.2054 9.7984 9.7984 9.8365 9.8365 10.2187 10.2187 11.6031 11.6031 11.7920 11.7920 12.4738 12.4738 13.0865 13.0865 14.2857 14.2857 14.7387 14.7387 15.2741 15.2741 16.3706 16.3706 17.7465 17.7465 18.1698 18.1698 18.4451 18.4451 20.5348 20.5348 k = 0.0126 0.0218-0.0000 ( 3681 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2361 2.2361 6.3160 6.3160 8.1955 8.1955 9.7929 9.7929 9.8286 9.8286 10.2205 10.2205 11.6089 11.6089 11.7983 11.7983 12.4796 12.4796 13.0916 13.0916 14.2878 14.2878 14.7436 14.7436 15.2867 15.2867 16.3985 16.3985 17.7522 17.7522 18.1556 18.1556 18.4446 18.4446 20.6192 20.6192 k = 0.0063 0.0109-0.0000 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2312 2.2312 6.3205 6.3205 8.1896 8.1896 9.7891 9.7891 9.8243 9.8243 10.2216 10.2216 11.6124 11.6124 11.8022 11.8022 12.4830 12.4830 13.0948 13.0948 14.2891 14.2891 14.7466 14.7466 15.2940 15.2940 16.4158 16.4158 17.7556 17.7556 18.1470 18.1470 18.4444 18.4444 20.6901 20.6901 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2295 2.2295 6.3220 6.3220 8.1876 8.1876 9.7877 9.7877 9.8229 9.8229 10.2220 10.2220 11.6135 11.6135 11.8035 11.8035 12.4842 12.4842 13.0959 13.0959 14.2895 14.2895 14.7476 14.7476 15.2965 15.2965 16.4216 16.4216 17.7567 17.7567 18.1442 18.1442 18.4443 18.4443 20.7217 20.7217 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1898 -43.1898 -29.9530 -29.9530 -29.7275 -29.7275 -29.6775 -29.6775 -29.6564 -29.6564 2.2295 2.2295 6.3220 6.3220 8.1876 8.1876 9.7877 9.7877 9.8229 9.8229 10.2220 10.2220 11.6135 11.6135 11.8035 11.8035 12.4842 12.4842 13.0959 13.0959 14.2895 14.2895 14.7476 14.7476 15.2965 15.2965 16.4216 16.4216 17.7567 17.7567 18.1442 18.1442 18.4443 18.4443 20.7217 20.7217 k = 0.0000 0.0000 0.0124 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2439 -43.2439 -43.1899 -43.1899 -29.9528 -29.9528 -29.7274 -29.7274 -29.6775 -29.6775 -29.6567 -29.6567 2.2312 2.2312 6.3102 6.3102 8.2008 8.2008 9.7891 9.7891 9.8242 9.8242 10.2241 10.2241 11.6140 11.6140 11.8046 11.8046 12.4823 12.4823 13.0903 13.0903 14.2813 14.2813 14.7402 14.7402 15.3089 15.3089 16.4306 16.4306 17.7343 17.7343 18.1340 18.1340 18.4631 18.4631 20.7200 20.7200 k = 0.0000 0.0000 0.0248 ( 3679 PWs) bands (ev): -76.3299 -76.3299 -76.3117 -76.3117 -43.2437 -43.2437 -43.1900 -43.1900 -29.9522 -29.9522 -29.7273 -29.7273 -29.6776 -29.6776 -29.6573 -29.6573 2.2360 2.2360 6.2757 6.2757 8.2392 8.2392 9.7934 9.7934 9.8282 9.8282 10.2305 10.2305 11.6156 11.6156 11.8082 11.8082 12.4766 12.4766 13.0737 13.0737 14.2580 14.2580 14.7186 14.7186 15.3450 15.3450 16.4570 16.4570 17.6732 17.6732 18.1039 18.1039 18.5137 18.5137 20.7151 20.7151 k = 0.0000 0.0000 0.0373 ( 3673 PWs) bands (ev): -76.3298 -76.3298 -76.3118 -76.3118 -43.2435 -43.2435 -43.1901 -43.1901 -29.9511 -29.9511 -29.7271 -29.7271 -29.6778 -29.6778 -29.6584 -29.6584 2.2441 2.2441 6.2212 6.2212 8.3004 8.3004 9.8006 9.8006 9.8348 9.8348 10.2410 10.2410 11.6180 11.6180 11.8140 11.8140 12.4673 12.4673 13.0464 13.0464 14.2228 14.2228 14.6841 14.6841 15.4013 15.4013 16.4995 16.4995 17.5852 17.5852 18.0550 18.0550 18.5845 18.5845 20.7069 20.7069 k = 0.0000 0.0000 0.0497 ( 3673 PWs) bands (ev): -76.3297 -76.3297 -76.3119 -76.3119 -43.2433 -43.2433 -43.1904 -43.1904 -29.9497 -29.9497 -29.7269 -29.7269 -29.6781 -29.6781 -29.6600 -29.6600 2.2555 2.2555 6.1501 6.1501 8.3808 8.3808 9.8106 9.8106 9.8439 9.8439 10.2558 10.2558 11.6212 11.6212 11.8222 11.8222 12.4547 12.4547 13.0090 13.0090 14.1789 14.1789 14.6384 14.6384 15.4738 15.4738 16.5563 16.5563 17.4798 17.4798 17.9893 17.9893 18.6664 18.6664 20.6953 20.6953 k = 0.0000 0.0000 0.0621 ( 3673 PWs) bands (ev): -76.3296 -76.3296 -76.3120 -76.3120 -43.2429 -43.2429 -43.1908 -43.1908 -29.9478 -29.9478 -29.7266 -29.7266 -29.6784 -29.6784 -29.6620 -29.6620 2.2700 2.2700 6.0659 6.0659 8.4767 8.4767 9.8235 9.8235 9.8557 9.8557 10.2746 10.2746 11.6250 11.6250 11.8327 11.8327 12.4390 12.4390 12.9620 12.9620 14.1296 14.1296 14.5835 14.5835 15.5585 15.5585 16.6252 16.6252 17.3630 17.3630 17.9088 17.9088 18.7537 18.7537 20.6805 20.6805 k = 0.0000 0.0000 0.0745 ( 3673 PWs) bands (ev): -76.3295 -76.3295 -76.3122 -76.3122 -43.2425 -43.2425 -43.1912 -43.1912 -29.9455 -29.9455 -29.7262 -29.7262 -29.6788 -29.6788 -29.6644 -29.6644 2.2878 2.2878 5.9718 5.9718 8.5850 8.5850 9.8392 9.8392 9.8701 9.8701 10.2974 10.2974 11.6290 11.6290 11.8455 11.8455 12.4208 12.4208 12.9065 12.9065 14.0771 14.0771 14.5214 14.5214 15.6522 15.6522 16.7044 16.7044 17.2382 17.2382 17.8160 17.8160 18.8437 18.8437 20.6623 20.6623 k = 0.0000 0.0000 0.0870 ( 3679 PWs) bands (ev): -76.3293 -76.3293 -76.3123 -76.3123 -43.2420 -43.2420 -43.1917 -43.1917 -29.9428 -29.9428 -29.7257 -29.7257 -29.6793 -29.6793 -29.6673 -29.6673 2.3088 2.3088 5.8703 5.8703 8.7030 8.7030 9.8578 9.8578 9.8870 9.8870 10.3243 10.3243 11.6327 11.6327 11.8606 11.8606 12.4007 12.4007 12.8432 12.8432 14.0226 14.0226 14.4535 14.4535 15.7522 15.7522 16.7920 16.7920 17.1077 17.1077 17.7133 17.7133 18.9348 18.9348 20.6408 20.6408 k = 0.0000 0.0000 0.0994 ( 3667 PWs) bands (ev): -76.3291 -76.3291 -76.3125 -76.3125 -43.2413 -43.2413 -43.1923 -43.1923 -29.9397 -29.9397 -29.7252 -29.7252 -29.6798 -29.6798 -29.6706 -29.6706 2.3330 2.3330 5.7636 5.7636 8.8284 8.8284 9.8792 9.8792 9.9065 9.9065 10.3548 10.3548 11.6358 11.6358 11.8781 11.8781 12.3795 12.3795 12.7733 12.7733 13.9674 13.9674 14.3816 14.3816 15.8560 15.8560 16.8865 16.8865 16.9733 16.9733 17.6036 17.6036 19.0262 19.0262 20.6160 20.6160 k = 0.0000 0.0000 0.1118 ( 3679 PWs) bands (ev): -76.3289 -76.3289 -76.3128 -76.3128 -43.2407 -43.2407 -43.1929 -43.1929 -29.9363 -29.9363 -29.7246 -29.7246 -29.6805 -29.6805 -29.6743 -29.6743 2.3603 2.3603 5.6532 5.6532 8.9594 8.9594 9.9034 9.9034 9.9286 9.9286 10.3889 10.3889 11.6373 11.6373 11.8978 11.8978 12.3580 12.3580 12.6977 12.6977 13.9116 13.9116 14.3067 14.3067 15.9612 15.9612 16.8358 16.8358 16.9866 16.9866 17.4897 17.4897 19.1176 19.1176 20.5877 20.5877 k = 0.0000 0.0000 0.1242 ( 3679 PWs) bands (ev): -76.3286 -76.3286 -76.3130 -76.3130 -43.2401 -43.2401 -43.1935 -43.1935 -29.9325 -29.9325 -29.7239 -29.7239 -29.6812 -29.6812 -29.6783 -29.6783 2.3908 2.3908 5.5404 5.5404 9.0945 9.0945 9.9304 9.9304 9.9531 9.9531 10.4265 10.4265 11.6365 11.6365 11.9198 11.9198 12.3373 12.3373 12.6176 12.6176 13.8555 13.8555 14.2297 14.2297 16.0646 16.0646 16.6963 16.6963 17.0914 17.0914 17.3753 17.3753 19.2090 19.2090 20.5560 20.5560 k = 0.0000 0.0000 0.1367 ( 3685 PWs) bands (ev): -76.3284 -76.3284 -76.3133 -76.3133 -43.2393 -43.2393 -43.1944 -43.1944 -29.9283 -29.9283 -29.7232 -29.7232 -29.6827 -29.6827 -29.6819 -29.6819 2.4245 2.4245 5.4261 5.4261 9.2327 9.2327 9.9602 9.9602 9.9800 9.9800 10.4673 10.4673 11.6325 11.6325 11.9440 11.9440 12.3188 12.3188 12.5337 12.5337 13.7991 13.7991 14.1511 14.1511 16.1617 16.1617 16.5558 16.5558 17.1998 17.1998 17.2656 17.2656 19.3004 19.3004 20.5208 20.5208 k = 0.0000 0.0000 0.1491 ( 3709 PWs) bands (ev): -76.3281 -76.3281 -76.3136 -76.3136 -43.2386 -43.2386 -43.1953 -43.1953 -29.9237 -29.9237 -29.7224 -29.7224 -29.6876 -29.6876 -29.6827 -29.6827 2.4613 2.4613 5.3110 5.3110 9.3728 9.3728 9.9928 9.9928 10.0094 10.0094 10.5108 10.5108 11.6243 11.6243 11.9704 11.9704 12.3037 12.3037 12.4469 12.4469 13.7423 13.7423 14.0717 14.0717 16.2449 16.2449 16.4151 16.4151 17.1688 17.1688 17.3112 17.3112 19.3919 19.3919 20.4821 20.4821 k = 0.0000 0.0000 0.1615 ( 3709 PWs) bands (ev): -76.3278 -76.3278 -76.3139 -76.3139 -43.2376 -43.2376 -43.1962 -43.1962 -29.9188 -29.9188 -29.7216 -29.7216 -29.6928 -29.6928 -29.6836 -29.6836 2.5012 2.5012 5.1957 5.1957 9.5140 9.5140 10.0283 10.0283 10.0413 10.0413 10.5571 10.5571 11.6109 11.6109 11.9992 11.9992 12.2932 12.2932 12.3580 12.3580 13.6852 13.6852 13.9919 13.9919 16.2752 16.2752 16.3015 16.3015 17.0980 17.0980 17.4249 17.4249 19.4839 19.4839 20.4397 20.4397 k = 0.0000 0.0000 0.1739 ( 3691 PWs) bands (ev): -76.3274 -76.3274 -76.3142 -76.3142 -43.2365 -43.2365 -43.1971 -43.1971 -29.9136 -29.9136 -29.7207 -29.7207 -29.6982 -29.6982 -29.6845 -29.6845 2.5442 2.5442 5.0807 5.0807 9.6553 9.6553 10.0666 10.0666 10.0754 10.0754 10.6058 10.6058 11.5917 11.5917 12.0302 12.0302 12.2675 12.2675 12.2883 12.2883 13.6278 13.6278 13.9121 13.9121 16.1368 16.1368 16.3156 16.3156 17.0701 17.0701 17.5406 17.5406 19.5763 19.5763 20.3687 20.3687 k = 0.0000 0.0000 0.1863 ( 3691 PWs) bands (ev): -76.3271 -76.3271 -76.3146 -76.3146 -43.2355 -43.2355 -43.1982 -43.1982 -29.9080 -29.9080 -29.7197 -29.7197 -29.7040 -29.7040 -29.6854 -29.6854 2.5902 2.5902 4.9664 4.9664 9.7957 9.7957 10.1078 10.1078 10.1119 10.1119 10.6562 10.6562 11.5661 11.5661 12.0634 12.0634 12.1761 12.1761 12.2897 12.2897 13.5700 13.5700 13.8324 13.8324 16.0008 16.0008 16.2792 16.2792 17.0935 17.0935 17.6575 17.6575 19.6695 19.6695 20.2916 20.2916 k = 0.0000 0.0000 0.1988 ( 3691 PWs) bands (ev): -76.3267 -76.3267 -76.3150 -76.3150 -43.2344 -43.2344 -43.1992 -43.1992 -29.9022 -29.9022 -29.7187 -29.7187 -29.7102 -29.7102 -29.6864 -29.6864 2.6392 2.6392 4.8530 4.8530 9.9342 9.9342 10.1506 10.1506 10.1521 10.1521 10.7080 10.7080 11.5343 11.5343 12.0841 12.0841 12.0988 12.0988 12.2977 12.2977 13.5118 13.5118 13.7532 13.7532 15.8682 15.8682 16.2015 16.2015 17.1597 17.1597 17.7755 17.7755 19.7633 19.7633 20.2102 20.2102 k = 0.0000 0.0000 0.2112 ( 3679 PWs) bands (ev): -76.3263 -76.3263 -76.3153 -76.3153 -43.2331 -43.2331 -43.2004 -43.2004 -29.8960 -29.8960 -29.7177 -29.7177 -29.7165 -29.7165 -29.6874 -29.6874 2.6913 2.6913 4.7407 4.7407 10.0691 10.0691 10.1915 10.1915 10.2003 10.2003 10.7606 10.7606 11.4966 11.4966 11.9922 11.9922 12.1364 12.1364 12.3121 12.3121 13.4533 13.4533 13.6747 13.6747 15.7400 15.7400 16.0985 16.0985 17.2534 17.2534 17.8940 17.8940 19.8569 19.8569 20.1259 20.1259 k = 0.0000 0.0000 0.2236 ( 3691 PWs) bands (ev): -76.3259 -76.3259 -76.3157 -76.3157 -43.2321 -43.2321 -43.2015 -43.2015 -29.8896 -29.8896 -29.7232 -29.7232 -29.7166 -29.7166 -29.6886 -29.6886 2.7463 2.7463 4.6299 4.6299 10.1943 10.1943 10.2345 10.2345 10.2575 10.2575 10.8132 10.8132 11.4535 11.4535 11.9005 11.9005 12.1761 12.1761 12.3325 12.3325 13.3944 13.3944 13.5969 13.5969 15.6171 15.6171 15.9823 15.9823 17.3630 17.3630 18.0128 18.0128 19.9402 19.9402 20.0489 20.0489 k = 0.0000 0.0000 0.2360 ( 3691 PWs) bands (ev): -76.3255 -76.3255 -76.3162 -76.3162 -43.2308 -43.2308 -43.2028 -43.2028 -29.8830 -29.8830 -29.7301 -29.7301 -29.7154 -29.7154 -29.6897 -29.6897 2.8043 2.8043 4.5206 4.5206 10.2796 10.2796 10.2821 10.2821 10.3504 10.3504 10.8652 10.8652 11.4060 11.4060 11.8096 11.8096 12.2181 12.2181 12.3584 12.3584 13.3354 13.3354 13.5201 13.5201 15.5007 15.5007 15.8605 15.8605 17.4820 17.4820 18.1316 18.1316 19.9174 19.9174 20.0758 20.0758 k = 0.0000 0.0000 0.2485 ( 3691 PWs) bands (ev): -76.3251 -76.3251 -76.3166 -76.3166 -43.2295 -43.2295 -43.2040 -43.2040 -29.8761 -29.8761 -29.7372 -29.7372 -29.7142 -29.7142 -29.6909 -29.6909 2.8652 2.8652 4.4130 4.4130 10.3266 10.3266 10.3423 10.3423 10.4682 10.4682 10.9155 10.9155 11.3548 11.3548 11.7197 11.7197 12.2622 12.2622 12.3894 12.3894 13.2761 13.2761 13.4443 13.4443 15.3920 15.3920 15.7375 15.7375 17.6066 17.6066 18.2499 18.2499 19.8248 19.8248 20.0382 20.0382 k = 0.0000 0.0000 0.2609 ( 3697 PWs) bands (ev): -76.3247 -76.3247 -76.3170 -76.3170 -43.2282 -43.2282 -43.2054 -43.2054 -29.8690 -29.8690 -29.7445 -29.7445 -29.7130 -29.7130 -29.6921 -29.6921 2.9290 2.9290 4.3073 4.3073 10.3756 10.3756 10.4003 10.4003 10.5841 10.5841 10.9630 10.9630 11.3005 11.3005 11.6313 11.6313 12.3085 12.3085 12.4248 12.4248 13.2168 13.2168 13.3697 13.3697 15.2923 15.2923 15.6166 15.6166 17.7347 17.7347 18.3676 18.3676 19.7228 19.7228 19.9655 19.9655 k = 0.0000 0.0000 0.2733 ( 3691 PWs) bands (ev): -76.3242 -76.3242 -76.3175 -76.3175 -43.2268 -43.2268 -43.2067 -43.2067 -29.8617 -29.8617 -29.7520 -29.7520 -29.7118 -29.7118 -29.6934 -29.6934 2.9956 2.9956 4.2034 4.2034 10.4263 10.4263 10.4597 10.4597 10.6935 10.6935 11.0063 11.0063 11.2439 11.2439 11.5449 11.5449 12.3569 12.3569 12.4643 12.4643 13.1573 13.1573 13.2963 13.2963 15.2029 15.2029 15.5002 15.5002 17.8649 17.8649 18.4844 18.4844 19.6160 19.6160 19.8890 19.8890 k = 0.0000 0.0000 0.2857 ( 3691 PWs) bands (ev): -76.3237 -76.3237 -76.3179 -76.3179 -43.2254 -43.2254 -43.2081 -43.2081 -29.8543 -29.8543 -29.7596 -29.7596 -29.7105 -29.7105 -29.6946 -29.6946 3.0650 3.0650 4.1017 4.1017 10.4787 10.4787 10.5209 10.5209 10.7945 10.7945 11.0437 11.0437 11.1855 11.1855 11.4611 11.4611 12.4073 12.4073 12.5074 12.5074 13.0979 13.0979 13.2244 13.2244 15.1251 15.1251 15.3904 15.3904 17.9962 17.9962 18.5999 18.5999 19.5053 19.5053 19.8088 19.8088 k = 0.0000 0.0000 0.2981 ( 3697 PWs) bands (ev): -76.3233 -76.3233 -76.3184 -76.3184 -43.2240 -43.2240 -43.2095 -43.2095 -29.8467 -29.8467 -29.7674 -29.7674 -29.7093 -29.7093 -29.6959 -29.6959 3.1372 3.1372 4.0020 4.0020 10.5327 10.5327 10.5842 10.5842 10.8856 10.8856 11.0725 11.0725 11.1258 11.1258 11.3816 11.3816 12.4596 12.4596 12.5538 12.5538 13.0385 13.0385 13.1539 13.1539 15.0604 15.0604 15.2891 15.2891 18.1281 18.1281 18.7140 18.7140 19.3912 19.3912 19.7249 19.7249 k = 0.0000 0.0000 0.3106 ( 3703 PWs) bands (ev): -76.3228 -76.3228 -76.3189 -76.3189 -43.2226 -43.2226 -43.2110 -43.2110 -29.8390 -29.8390 -29.7752 -29.7752 -29.7080 -29.7080 -29.6973 -29.6973 3.2121 3.2121 3.9046 3.9046 10.5881 10.5881 10.6494 10.6494 10.9657 10.9657 11.0653 11.0653 11.0882 11.0882 11.3094 11.3094 12.5136 12.5136 12.6033 12.6033 12.9790 12.9790 13.0850 13.0850 15.0101 15.0101 15.1982 15.1982 18.2601 18.2601 18.8264 18.8264 19.2740 19.2740 19.6374 19.6374 k = 0.0000 0.0000 0.3230 ( 3697 PWs) bands (ev): -76.3223 -76.3223 -76.3194 -76.3194 -43.2212 -43.2212 -43.2124 -43.2124 -29.8311 -29.8311 -29.7831 -29.7831 -29.7067 -29.7067 -29.6986 -29.6986 3.2897 3.2897 3.8095 3.8095 10.6450 10.6450 10.7165 10.7165 11.0043 11.0043 11.0341 11.0341 11.0827 11.0827 11.2517 11.2517 12.5692 12.5692 12.6555 12.6555 12.9196 12.9196 13.0177 13.0177 14.9753 14.9753 15.1196 15.1196 18.3916 18.3916 18.9369 18.9369 19.1541 19.1541 19.5464 19.5464 k = 0.0000 0.0000 0.3354 ( 3710 PWs) bands (ev): -76.3219 -76.3219 -76.3199 -76.3199 -43.2197 -43.2197 -43.2139 -43.2139 -29.8232 -29.8232 -29.7912 -29.7912 -29.7054 -29.7054 -29.6999 -29.6999 3.3700 3.3700 3.7166 3.7166 10.7029 10.7029 10.7851 10.7851 10.9432 10.9432 11.0478 11.0478 11.0901 11.0901 11.2150 11.2150 12.6260 12.6260 12.7103 12.7103 12.8603 12.8603 12.9522 12.9522 14.9570 14.9570 15.0548 15.0548 18.5223 18.5223 19.0316 19.0316 19.0451 19.0451 19.4521 19.4521 k = 0.0000 0.0000 0.3478 ( 3710 PWs) bands (ev): -76.3214 -76.3214 -76.3204 -76.3204 -43.2183 -43.2183 -43.2154 -43.2154 -29.8152 -29.8152 -29.7992 -29.7992 -29.7040 -29.7040 -29.7013 -29.7013 3.4529 3.4529 3.6262 3.6262 10.7619 10.7619 10.8546 10.8546 10.8823 10.8823 10.9906 10.9906 11.1340 11.1340 11.1913 11.1913 12.6837 12.6837 12.7675 12.7675 12.8011 12.8011 12.8886 12.8886 14.9559 14.9559 15.0052 15.0052 18.6520 18.6520 18.9069 18.9069 19.1510 19.1510 19.3547 19.3547 k = 0.0000 0.0000 0.3603 ( 3710 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7026 -29.7026 -29.7026 -29.7026 3.5383 3.5383 3.5383 3.5383 10.8218 10.8218 10.8218 10.8218 10.9240 10.9240 10.9240 10.9240 11.1667 11.1667 11.1667 11.1667 12.7422 12.7422 12.7422 12.7422 12.8270 12.8270 12.8270 12.8270 14.9720 14.9720 14.9720 14.9720 18.7803 18.7803 18.7803 18.7803 19.2543 19.2543 19.2543 19.2543 k = 0.0000 0.0000 0.3603 ( 3710 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7026 -29.7026 -29.7026 -29.7026 3.5383 3.5383 3.5383 3.5383 10.8218 10.8218 10.8218 10.8218 10.9240 10.9240 10.9240 10.9240 11.1667 11.1667 11.1667 11.1667 12.7422 12.7422 12.7422 12.7422 12.8270 12.8270 12.8270 12.8270 14.9720 14.9720 14.9720 14.9720 18.7803 18.7803 18.7803 18.7803 19.2543 19.2543 19.2543 19.2543 k = 0.0109 0.0063 0.3603 ( 3702 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7026 -29.7026 -29.7026 -29.7026 3.5396 3.5396 3.5396 3.5396 10.8180 10.8180 10.8180 10.8180 10.9209 10.9209 10.9209 10.9209 11.1710 11.1710 11.1710 11.1710 12.7405 12.7405 12.7405 12.7405 12.8283 12.8283 12.8283 12.8283 14.9761 14.9761 14.9761 14.9761 18.7728 18.7728 18.7728 18.7728 19.2478 19.2478 19.2478 19.2478 k = 0.0217 0.0126 0.3603 ( 3702 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7027 -29.7027 -29.7027 -29.7027 3.5436 3.5436 3.5436 3.5436 10.8058 10.8058 10.8058 10.8058 10.9135 10.9135 10.9135 10.9135 11.1828 11.1828 11.1828 11.1828 12.7357 12.7357 12.7357 12.7357 12.8318 12.8318 12.8318 12.8318 14.9881 14.9881 14.9881 14.9881 18.7502 18.7502 18.7502 18.7502 19.2288 19.2288 19.2288 19.2288 k = 0.0326 0.0188 0.3603 ( 3688 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2167 -43.2167 -43.2167 -43.2167 -29.8072 -29.8072 -29.8072 -29.8072 -29.7027 -29.7027 -29.7027 -29.7027 3.5502 3.5502 3.5502 3.5502 10.7839 10.7839 10.7839 10.7839 10.9056 10.9056 10.9056 10.9056 11.1997 11.1997 11.1997 11.1997 12.7285 12.7285 12.7285 12.7285 12.8370 12.8370 12.8370 12.8370 15.0080 15.0080 15.0080 15.0080 18.7123 18.7123 18.7123 18.7123 19.1991 19.1991 19.1991 19.1991 k = 0.0435 0.0251 0.3603 ( 3688 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2167 -43.2167 -43.2167 -43.2167 -29.8072 -29.8072 -29.8072 -29.8072 -29.7028 -29.7028 -29.7028 -29.7028 3.5594 3.5594 3.5594 3.5594 10.7522 10.7522 10.7522 10.7522 10.8998 10.8998 10.8998 10.8998 11.2193 11.2193 11.2193 11.2193 12.7195 12.7195 12.7195 12.7195 12.8432 12.8432 12.8432 12.8432 15.0355 15.0355 15.0355 15.0355 18.6588 18.6588 18.6588 18.6588 19.1608 19.1608 19.1608 19.1608 k = 0.0543 0.0314 0.3603 ( 3696 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7029 -29.7029 -29.7029 -29.7029 3.5712 3.5712 3.5712 3.5712 10.7123 10.7123 10.7123 10.7123 10.8963 10.8963 10.8963 10.8963 11.2400 11.2400 11.2400 11.2400 12.7091 12.7091 12.7091 12.7091 12.8500 12.8500 12.8500 12.8500 15.0703 15.0703 15.0703 15.0703 18.5897 18.5897 18.5897 18.5897 19.1163 19.1163 19.1163 19.1163 k = 0.0652 0.0377 0.3603 ( 3696 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7030 -29.7030 -29.7030 -29.7030 3.5856 3.5856 3.5856 3.5856 10.6661 10.6661 10.6661 10.6661 10.8947 10.8947 10.8947 10.8947 11.2608 11.2608 11.2608 11.2608 12.6978 12.6978 12.6978 12.6978 12.8570 12.8570 12.8570 12.8570 15.1119 15.1119 15.1119 15.1119 18.5059 18.5059 18.5059 18.5059 19.0673 19.0673 19.0673 19.0673 k = 0.0761 0.0439 0.3603 ( 3696 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7031 -29.7031 -29.7031 -29.7031 3.6026 3.6026 3.6026 3.6026 10.6150 10.6150 10.6150 10.6150 10.8942 10.8942 10.8942 10.8942 11.2812 11.2812 11.2812 11.2812 12.6858 12.6858 12.6858 12.6858 12.8642 12.8642 12.8642 12.8642 15.1600 15.1600 15.1600 15.1600 18.4086 18.4086 18.4086 18.4086 19.0151 19.0151 19.0151 19.0151 k = 0.0870 0.0502 0.3603 ( 3696 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8073 -29.8073 -29.8073 -29.8073 -29.7033 -29.7033 -29.7033 -29.7033 3.6220 3.6220 3.6220 3.6220 10.5600 10.5600 10.5600 10.5600 10.8945 10.8945 10.8945 10.8945 11.3009 11.3009 11.3009 11.3009 12.6732 12.6732 12.6732 12.6732 12.8714 12.8714 12.8714 12.8714 15.2138 15.2138 15.2138 15.2138 18.2996 18.2996 18.2996 18.2996 18.9605 18.9605 18.9605 18.9605 k = 0.0978 0.0565 0.3603 ( 3692 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8073 -29.8073 -29.8073 -29.8073 -29.7035 -29.7035 -29.7035 -29.7035 3.6440 3.6440 3.6440 3.6440 10.5018 10.5018 10.5018 10.5018 10.8954 10.8954 10.8954 10.8954 11.3198 11.3198 11.3198 11.3198 12.6600 12.6600 12.6600 12.6600 12.8788 12.8788 12.8788 12.8788 15.2728 15.2728 15.2728 15.2728 18.1810 18.1810 18.1810 18.1810 18.9036 18.9036 18.9036 18.9036 k = 0.1087 0.0628 0.3603 ( 3698 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7037 -29.7037 -29.7037 -29.7037 3.6684 3.6684 3.6684 3.6684 10.4411 10.4411 10.4411 10.4411 10.8966 10.8966 10.8966 10.8966 11.3377 11.3377 11.3377 11.3377 12.6465 12.6465 12.6465 12.6465 12.8862 12.8862 12.8862 12.8862 15.3361 15.3361 15.3361 15.3361 18.0547 18.0547 18.0547 18.0547 18.8446 18.8446 18.8446 18.8446 k = 0.1196 0.0690 0.3603 ( 3688 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7039 -29.7039 -29.7039 -29.7039 3.6952 3.6952 3.6952 3.6952 10.3784 10.3784 10.3784 10.3784 10.8980 10.8980 10.8980 10.8980 11.3548 11.3548 11.3548 11.3548 12.6326 12.6326 12.6326 12.6326 12.8938 12.8938 12.8938 12.8938 15.4029 15.4029 15.4029 15.4029 17.9231 17.9231 17.9231 17.9231 18.7835 18.7835 18.7835 18.7835 k = 0.1304 0.0753 0.3603 ( 3688 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7041 -29.7041 -29.7041 -29.7041 3.7243 3.7243 3.7243 3.7243 10.3139 10.3139 10.3139 10.3139 10.8996 10.8996 10.8996 10.8996 11.3709 11.3709 11.3709 11.3709 12.6185 12.6185 12.6185 12.6185 12.9018 12.9018 12.9018 12.9018 15.4720 15.4720 15.4720 15.4720 17.7881 17.7881 17.7881 17.7881 18.7205 18.7205 18.7205 18.7205 k = 0.1413 0.0816 0.3603 ( 3684 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7043 -29.7043 -29.7043 -29.7043 3.7557 3.7557 3.7557 3.7557 10.2481 10.2481 10.2481 10.2481 10.9013 10.9013 10.9013 10.9013 11.3862 11.3862 11.3862 11.3862 12.6041 12.6041 12.6041 12.6041 12.9102 12.9102 12.9102 12.9102 15.5422 15.5422 15.5422 15.5422 17.6521 17.6521 17.6521 17.6521 18.6556 18.6556 18.6556 18.6556 k = 0.1522 0.0879 0.3603 ( 3684 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8074 -29.8074 -29.8074 -29.8074 -29.7046 -29.7046 -29.7046 -29.7046 3.7892 3.7892 3.7892 3.7892 10.1812 10.1812 10.1812 10.1812 10.9029 10.9029 10.9029 10.9029 11.4006 11.4006 11.4006 11.4006 12.5895 12.5895 12.5895 12.5895 12.9190 12.9190 12.9190 12.9190 15.6117 15.6117 15.6117 15.6117 17.5175 17.5175 17.5175 17.5175 18.5890 18.5890 18.5890 18.5890 k = 0.1630 0.0941 0.3603 ( 3692 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2170 -43.2170 -43.2170 -43.2170 -29.8074 -29.8074 -29.8074 -29.8074 -29.7049 -29.7049 -29.7049 -29.7049 3.8249 3.8249 3.8249 3.8249 10.1135 10.1135 10.1135 10.1135 10.9044 10.9044 10.9044 10.9044 11.4141 11.4141 11.4141 11.4141 12.5749 12.5749 12.5749 12.5749 12.9285 12.9285 12.9285 12.9285 15.6782 15.6782 15.6782 15.6782 17.3873 17.3873 17.3873 17.3873 18.5208 18.5208 18.5208 18.5208 k = 0.1739 0.1004 0.3603 ( 3692 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2170 -43.2170 -43.2170 -43.2170 -29.8074 -29.8074 -29.8074 -29.8074 -29.7051 -29.7051 -29.7051 -29.7051 3.8626 3.8626 3.8626 3.8626 10.0452 10.0452 10.0452 10.0452 10.9059 10.9059 10.9059 10.9059 11.4269 11.4269 11.4269 11.4269 12.5603 12.5603 12.5603 12.5603 12.9386 12.9386 12.9386 12.9386 15.7384 15.7384 15.7384 15.7384 17.2651 17.2651 17.2651 17.2651 18.4511 18.4511 18.4511 18.4511 k = 0.1848 0.1067 0.3603 ( 3698 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2171 -43.2171 -43.2171 -43.2171 -29.8075 -29.8075 -29.8075 -29.8075 -29.7054 -29.7054 -29.7054 -29.7054 3.9023 3.9023 3.9023 3.9023 9.9767 9.9767 9.9767 9.9767 10.9072 10.9072 10.9072 10.9072 11.4387 11.4387 11.4387 11.4387 12.5458 12.5458 12.5458 12.5458 12.9496 12.9496 12.9496 12.9496 15.7880 15.7880 15.7880 15.7880 17.1558 17.1558 17.1558 17.1558 18.3803 18.3803 18.3803 18.3803 k = 0.1957 0.1130 0.3603 ( 3694 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2171 -43.2171 -43.2171 -43.2171 -29.8075 -29.8075 -29.8075 -29.8075 -29.7057 -29.7057 -29.7057 -29.7057 3.9438 3.9438 3.9438 3.9438 9.9081 9.9081 9.9081 9.9081 10.9083 10.9083 10.9083 10.9083 11.4496 11.4496 11.4496 11.4496 12.5316 12.5316 12.5316 12.5316 12.9615 12.9615 12.9615 12.9615 15.8212 15.8212 15.8212 15.8212 17.0654 17.0654 17.0654 17.0654 18.3086 18.3086 18.3086 18.3086 k = 0.2065 0.1192 0.3603 ( 3690 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2171 -43.2171 -43.2171 -43.2171 -29.8075 -29.8075 -29.8075 -29.8075 -29.7060 -29.7060 -29.7060 -29.7060 3.9870 3.9870 3.9870 3.9870 9.8396 9.8396 9.8396 9.8396 10.9093 10.9093 10.9093 10.9093 11.4596 11.4596 11.4596 11.4596 12.5178 12.5178 12.5178 12.5178 12.9744 12.9744 12.9744 12.9744 15.8315 15.8315 15.8315 15.8315 17.0007 17.0007 17.0007 17.0007 18.2361 18.2361 18.2361 18.2361 k = 0.2174 0.1255 0.3603 ( 3686 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2172 -43.2172 -43.2172 -43.2172 -29.8075 -29.8075 -29.8075 -29.8075 -29.7063 -29.7063 -29.7063 -29.7063 4.0318 4.0318 4.0318 4.0318 9.7714 9.7714 9.7714 9.7714 10.9099 10.9099 10.9099 10.9099 11.4685 11.4685 11.4685 11.4685 12.5047 12.5047 12.5047 12.5047 12.9883 12.9883 12.9883 12.9883 15.8136 15.8136 15.8136 15.8136 16.9670 16.9670 16.9670 16.9670 18.1630 18.1630 18.1630 18.1630 k = 0.2283 0.1318 0.3603 ( 3678 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2172 -43.2172 -43.2172 -43.2172 -29.8075 -29.8075 -29.8075 -29.8075 -29.7066 -29.7066 -29.7066 -29.7066 4.0781 4.0781 4.0781 4.0781 9.7037 9.7037 9.7037 9.7037 10.9104 10.9104 10.9104 10.9104 11.4763 11.4763 11.4763 11.4763 12.4923 12.4923 12.4923 12.4923 13.0031 13.0031 13.0031 13.0031 15.7666 15.7666 15.7666 15.7666 16.9656 16.9656 16.9656 16.9656 18.0898 18.0898 18.0898 18.0898 k = 0.2391 0.1381 0.3603 ( 3680 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2172 -43.2172 -43.2172 -43.2172 -29.8076 -29.8076 -29.8076 -29.8076 -29.7070 -29.7070 -29.7070 -29.7070 4.1257 4.1257 4.1257 4.1257 9.6366 9.6366 9.6366 9.6366 10.9105 10.9105 10.9105 10.9105 11.4829 11.4829 11.4829 11.4829 12.4809 12.4809 12.4809 12.4809 13.0191 13.0191 13.0191 13.0191 15.6937 15.6937 15.6937 15.6937 16.9931 16.9931 16.9931 16.9931 18.0167 18.0167 18.0167 18.0167 k = 0.2500 0.1443 0.3603 ( 3680 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2173 -43.2173 -43.2173 -43.2173 -29.8076 -29.8076 -29.8076 -29.8076 -29.7073 -29.7073 -29.7073 -29.7073 4.1745 4.1745 4.1745 4.1745 9.5702 9.5702 9.5702 9.5702 10.9104 10.9104 10.9104 10.9104 11.4882 11.4882 11.4882 11.4882 12.4706 12.4706 12.4706 12.4706 13.0361 13.0361 13.0361 13.0361 15.6014 15.6014 15.6014 15.6014 17.0430 17.0430 17.0430 17.0430 17.9439 17.9439 17.9439 17.9439 k = 0.2609 0.1506 0.3603 ( 3690 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2173 -43.2173 -43.2173 -43.2173 -29.8077 -29.8077 -29.8077 -29.8077 -29.7076 -29.7076 -29.7076 -29.7076 4.2243 4.2243 4.2243 4.2243 9.5048 9.5048 9.5048 9.5048 10.9100 10.9100 10.9100 10.9100 11.4921 11.4921 11.4921 11.4921 12.4618 12.4618 12.4618 12.4618 13.0540 13.0540 13.0540 13.0540 15.4959 15.4959 15.4959 15.4959 17.1090 17.1090 17.1090 17.1090 17.8721 17.8721 17.8721 17.8721 k = 0.2717 0.1569 0.3603 ( 3688 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2174 -43.2174 -43.2174 -43.2174 -29.8077 -29.8077 -29.8077 -29.8077 -29.7079 -29.7079 -29.7079 -29.7079 4.2749 4.2749 4.2749 4.2749 9.4404 9.4404 9.4404 9.4404 10.9093 10.9093 10.9093 10.9093 11.4945 11.4945 11.4945 11.4945 12.4546 12.4546 12.4546 12.4546 13.0730 13.0730 13.0730 13.0730 15.3824 15.3824 15.3824 15.3824 17.1853 17.1853 17.1853 17.1853 17.8018 17.8018 17.8018 17.8018 k = 0.2826 0.1632 0.3603 ( 3686 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2174 -43.2174 -43.2174 -43.2174 -29.8077 -29.8077 -29.8077 -29.8077 -29.7082 -29.7082 -29.7082 -29.7082 4.3261 4.3261 4.3261 4.3261 9.3773 9.3773 9.3773 9.3773 10.9084 10.9084 10.9084 10.9084 11.4954 11.4954 11.4954 11.4954 12.4492 12.4492 12.4492 12.4492 13.0928 13.0928 13.0928 13.0928 15.2645 15.2645 15.2645 15.2645 17.2672 17.2672 17.2672 17.2672 17.7346 17.7346 17.7346 17.7346 k = 0.2935 0.1694 0.3603 ( 3690 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2175 -43.2175 -43.2175 -43.2175 -29.8078 -29.8078 -29.8078 -29.8078 -29.7085 -29.7085 -29.7085 -29.7085 4.3777 4.3777 4.3777 4.3777 9.3154 9.3154 9.3154 9.3154 10.9072 10.9072 10.9072 10.9072 11.4946 11.4946 11.4946 11.4946 12.4458 12.4458 12.4458 12.4458 13.1135 13.1135 13.1135 13.1135 15.1449 15.1449 15.1449 15.1449 17.3487 17.3487 17.3487 17.3487 17.6739 17.6739 17.6739 17.6739 k = 0.3043 0.1757 0.3603 ( 3684 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2175 -43.2175 -43.2175 -43.2175 -29.8078 -29.8078 -29.8078 -29.8078 -29.7088 -29.7088 -29.7088 -29.7088 4.4295 4.4295 4.4295 4.4295 9.2550 9.2550 9.2550 9.2550 10.9058 10.9058 10.9058 10.9058 11.4922 11.4922 11.4922 11.4922 12.4446 12.4446 12.4446 12.4446 13.1348 13.1348 13.1348 13.1348 15.0253 15.0253 15.0253 15.0253 17.4160 17.4160 17.4160 17.4160 17.6318 17.6318 17.6318 17.6318 k = 0.3152 0.1820 0.3603 ( 3686 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2175 -43.2175 -43.2175 -43.2175 -29.8078 -29.8078 -29.8078 -29.8078 -29.7091 -29.7091 -29.7091 -29.7091 4.4813 4.4813 4.4813 4.4813 9.1963 9.1963 9.1963 9.1963 10.9042 10.9042 10.9042 10.9042 11.4882 11.4882 11.4882 11.4882 12.4455 12.4455 12.4455 12.4455 13.1567 13.1567 13.1567 13.1567 14.9072 14.9072 14.9072 14.9072 17.4347 17.4347 17.4347 17.4347 17.6415 17.6415 17.6415 17.6415 k = 0.3261 0.1883 0.3603 ( 3682 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2175 -43.2175 -43.2175 -43.2175 -29.8079 -29.8079 -29.8079 -29.8079 -29.7094 -29.7094 -29.7094 -29.7094 4.5327 4.5327 4.5327 4.5327 9.1393 9.1393 9.1393 9.1393 10.9023 10.9023 10.9023 10.9023 11.4827 11.4827 11.4827 11.4827 12.4489 12.4489 12.4489 12.4489 13.1789 13.1789 13.1789 13.1789 14.7916 14.7916 14.7916 14.7916 17.4003 17.4003 17.4003 17.4003 17.7067 17.7067 17.7067 17.7067 k = 0.3370 0.1945 0.3603 ( 3688 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2176 -43.2176 -43.2176 -43.2176 -29.8079 -29.8079 -29.8079 -29.8079 -29.7097 -29.7097 -29.7097 -29.7097 4.5834 4.5834 4.5834 4.5834 9.0842 9.0842 9.0842 9.0842 10.9004 10.9004 10.9004 10.9004 11.4757 11.4757 11.4757 11.4757 12.4545 12.4545 12.4545 12.4545 13.2012 13.2012 13.2012 13.2012 14.6791 14.6791 14.6791 14.6791 17.3473 17.3473 17.3473 17.3473 17.7921 17.7921 17.7921 17.7921 k = 0.3478 0.2008 0.3603 ( 3688 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2176 -43.2176 -43.2176 -43.2176 -29.8079 -29.8079 -29.8079 -29.8079 -29.7099 -29.7099 -29.7099 -29.7099 4.6333 4.6333 4.6333 4.6333 9.0312 9.0312 9.0312 9.0312 10.8983 10.8983 10.8983 10.8983 11.4676 11.4676 11.4676 11.4676 12.4625 12.4625 12.4625 12.4625 13.2235 13.2235 13.2235 13.2235 14.5706 14.5706 14.5706 14.5706 17.2901 17.2901 17.2901 17.2901 17.8828 17.8828 17.8828 17.8828 k = 0.3587 0.2071 0.3603 ( 3684 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2176 -43.2176 -43.2176 -43.2176 -29.8079 -29.8079 -29.8079 -29.8079 -29.7102 -29.7102 -29.7102 -29.7102 4.6819 4.6819 4.6819 4.6819 8.9805 8.9805 8.9805 8.9805 10.8961 10.8961 10.8961 10.8961 11.4583 11.4583 11.4583 11.4583 12.4726 12.4726 12.4726 12.4726 13.2455 13.2455 13.2455 13.2455 14.4665 14.4665 14.4665 14.4665 17.2329 17.2329 17.2329 17.2329 17.9740 17.9740 17.9740 17.9740 k = 0.3696 0.2134 0.3603 ( 3692 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2177 -43.2177 -43.2177 -43.2177 -29.8080 -29.8080 -29.8080 -29.8080 -29.7104 -29.7104 -29.7104 -29.7104 4.7290 4.7290 4.7290 4.7290 8.9322 8.9322 8.9322 8.9322 10.8939 10.8939 10.8939 10.8939 11.4483 11.4483 11.4483 11.4483 12.4849 12.4849 12.4849 12.4849 13.2668 13.2668 13.2668 13.2668 14.3674 14.3674 14.3674 14.3674 17.1773 17.1773 17.1773 17.1773 18.0638 18.0638 18.0638 18.0638 k = 0.3804 0.2196 0.3603 ( 3696 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2177 -43.2177 -43.2177 -43.2177 -29.8080 -29.8080 -29.8080 -29.8080 -29.7107 -29.7107 -29.7107 -29.7107 4.7742 4.7742 4.7742 4.7742 8.8865 8.8865 8.8865 8.8865 10.8917 10.8917 10.8917 10.8917 11.4377 11.4377 11.4377 11.4377 12.4990 12.4990 12.4990 12.4990 13.2872 13.2872 13.2872 13.2872 14.2737 14.2737 14.2737 14.2737 17.1242 17.1242 17.1242 17.1242 18.1509 18.1509 18.1510 18.1510 k = 0.3913 0.2259 0.3603 ( 3700 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2178 -43.2178 -43.2178 -43.2178 -29.8080 -29.8080 -29.8080 -29.8080 -29.7109 -29.7109 -29.7109 -29.7109 4.8171 4.8171 4.8171 4.8171 8.8438 8.8438 8.8438 8.8438 10.8895 10.8895 10.8895 10.8895 11.4267 11.4267 11.4267 11.4267 12.5148 12.5148 12.5148 12.5148 13.3064 13.3064 13.3064 13.3064 14.1859 14.1859 14.1859 14.1859 17.0740 17.0740 17.0740 17.0740 18.2344 18.2344 18.2344 18.2344 k = 0.4022 0.2322 0.3603 ( 3704 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2178 -43.2178 -43.2178 -43.2178 -29.8081 -29.8081 -29.8081 -29.8081 -29.7111 -29.7111 -29.7111 -29.7111 4.8574 4.8574 4.8574 4.8574 8.8041 8.8041 8.8041 8.8041 10.8873 10.8873 10.8873 10.8873 11.4158 11.4158 11.4158 11.4158 12.5319 12.5319 12.5319 12.5319 13.3239 13.3239 13.3239 13.3239 14.1044 14.1044 14.1044 14.1044 17.0273 17.0273 17.0273 17.0273 18.3134 18.3134 18.3134 18.3134 k = 0.4130 0.2385 0.3603 ( 3714 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8081 -29.8081 -29.8081 -29.8081 -29.7112 -29.7112 -29.7112 -29.7112 4.8947 4.8947 4.8947 4.8947 8.7677 8.7677 8.7677 8.7677 10.8852 10.8852 10.8852 10.8852 11.4052 11.4052 11.4052 11.4052 12.5498 12.5498 12.5498 12.5498 13.3395 13.3395 13.3395 13.3395 14.0299 14.0299 14.0299 14.0299 16.9845 16.9845 16.9845 16.9845 18.3871 18.3871 18.3871 18.3871 k = 0.4239 0.2447 0.3603 ( 3714 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8081 -29.8081 -29.8081 -29.8081 -29.7114 -29.7114 -29.7114 -29.7114 4.9287 4.9287 4.9287 4.9287 8.7349 8.7349 8.7349 8.7349 10.8833 10.8833 10.8833 10.8833 11.3951 11.3951 11.3951 11.3951 12.5683 12.5683 12.5683 12.5683 13.3527 13.3527 13.3527 13.3527 13.9630 13.9630 13.9630 13.9630 16.9458 16.9458 16.9458 16.9458 18.4547 18.4547 18.4547 18.4547 k = 0.4348 0.2510 0.3603 ( 3710 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8081 -29.8081 -29.8081 -29.8081 -29.7115 -29.7115 -29.7115 -29.7115 4.9590 4.9590 4.9590 4.9590 8.7059 8.7059 8.7059 8.7059 10.8816 10.8816 10.8816 10.8816 11.3858 11.3858 11.3858 11.3858 12.5866 12.5866 12.5866 12.5866 13.3633 13.3633 13.3633 13.3633 13.9043 13.9043 13.9043 13.9043 16.9115 16.9115 16.9115 16.9115 18.5155 18.5155 18.5155 18.5155 k = 0.4457 0.2573 0.3603 ( 3710 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7116 -29.7116 -29.7116 -29.7116 4.9853 4.9853 4.9853 4.9853 8.6809 8.6809 8.6809 8.6809 10.8801 10.8801 10.8801 10.8801 11.3775 11.3775 11.3775 11.3775 12.6041 12.6041 12.6041 12.6041 13.3709 13.3709 13.3709 13.3709 13.8543 13.8543 13.8543 13.8543 16.8820 16.8820 16.8820 16.8820 18.5686 18.5686 18.5686 18.5686 k = 0.4565 0.2636 0.3603 ( 3714 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7117 -29.7117 -29.7117 -29.7117 5.0072 5.0072 5.0072 5.0072 8.6601 8.6601 8.6601 8.6601 10.8788 10.8788 10.8788 10.8788 11.3704 11.3704 11.3704 11.3704 12.6201 12.6201 12.6201 12.6201 13.3758 13.3758 13.3758 13.3758 13.8136 13.8136 13.8136 13.8136 16.8576 16.8576 16.8576 16.8576 18.6133 18.6133 18.6133 18.6133 k = 0.4674 0.2698 0.3603 ( 3702 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7118 -29.7118 -29.7118 -29.7118 5.0246 5.0246 5.0246 5.0246 8.6437 8.6437 8.6437 8.6437 10.8777 10.8777 10.8777 10.8777 11.3647 11.3647 11.3647 11.3647 12.6337 12.6337 12.6337 12.6337 13.3783 13.3783 13.3783 13.3783 13.7823 13.7823 13.7823 13.7823 16.8383 16.8383 16.8383 16.8383 18.6490 18.6490 18.6490 18.6490 k = 0.4783 0.2761 0.3603 ( 3702 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7118 -29.7118 -29.7118 -29.7118 5.0371 5.0371 5.0371 5.0371 8.6319 8.6319 8.6319 8.6319 10.8770 10.8770 10.8770 10.8770 11.3606 11.3606 11.3606 11.3606 12.6442 12.6442 12.6442 12.6442 13.3790 13.3790 13.3790 13.3790 13.7603 13.7603 13.7603 13.7603 16.8244 16.8244 16.8244 16.8244 18.6750 18.6750 18.6750 18.6750 k = 0.4891 0.2824 0.3603 ( 3700 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7119 -29.7119 -29.7119 -29.7119 5.0447 5.0447 5.0447 5.0447 8.6248 8.6248 8.6248 8.6248 10.8765 10.8765 10.8765 10.8765 11.3580 11.3580 11.3580 11.3580 12.6508 12.6508 12.6508 12.6508 13.3790 13.3790 13.3790 13.3790 13.7474 13.7474 13.7474 13.7474 16.8160 16.8160 16.8160 16.8160 18.6908 18.6908 18.6908 18.6908 k = 0.5000 0.2887 0.3603 ( 3708 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7119 -29.7119 -29.7119 -29.7119 5.0473 5.0473 5.0473 5.0473 8.6224 8.6224 8.6224 8.6224 10.8763 10.8763 10.8763 10.8763 11.3572 11.3572 11.3572 11.3572 12.6531 12.6531 12.6531 12.6531 13.3789 13.3789 13.3789 13.3789 13.7431 13.7431 13.7431 13.7431 16.8132 16.8132 16.8132 16.8132 18.6961 18.6961 18.6961 18.6961 k = 0.5000 0.2887 0.3603 ( 3708 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7119 -29.7119 -29.7119 -29.7119 5.0473 5.0473 5.0473 5.0473 8.6224 8.6224 8.6224 8.6224 10.8763 10.8763 10.8763 10.8763 11.3572 11.3572 11.3572 11.3572 12.6531 12.6531 12.6531 12.6531 13.3789 13.3789 13.3789 13.3789 13.7431 13.7431 13.7431 13.7431 16.8132 16.8132 16.8132 16.8132 18.6961 18.6961 18.6961 18.6961 k = 0.4938 0.2994 0.3603 ( 3696 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7119 -29.7119 -29.7118 -29.7118 5.0445 5.0445 5.0511 5.0511 8.6213 8.6213 8.6265 8.6265 10.8633 10.8633 10.8847 10.8847 11.3491 11.3491 11.3640 11.3640 12.6416 12.6416 12.6640 12.6640 13.3532 13.3532 13.4052 13.4052 13.7300 13.7300 13.7576 13.7576 16.7914 16.7914 16.8142 16.8142 18.6924 18.6924 18.7275 18.7275 k = 0.4877 0.3101 0.3603 ( 3700 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8081 -29.8081 -29.7120 -29.7120 -29.7118 -29.7118 5.0427 5.0427 5.0560 5.0560 8.6231 8.6231 8.6335 8.6335 10.8457 10.8457 10.8881 10.8881 11.3399 11.3399 11.3695 11.3695 12.6298 12.6298 12.6741 12.6741 13.3282 13.3282 13.4319 13.4319 13.7182 13.7182 13.7734 13.7734 16.7507 16.7507 16.7940 16.7940 18.7166 18.7166 18.7845 18.7845 k = 0.4815 0.3208 0.3603 ( 3704 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2180 -43.2180 -43.2179 -43.2179 -29.8082 -29.8082 -29.8081 -29.8081 -29.7121 -29.7121 -29.7118 -29.7118 5.0420 5.0420 5.0618 5.0618 8.6278 8.6278 8.6434 8.6434 10.8237 10.8237 10.8864 10.8864 11.3297 11.3297 11.3736 11.3736 12.6177 12.6177 12.6833 12.6833 13.3038 13.3038 13.4583 13.4583 13.7084 13.7084 13.7906 13.7906 16.6945 16.6945 16.7544 16.7544 18.7667 18.7667 18.8636 18.8636 k = 0.4753 0.3314 0.3603 ( 3708 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2180 -43.2180 -43.2179 -43.2179 -29.8082 -29.8082 -29.8081 -29.8081 -29.7121 -29.7121 -29.7118 -29.7118 5.0423 5.0423 5.0686 5.0686 8.6355 8.6355 8.6563 8.6563 10.7975 10.7975 10.8796 10.8796 11.3186 11.3186 11.3763 11.3763 12.6055 12.6055 12.6912 12.6912 13.2800 13.2800 13.4834 13.4834 13.7017 13.7017 13.8096 13.8096 16.6265 16.6265 16.6984 16.6984 18.8397 18.8397 18.9611 18.9611 k = 0.4691 0.3421 0.3603 ( 3704 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2180 -43.2180 -43.2179 -43.2179 -29.8082 -29.8082 -29.8081 -29.8081 -29.7122 -29.7122 -29.7118 -29.7118 5.0436 5.0436 5.0764 5.0764 8.6460 8.6460 8.6720 8.6720 10.7673 10.7673 10.8675 10.8675 11.3069 11.3069 11.3778 11.3778 12.5934 12.5934 12.6977 12.6977 13.2568 13.2568 13.5053 13.5053 13.6999 13.6999 13.8305 13.8305 16.5500 16.5500 16.6296 16.6296 18.9314 18.9314 19.0732 19.0732 k = 0.4630 0.3528 0.3603 ( 3714 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2181 -43.2181 -43.2179 -43.2179 -29.8083 -29.8083 -29.8081 -29.8081 -29.7123 -29.7123 -29.7118 -29.7118 5.0458 5.0458 5.0851 5.0851 8.6594 8.6594 8.6907 8.6907 10.7332 10.7332 10.8500 10.8500 11.2947 11.2947 11.3779 11.3779 12.5812 12.5812 12.7027 12.7027 13.2339 13.2339 13.5212 13.5212 13.7056 13.7056 13.8535 13.8535 16.4679 16.4679 16.5514 16.5514 19.0379 19.0379 19.1966 19.1966 k = 0.4568 0.3635 0.3603 ( 3718 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2181 -43.2181 -43.2179 -43.2179 -29.8083 -29.8083 -29.8081 -29.8081 -29.7124 -29.7124 -29.7118 -29.7118 5.0490 5.0490 5.0946 5.0946 8.6757 8.6757 8.7122 8.7122 10.6955 10.6955 10.8273 10.8273 11.2822 11.2822 11.3768 11.3768 12.5692 12.5692 12.7059 12.7059 13.2112 13.2112 13.5290 13.5290 13.7212 13.7212 13.8790 13.8790 16.3825 16.3825 16.4668 16.4668 19.1558 19.1558 19.3283 19.3283 k = 0.4506 0.3742 0.3603 ( 3722 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2181 -43.2181 -43.2179 -43.2179 -29.8083 -29.8083 -29.8081 -29.8081 -29.7125 -29.7125 -29.7118 -29.7118 5.0530 5.0530 5.1049 5.1049 8.6949 8.6949 8.7366 8.7366 10.6543 10.6543 10.7994 10.7994 11.2697 11.2697 11.3746 11.3746 12.5574 12.5574 12.7075 12.7075 13.1887 13.1887 13.5285 13.5285 13.7466 13.7466 13.9070 13.9070 16.2955 16.2955 16.3781 16.3781 19.2819 19.2819 19.4655 19.4655 k = 0.4444 0.3849 0.3603 ( 3726 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8081 -29.8081 -29.7126 -29.7126 -29.7118 -29.7118 5.0579 5.0579 5.1159 5.1159 8.7168 8.7168 8.7637 8.7637 10.6098 10.6098 10.7664 10.7664 11.2571 11.2571 11.3714 11.3714 12.5457 12.5457 12.7073 12.7073 13.1663 13.1663 13.5215 13.5215 13.7803 13.7803 13.9377 13.9377 16.2081 16.2081 16.2871 16.2871 19.4131 19.4131 19.6055 19.6055 k = 0.4383 0.3956 0.3603 ( 3726 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8081 -29.8081 -29.7127 -29.7127 -29.7119 -29.7119 5.0636 5.0636 5.1275 5.1275 8.7414 8.7414 8.7936 8.7936 10.5623 10.5623 10.7287 10.7287 11.2445 11.2445 11.3671 11.3671 12.5343 12.5343 12.7057 12.7057 13.1439 13.1439 13.5102 13.5102 13.8200 13.8200 13.9711 13.9711 16.1213 16.1213 16.1952 16.1952 19.5466 19.5466 19.7445 19.7445 k = 0.4321 0.4063 0.3603 ( 3726 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8080 -29.8080 -29.7128 -29.7128 -29.7119 -29.7119 5.0699 5.0699 5.1397 5.1397 8.7688 8.7688 8.8262 8.8262 10.5120 10.5120 10.6865 10.6865 11.2320 11.2320 11.3619 11.3619 12.5233 12.5233 12.7027 12.7027 13.1215 13.1215 13.4961 13.4961 13.8644 13.8644 14.0072 14.0072 16.0358 16.0358 16.1033 16.1033 19.6795 19.6795 19.8773 19.8773 k = 0.4259 0.4170 0.3603 ( 3722 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8080 -29.8080 -29.7129 -29.7129 -29.7119 -29.7119 5.0769 5.0769 5.1523 5.1523 8.7988 8.7988 8.8614 8.8614 10.4590 10.4590 10.6401 10.6401 11.2196 11.2196 11.3559 11.3559 12.5126 12.5126 12.6987 12.6987 13.0991 13.0991 13.4801 13.4801 13.9122 13.9122 14.0459 14.0459 15.9521 15.9521 16.0122 16.0122 19.8085 19.8085 19.9958 19.9958 k = 0.4198 0.4277 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8084 -29.8084 -29.8080 -29.8080 -29.7131 -29.7131 -29.7120 -29.7120 5.0844 5.0844 5.1652 5.1652 8.8313 8.8313 8.8992 8.8992 10.4037 10.4037 10.5898 10.5898 11.2074 11.2074 11.3492 11.3492 12.5024 12.5024 12.6939 12.6939 13.0766 13.0766 13.4630 13.4630 13.9629 13.9629 14.0871 14.0871 15.8704 15.8704 15.9223 15.9223 19.9298 19.9298 20.0926 20.0926 k = 0.4136 0.4384 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8084 -29.8084 -29.8080 -29.8080 -29.7132 -29.7132 -29.7120 -29.7120 5.0923 5.0923 5.1784 5.1784 8.8664 8.8664 8.9395 8.9395 10.3462 10.3462 10.5361 10.5361 11.1954 11.1954 11.3419 11.3419 12.4927 12.4927 12.6887 12.6887 13.0541 13.0541 13.4453 13.4453 14.0162 14.0162 14.1305 14.1305 15.7908 15.7908 15.8339 15.8339 20.0403 20.0403 20.1687 20.1687 k = 0.4074 0.4491 0.3603 ( 3724 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8084 -29.8084 -29.8080 -29.8080 -29.7133 -29.7133 -29.7121 -29.7121 5.1005 5.1005 5.1917 5.1917 8.9038 8.9038 8.9822 8.9822 10.2869 10.2869 10.4794 10.4794 11.1837 11.1837 11.3341 11.3341 12.4836 12.4836 12.6835 12.6835 13.0316 13.0316 13.4274 13.4274 14.0715 14.0715 14.1760 14.1760 15.7137 15.7137 15.7474 15.7474 20.1383 20.1383 20.2314 20.2314 k = 0.4012 0.4597 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8084 -29.8084 -29.8080 -29.8080 -29.7134 -29.7134 -29.7121 -29.7121 5.1090 5.1090 5.2049 5.2049 8.9435 8.9435 9.0271 9.0271 10.2260 10.2260 10.4200 10.4200 11.1722 11.1722 11.3259 11.3259 12.4752 12.4752 12.6784 12.6784 13.0093 13.0093 13.4095 13.4095 14.1287 14.1287 14.2232 14.2232 15.6388 15.6388 15.6627 15.6627 20.2240 20.2240 20.2869 20.2869 k = 0.3951 0.4704 0.3603 ( 3732 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7135 -29.7135 -29.7122 -29.7122 5.1175 5.1175 5.2179 5.2179 8.9853 8.9853 9.0742 9.0742 10.1638 10.1638 10.3583 10.3583 11.1612 11.1612 11.3175 11.3175 12.4675 12.4675 12.6740 12.6740 12.9872 12.9872 13.3919 13.3919 14.1875 14.1875 14.2720 14.2720 15.5664 15.5664 15.5798 15.5798 20.2995 20.2995 20.3385 20.3385 k = 0.3889 0.4811 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8084 -29.8084 -29.8080 -29.8080 -29.7136 -29.7136 -29.7122 -29.7122 5.1260 5.1260 5.2306 5.2306 9.0291 9.0291 9.1233 9.1233 10.1007 10.1007 10.2950 10.2950 11.1507 11.1507 11.3091 11.3091 12.4606 12.4606 12.6705 12.6705 12.9653 12.9653 13.3748 13.3748 14.2477 14.2477 14.3220 14.3220 15.4964 15.4964 15.4989 15.4989 20.3669 20.3669 20.3877 20.3877 k = 0.3827 0.4918 0.3603 ( 3740 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7137 -29.7137 -29.7123 -29.7123 5.1343 5.1343 5.2427 5.2427 9.0747 9.0747 9.1740 9.1740 10.0370 10.0370 10.2303 10.2303 11.1407 11.1407 11.3008 11.3008 12.4545 12.4545 12.6681 12.6681 12.9439 12.9439 13.3586 13.3586 14.3091 14.3091 14.3727 14.3727 15.4199 15.4199 15.4287 15.4287 20.4280 20.4280 20.4348 20.4348 k = 0.3765 0.5025 0.3603 ( 3738 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7137 -29.7137 -29.7123 -29.7123 5.1422 5.1422 5.2541 5.2541 9.1218 9.1218 9.2262 9.2262 9.9732 9.9732 10.1650 10.1650 11.1316 11.1316 11.2928 11.2928 12.4492 12.4492 12.6671 12.6671 12.9230 12.9230 13.3434 13.3434 14.3715 14.3715 14.4238 14.4238 15.3426 15.3426 15.3638 15.3638 20.4799 20.4799 20.4838 20.4838 k = 0.3704 0.5132 0.3603 ( 3738 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7138 -29.7138 -29.7124 -29.7124 5.1497 5.1497 5.2647 5.2647 9.1701 9.1701 9.2795 9.2795 9.9099 9.9099 10.0996 10.0996 11.1233 11.1233 11.2854 11.2854 12.4449 12.4449 12.6675 12.6675 12.9029 12.9029 13.3295 13.3295 14.4349 14.4349 14.4747 14.4747 15.2671 15.2671 15.3016 15.3016 20.5226 20.5226 20.5347 20.5347 k = 0.3642 0.5239 0.3603 ( 3738 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7139 -29.7139 -29.7124 -29.7124 5.1565 5.1565 5.2742 5.2742 9.2192 9.2192 9.3333 9.3333 9.8476 9.8476 10.0350 10.0350 11.1159 11.1159 11.2786 11.2786 12.4413 12.4413 12.6693 12.6693 12.8838 12.8838 13.3171 13.3171 14.4988 14.4988 14.5247 14.5247 15.1934 15.1934 15.2428 15.2428 20.5621 20.5621 20.5807 20.5807 k = 0.3580 0.5346 0.3603 ( 3738 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7139 -29.7139 -29.7124 -29.7124 5.1625 5.1625 5.2825 5.2825 9.2682 9.2682 9.3867 9.3867 9.7874 9.7874 9.9723 9.9723 11.1096 11.1096 11.2727 11.2727 12.4385 12.4385 12.6725 12.6725 12.8661 12.8661 13.3064 13.3064 14.5631 14.5631 14.5725 14.5725 15.1215 15.1215 15.1882 15.1882 20.5977 20.5977 20.6213 20.6213 k = 0.3519 0.5453 0.3603 ( 3742 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7140 -29.7140 -29.7125 -29.7125 5.1675 5.1675 5.2892 5.2892 9.3159 9.3159 9.4380 9.4380 9.7307 9.7307 9.9133 9.9133 11.1045 11.1045 11.2678 11.2678 12.4365 12.4365 12.6767 12.6767 12.8503 12.8503 13.2976 13.2976 14.6163 14.6163 14.6273 14.6273 15.0516 15.0516 15.1394 15.1394 20.6282 20.6282 20.6555 20.6555 k = 0.3457 0.5560 0.3603 ( 3746 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7140 -29.7140 -29.7125 -29.7125 5.1712 5.1712 5.2943 5.2943 9.3595 9.3595 9.4842 9.4842 9.6804 9.6804 9.8615 9.8615 11.1007 11.1007 11.2642 11.2642 12.4352 12.4352 12.6812 12.6812 12.8373 12.8373 13.2911 13.2911 14.6531 14.6531 14.6902 14.6902 14.9848 14.9848 15.0991 15.0991 20.6522 20.6522 20.6823 20.6823 k = 0.3395 0.5667 0.3603 ( 3748 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2185 -43.2185 -43.2180 -43.2180 -29.8085 -29.8085 -29.8080 -29.8080 -29.7140 -29.7140 -29.7125 -29.7125 5.1737 5.1737 5.2975 5.2975 9.3933 9.3933 9.5190 9.5190 9.6425 9.6425 9.8232 9.8232 11.0984 11.0984 11.2619 11.2619 12.4345 12.4345 12.6850 12.6850 12.8283 12.8283 13.2870 13.2870 14.6787 14.6787 14.7478 14.7478 14.9248 14.9248 15.0716 15.0716 20.6680 20.6680 20.6998 20.6998 k = 0.3333 0.5774 0.3603 ( 3750 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2185 -43.2185 -43.2181 -43.2181 -29.8085 -29.8085 -29.8080 -29.8080 -29.7141 -29.7141 -29.7125 -29.7125 5.1745 5.1745 5.2986 5.2986 9.4069 9.4069 9.5325 9.5325 9.6276 9.6276 9.8085 9.8085 11.0976 11.0976 11.2611 11.2611 12.4343 12.4343 12.6865 12.6865 12.8250 12.8250 13.2856 13.2856 14.6879 14.6879 14.7789 14.7789 14.8930 14.8930 15.0617 15.0617 20.6738 20.6738 20.7061 20.7061 k = 0.3333 0.5774 0.3603 ( 3750 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2185 -43.2185 -43.2181 -43.2181 -29.8085 -29.8085 -29.8080 -29.8080 -29.7141 -29.7141 -29.7125 -29.7125 5.1745 5.1745 5.2986 5.2986 9.4069 9.4069 9.5325 9.5325 9.6276 9.6276 9.8085 9.8085 11.0976 11.0976 11.2611 11.2611 12.4343 12.4343 12.6865 12.6865 12.8250 12.8250 13.2856 13.2856 14.6879 14.6879 14.7789 14.7789 14.8930 14.8930 15.0617 15.0617 20.6738 20.6738 20.7061 20.7061 k = 0.3270 0.5665 0.3603 ( 3746 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2185 -43.2185 -43.2180 -43.2180 -29.8085 -29.8085 -29.8080 -29.8080 -29.7140 -29.7140 -29.7125 -29.7125 5.1736 5.1736 5.2974 5.2974 9.3934 9.3934 9.5189 9.5189 9.6425 9.6425 9.8234 9.8234 11.0984 11.0984 11.2620 11.2620 12.4344 12.4344 12.6846 12.6846 12.8287 12.8287 13.2872 13.2872 14.6785 14.6785 14.7472 14.7472 14.9254 14.9254 15.0718 15.0718 20.6671 20.6671 20.6988 20.6988 k = 0.3208 0.5556 0.3603 ( 3742 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7140 -29.7140 -29.7125 -29.7125 5.1706 5.1706 5.2936 5.2936 9.3616 9.3616 9.4853 9.4853 9.6789 9.6789 9.8609 9.8609 11.1011 11.1011 11.2646 11.2646 12.4350 12.4350 12.6789 12.6789 12.8401 12.8401 13.2919 13.2919 14.6530 14.6530 14.6897 14.6897 14.9852 14.9852 15.0992 15.0992 20.6460 20.6460 20.6755 20.6755 k = 0.3145 0.5447 0.3603 ( 3740 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7140 -29.7140 -29.7124 -29.7124 5.1655 5.1655 5.2870 5.2870 9.3228 9.3228 9.4426 9.4426 9.7254 9.7254 9.9103 9.9103 11.1056 11.1056 11.2690 11.2690 12.4356 12.4356 12.6702 12.6702 12.8584 12.8584 13.3001 13.3001 14.6169 14.6169 14.6281 14.6281 15.0507 15.0507 15.1385 15.1385 20.6090 20.6090 20.6351 20.6351 k = 0.3082 0.5338 0.3603 ( 3736 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7139 -29.7139 -29.7124 -29.7124 5.1580 5.1580 5.2776 5.2776 9.2829 9.2829 9.3972 9.3972 9.7763 9.7763 9.9651 9.9651 11.1120 11.1120 11.2753 11.2753 12.4364 12.4364 12.6597 12.6597 12.8825 12.8825 13.3117 13.3117 14.5664 14.5664 14.5750 14.5750 15.1179 15.1179 15.1850 15.1850 20.5559 20.5559 20.5773 20.5773 k = 0.3019 0.5229 0.3603 ( 3732 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8080 -29.8080 -29.7138 -29.7138 -29.7124 -29.7124 5.1479 5.1479 5.2650 5.2650 9.2446 9.2446 9.3523 9.3523 9.8288 9.8288 10.0223 10.0223 11.1203 11.1203 11.2833 11.2833 12.4372 12.4372 12.6481 12.6481 12.9113 12.9113 13.3269 13.3269 14.5061 14.5061 14.5304 14.5304 15.1858 15.1858 15.2359 15.2359 20.4878 20.4878 20.5038 20.5038 k = 0.2956 0.5120 0.3603 ( 3732 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2184 -43.2184 -43.2180 -43.2180 -29.8084 -29.8084 -29.8079 -29.8079 -29.7138 -29.7138 -29.7123 -29.7123 5.1353 5.1353 5.2493 5.2493 9.2093 9.2093 9.3096 9.3096 9.8816 9.8816 10.0800 10.0800 11.1306 11.1306 11.2931 11.2931 12.4378 12.4378 12.6363 12.6363 12.9442 12.9442 13.3455 13.3455 14.4478 14.4478 14.4851 14.4851 15.2539 15.2539 15.2893 15.2893 20.4065 20.4065 20.4168 20.4168 k = 0.2893 0.5011 0.3603 ( 3720 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8084 -29.8084 -29.8079 -29.8079 -29.7136 -29.7136 -29.7122 -29.7122 5.1198 5.1198 5.2303 5.2303 9.1777 9.1777 9.2701 9.2701 9.9340 9.9340 10.1374 10.1374 11.1428 11.1428 11.3045 11.3045 12.4383 12.4383 12.6248 12.6248 12.9805 12.9805 13.3672 13.3672 14.3924 14.3924 14.4407 14.4407 15.3222 15.3222 15.3444 15.3444 20.3144 20.3144 20.3191 20.3191 k = 0.2830 0.4902 0.3603 ( 3716 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8084 -29.8084 -29.8079 -29.8079 -29.7135 -29.7135 -29.7121 -29.7121 5.1015 5.1015 5.2081 5.2081 9.1504 9.1504 9.2345 9.2345 9.9854 9.9854 10.1936 10.1936 11.1568 11.1568 11.3175 11.3175 12.4385 12.4385 12.6136 12.6136 13.0194 13.0194 13.3915 13.3915 14.3409 14.3409 14.3985 14.3985 15.3902 15.3902 15.4002 15.4002 20.2133 20.2133 20.2138 20.2138 k = 0.2767 0.4793 0.3603 ( 3716 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8079 -29.8079 -29.7134 -29.7134 -29.7120 -29.7120 5.0803 5.0803 5.1825 5.1825 9.1277 9.1277 9.2031 9.2031 10.0355 10.0355 10.2483 10.2483 11.1726 11.1726 11.3317 11.3317 12.4384 12.4384 12.6030 12.6030 13.0602 13.0602 13.4173 13.4173 14.2946 14.2946 14.3597 14.3597 15.4565 15.4565 15.4580 15.4580 20.1015 20.1015 20.1069 20.1069 k = 0.2704 0.4684 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8084 -29.8084 -29.8079 -29.8079 -29.7132 -29.7132 -29.7119 -29.7119 5.0561 5.0561 5.1537 5.1537 9.1098 9.1098 9.1764 9.1764 10.0841 10.0841 10.3010 10.3010 11.1899 11.1899 11.3469 11.3469 12.4380 12.4380 12.5932 12.5932 13.1018 13.1018 13.4433 13.4433 14.2551 14.2551 14.3256 14.3256 15.5130 15.5130 15.5255 15.5255 19.9857 19.9857 19.9954 19.9954 k = 0.2642 0.4575 0.3603 ( 3732 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2183 -43.2183 -43.2179 -43.2179 -29.8083 -29.8083 -29.8079 -29.8079 -29.7131 -29.7131 -29.7118 -29.7118 5.0291 5.0291 5.1218 5.1218 9.0967 9.0967 9.1544 9.1544 10.1311 10.1311 10.3515 10.3515 11.2087 11.2087 11.3629 11.3629 12.4373 12.4373 12.5844 12.5844 13.1429 13.1429 13.4673 13.4673 14.2250 14.2250 14.2980 14.2980 15.5693 15.5693 15.5926 15.5926 19.8671 19.8671 19.8809 19.8809 k = 0.2579 0.4466 0.3603 ( 3732 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8079 -29.8079 -29.7129 -29.7129 -29.7117 -29.7117 4.9992 4.9992 5.0867 5.0867 9.0887 9.0887 9.1374 9.1374 10.1762 10.1762 10.3997 10.3997 11.2287 11.2287 11.3795 11.3795 12.4364 12.4364 12.5765 12.5765 13.1820 13.1820 13.4869 13.4869 14.2069 14.2069 14.2788 14.2788 15.6253 15.6253 15.6592 15.6592 19.7469 19.7469 19.7645 19.7645 k = 0.2516 0.4357 0.3603 ( 3728 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2182 -43.2182 -43.2179 -43.2179 -29.8083 -29.8083 -29.8079 -29.8079 -29.7127 -29.7127 -29.7115 -29.7115 4.9665 4.9665 5.0488 5.0488 9.0856 9.0856 9.1255 9.1255 10.2196 10.2196 10.4454 10.4454 11.2496 11.2496 11.3963 11.3963 12.4352 12.4352 12.5696 12.5696 13.2171 13.2171 13.4992 13.4992 14.2040 14.2040 14.2702 14.2702 15.6808 15.6808 15.7251 15.7251 19.6261 19.6261 19.6472 19.6472 k = 0.2453 0.4248 0.3603 ( 3720 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2181 -43.2181 -43.2178 -43.2178 -29.8083 -29.8083 -29.8079 -29.8079 -29.7124 -29.7124 -29.7113 -29.7113 4.9311 4.9311 5.0081 5.0081 9.0875 9.0875 9.1186 9.1186 10.2611 10.2611 10.4887 10.4887 11.2710 11.2710 11.4130 11.4130 12.4338 12.4338 12.5638 12.5638 13.2461 13.2461 13.5021 13.5021 14.2185 14.2185 14.2744 14.2744 15.7357 15.7357 15.7902 15.7902 19.5053 19.5053 19.5296 19.5296 k = 0.2390 0.4139 0.3603 ( 3716 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2181 -43.2181 -43.2178 -43.2178 -29.8082 -29.8082 -29.8079 -29.8079 -29.7122 -29.7122 -29.7111 -29.7111 4.8932 4.8932 4.9649 4.9649 9.0942 9.0942 9.1168 9.1168 10.3007 10.3007 10.5296 10.5296 11.2928 11.2928 11.4293 11.4293 12.4322 12.4322 12.5591 12.5591 13.2672 13.2672 13.4946 13.4946 14.2514 14.2514 14.2933 14.2933 15.7897 15.7897 15.8543 15.8543 19.3851 19.3851 19.4126 19.4126 k = 0.2327 0.4031 0.3603 ( 3724 PWs) bands (ev): -76.3207 -76.3207 -76.3206 -76.3206 -43.2181 -43.2181 -43.2178 -43.2178 -29.8082 -29.8082 -29.8079 -29.8079 -29.7120 -29.7120 -29.7109 -29.7109 4.8530 4.8530 4.9195 4.9195 9.1055 9.1055 9.1199 9.1199 10.3386 10.3386 10.5680 10.5680 11.3145 11.3145 11.4450 11.4450 12.4304 12.4304 12.5555 12.5555 13.2794 13.2794 13.4778 13.4778 14.3017 14.3017 14.3282 14.3282 15.8426 15.8426 15.9171 15.9171 19.2663 19.2663 19.2966 19.2966 k = 0.2264 0.3922 0.3603 ( 3720 PWs) bands (ev): -76.3207 -76.3207 -76.3206 -76.3206 -43.2180 -43.2180 -43.2178 -43.2178 -29.8082 -29.8082 -29.8079 -29.8079 -29.7117 -29.7117 -29.7107 -29.7107 4.8106 4.8106 4.8720 4.8720 9.1215 9.1215 9.1280 9.1280 10.3748 10.3748 10.6042 10.6042 11.3359 11.3359 11.4598 11.4598 12.4286 12.4286 12.5530 12.5530 13.2823 13.2823 13.4534 13.4534 14.3678 14.3678 14.3793 14.3793 15.8943 15.8943 15.9785 15.9785 19.1494 19.1494 19.1824 19.1824 k = 0.2201 0.3813 0.3603 ( 3712 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2180 -43.2180 -43.2177 -43.2177 -29.8082 -29.8082 -29.8079 -29.8079 -29.7114 -29.7114 -29.7105 -29.7105 4.7664 4.7664 4.8227 4.8227 9.1408 9.1408 9.1418 9.1418 10.4093 10.4093 10.6383 10.6383 11.3566 11.3566 11.4734 11.4734 12.4266 12.4266 12.5515 12.5515 13.2767 13.2767 13.4237 13.4237 14.4460 14.4460 14.4474 14.4474 15.9443 15.9443 16.0381 16.0381 19.0349 19.0349 19.0703 19.0703 k = 0.2138 0.3704 0.3603 ( 3714 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2179 -43.2179 -43.2177 -43.2177 -29.8081 -29.8081 -29.8079 -29.8079 -29.7112 -29.7112 -29.7103 -29.7103 4.7204 4.7204 4.7719 4.7719 9.1581 9.1581 9.1664 9.1664 10.4423 10.4423 10.6702 10.6702 11.3764 11.3764 11.4858 11.4858 12.4247 12.4247 12.5511 12.5511 13.2639 13.2639 13.3905 13.3905 14.5269 14.5269 14.5384 14.5384 15.9925 15.9925 16.0953 16.0953 18.9238 18.9238 18.9611 18.9611 k = 0.2075 0.3595 0.3603 ( 3706 PWs) bands (ev): -76.3207 -76.3207 -76.3206 -76.3206 -43.2179 -43.2179 -43.2176 -43.2176 -29.8081 -29.8081 -29.8078 -29.8078 -29.7108 -29.7108 -29.7100 -29.7100 4.6729 4.6729 4.7198 4.7198 9.1800 9.1800 9.1950 9.1950 10.4737 10.4737 10.7002 10.7002 11.3950 11.3950 11.4967 11.4967 12.4229 12.4229 12.5517 12.5517 13.2455 13.2455 13.3555 13.3555 14.6203 14.6203 14.6393 14.6393 16.0383 16.0383 16.1496 16.1496 18.8166 18.8166 18.8555 18.8555 k = 0.2013 0.3486 0.3603 ( 3704 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2178 -43.2178 -43.2176 -43.2176 -29.8081 -29.8081 -29.8078 -29.8078 -29.7105 -29.7105 -29.7097 -29.7097 4.6243 4.6243 4.6668 4.6668 9.2060 9.2060 9.2274 9.2274 10.5037 10.5037 10.7283 10.7283 11.4122 11.4122 11.5061 11.5061 12.4213 12.4213 12.5531 12.5531 13.2229 13.2229 13.3199 13.3199 14.7247 14.7247 14.7485 14.7485 16.0814 16.0814 16.2003 16.2003 18.7145 18.7145 18.7542 18.7542 k = 0.1950 0.3377 0.3603 ( 3708 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2178 -43.2178 -43.2176 -43.2176 -29.8080 -29.8080 -29.8078 -29.8078 -29.7102 -29.7102 -29.7095 -29.7095 4.5746 4.5746 4.6131 4.6131 9.2361 9.2361 9.2634 9.2634 10.5322 10.5322 10.7546 10.7546 11.4277 11.4277 11.5138 11.5138 12.4198 12.4198 12.5555 12.5555 13.1977 13.1977 13.2845 13.2845 14.8383 14.8383 14.8650 14.8650 16.1210 16.1210 16.2466 16.2466 18.6183 18.6183 18.6580 18.6580 k = 0.1887 0.3268 0.3603 ( 3704 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2177 -43.2177 -43.2175 -43.2175 -29.8080 -29.8080 -29.8078 -29.8078 -29.7099 -29.7099 -29.7092 -29.7092 4.5243 4.5243 4.5588 4.5588 9.2701 9.2701 9.3027 9.3027 10.5594 10.5594 10.7792 10.7792 11.4415 11.4415 11.5198 11.5198 12.4189 12.4189 12.5586 12.5586 13.1708 13.1708 13.2500 13.2500 14.9598 14.9598 14.9879 14.9879 16.1567 16.1567 16.2874 16.2874 18.5295 18.5295 18.5679 18.5679 k = 0.1824 0.3159 0.3603 ( 3708 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2177 -43.2177 -43.2175 -43.2175 -29.8079 -29.8079 -29.8077 -29.8077 -29.7096 -29.7096 -29.7090 -29.7090 4.4734 4.4734 4.5044 4.5044 9.3077 9.3077 9.3453 9.3453 10.5852 10.5852 10.8020 10.8020 11.4533 11.4533 11.5241 11.5241 12.4184 12.4184 12.5624 12.5624 13.1432 13.1432 13.2168 13.2168 15.0879 15.0879 15.1163 15.1163 16.1877 16.1877 16.3217 16.3217 18.4493 18.4493 18.4849 18.4849 k = 0.1761 0.3050 0.3603 ( 3708 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2177 -43.2177 -43.2175 -43.2175 -29.8079 -29.8079 -29.8077 -29.8077 -29.7093 -29.7093 -29.7087 -29.7087 4.4223 4.4223 4.4499 4.4499 9.3487 9.3487 9.3908 9.3908 10.6097 10.6097 10.8232 10.8232 11.4631 11.4631 11.5267 11.5267 12.4186 12.4186 12.5668 12.5668 13.1158 13.1158 13.1854 13.1854 15.2212 15.2212 15.2493 15.2493 16.2135 16.2135 16.3483 16.3483 18.3794 18.3794 18.4103 18.4103 k = 0.1698 0.2941 0.3603 ( 3708 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2176 -43.2176 -43.2175 -43.2175 -29.8079 -29.8079 -29.8077 -29.8077 -29.7089 -29.7089 -29.7084 -29.7084 4.3712 4.3712 4.3957 4.3957 9.3929 9.3929 9.4392 9.4392 10.6329 10.6329 10.8427 10.8427 11.4706 11.4706 11.5275 11.5275 12.4196 12.4196 12.5717 12.5717 13.0889 13.0889 13.1560 13.1560 15.3584 15.3584 15.3861 15.3861 16.2337 16.2337 16.3660 16.3660 18.3211 18.3211 18.3451 18.3451 k = 0.1635 0.2832 0.3603 ( 3704 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2175 -43.2175 -43.2174 -43.2174 -29.8078 -29.8078 -29.8077 -29.8077 -29.7086 -29.7086 -29.7081 -29.7081 4.3203 4.3203 4.3419 4.3419 9.4402 9.4402 9.4900 9.4900 10.6547 10.6547 10.8605 10.8605 11.4760 11.4760 11.5268 11.5268 12.4216 12.4216 12.5770 12.5770 13.0632 13.0632 13.1286 13.1286 15.4975 15.4975 15.5256 15.5256 16.2486 16.2486 16.3742 16.3742 18.2759 18.2759 18.2905 18.2905 k = 0.1572 0.2723 0.3603 ( 3700 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2175 -43.2175 -43.2174 -43.2174 -29.8078 -29.8078 -29.8076 -29.8076 -29.7082 -29.7082 -29.7078 -29.7078 4.2698 4.2698 4.2888 4.2888 9.4902 9.4902 9.5433 9.5433 10.6753 10.6753 10.8767 10.8767 11.4791 11.4791 11.5244 11.5244 12.4247 12.4247 12.5826 12.5826 13.0389 13.0389 13.1033 13.1033 15.6355 15.6355 15.6663 15.6663 16.2596 16.2596 16.3730 16.3730 18.2448 18.2448 18.2476 18.2476 k = 0.1509 0.2614 0.3603 ( 3688 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2174 -43.2174 -43.2173 -43.2173 -29.8077 -29.8077 -29.8076 -29.8076 -29.7078 -29.7078 -29.7074 -29.7074 4.2198 4.2198 4.2365 4.2365 9.5428 9.5428 9.5987 9.5987 10.6945 10.6945 10.8913 10.8913 11.4801 11.4801 11.5205 11.5205 12.4292 12.4292 12.5885 12.5885 13.0163 13.0163 13.0801 13.0801 15.7664 15.7664 15.8052 15.8052 16.2716 16.2716 16.3643 16.3643 18.2169 18.2169 18.2284 18.2284 k = 0.1447 0.2505 0.3603 ( 3684 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2173 -43.2173 -43.2172 -43.2172 -29.8077 -29.8077 -29.8076 -29.8076 -29.7075 -29.7075 -29.7071 -29.7071 4.1707 4.1707 4.1852 4.1852 9.5977 9.5977 9.6560 9.6560 10.7125 10.7125 10.9041 10.9041 11.4787 11.4787 11.5152 11.5152 12.4351 12.4351 12.5945 12.5945 12.9955 12.9955 13.0590 13.0590 15.8781 15.8781 15.9355 15.9355 16.2959 16.2959 16.3548 16.3548 18.1989 18.1989 18.2265 18.2265 k = 0.1384 0.2397 0.3603 ( 3684 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2173 -43.2173 -43.2172 -43.2172 -29.8076 -29.8076 -29.8075 -29.8075 -29.7071 -29.7071 -29.7068 -29.7068 4.1225 4.1225 4.1350 4.1350 9.6548 9.6548 9.7151 9.7151 10.7291 10.7291 10.9153 10.9153 11.4754 11.4754 11.5085 11.5085 12.4425 12.4425 12.6006 12.6006 12.9766 12.9766 13.0397 13.0397 15.9503 15.9503 16.0387 16.0387 16.3524 16.3524 16.3632 16.3632 18.1935 18.1935 18.2383 18.2383 k = 0.1321 0.2288 0.3603 ( 3690 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2173 -43.2173 -43.2172 -43.2172 -29.8076 -29.8076 -29.8075 -29.8075 -29.7068 -29.7068 -29.7065 -29.7065 4.0754 4.0754 4.0862 4.0862 9.7138 9.7138 9.7757 9.7757 10.7445 10.7445 10.9249 10.9249 11.4700 11.4700 11.5006 11.5006 12.4513 12.4513 12.6067 12.6067 12.9596 12.9596 13.0222 13.0222 15.9721 15.9721 16.0817 16.0817 16.4233 16.4233 16.4520 16.4520 18.2002 18.2002 18.2626 18.2626 k = 0.1258 0.2179 0.3603 ( 3686 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2172 -43.2172 -43.2171 -43.2171 -29.8076 -29.8076 -29.8075 -29.8075 -29.7065 -29.7065 -29.7062 -29.7062 4.0296 4.0296 4.0388 4.0388 9.7744 9.7744 9.8376 9.8376 10.7586 10.7586 10.9329 10.9329 11.4628 11.4628 11.4914 11.4914 12.4617 12.4617 12.6129 12.6129 12.9446 12.9446 13.0064 13.0064 15.9561 15.9561 16.0641 16.0641 16.5369 16.5369 16.5826 16.5826 18.2182 18.2182 18.2979 18.2979 k = 0.1195 0.2070 0.3603 ( 3682 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2171 -43.2171 -43.2171 -43.2171 -29.8075 -29.8075 -29.8075 -29.8075 -29.7061 -29.7061 -29.7059 -29.7059 3.9852 3.9852 3.9931 3.9931 9.8365 9.8365 9.9005 9.9005 10.7714 10.7714 10.9392 10.9392 11.4540 11.4540 11.4812 11.4812 12.4736 12.4736 12.6191 12.6191 12.9315 12.9315 12.9920 12.9920 15.9180 15.9180 16.0152 16.0152 16.6755 16.6755 16.7291 16.7291 18.2464 18.2464 18.3424 18.3424 k = 0.1132 0.1961 0.3603 ( 3686 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2171 -43.2171 -43.2171 -43.2171 -29.8075 -29.8075 -29.8074 -29.8074 -29.7058 -29.7058 -29.7056 -29.7056 3.9424 3.9424 3.9490 3.9490 9.8998 9.8998 9.9643 9.9643 10.7831 10.7831 10.9440 10.9440 11.4438 11.4438 11.4700 11.4700 12.4868 12.4868 12.6253 12.6253 12.9200 12.9200 12.9788 12.9788 15.8666 15.8666 15.9516 15.9516 16.8238 16.8238 16.8832 16.8832 18.2836 18.2836 18.3943 18.3943 k = 0.1069 0.1852 0.3603 ( 3678 PWs) bands (ev): -76.3207 -76.3207 -76.3207 -76.3207 -43.2170 -43.2170 -43.2170 -43.2170 -29.8075 -29.8075 -29.8074 -29.8074 -29.7055 -29.7055 -29.7053 -29.7053 3.9012 3.9012 3.9067 3.9067 9.9641 9.9641 10.0288 10.0288 10.7936 10.7936 10.9473 10.9473 11.4324 11.4324 11.4578 11.4578 12.5013 12.5013 12.6315 12.6315 12.9102 12.9102 12.9668 12.9668 15.8069 15.8069 15.8801 15.8801 16.9762 16.9762 17.0406 17.0406 18.3285 18.3285 18.4519 18.4519 k = 0.1006 0.1743 0.3603 ( 3678 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2170 -43.2170 -43.2170 -43.2170 -29.8074 -29.8074 -29.8074 -29.8074 -29.7052 -29.7052 -29.7051 -29.7051 3.8618 3.8618 3.8664 3.8664 10.0291 10.0291 10.0935 10.0935 10.8031 10.8031 10.9492 10.9492 11.4198 11.4198 11.4448 11.4448 12.5168 12.5168 12.6377 12.6377 12.9017 12.9017 12.9556 12.9556 15.7418 15.7418 15.8041 15.8041 17.1299 17.1299 17.1991 17.1991 18.3799 18.3799 18.5137 18.5137 k = 0.0943 0.1634 0.3603 ( 3678 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2170 -43.2170 -43.2169 -43.2169 -29.8074 -29.8074 -29.8074 -29.8074 -29.7049 -29.7049 -29.7048 -29.7048 3.8243 3.8243 3.8281 3.8281 10.0946 10.0946 10.1583 10.1583 10.8116 10.8116 10.9498 10.9498 11.4064 11.4064 11.4309 11.4309 12.5332 12.5332 12.6440 12.6440 12.8944 12.8944 12.9452 12.9452 15.6733 15.6733 15.7258 15.7258 17.2834 17.2834 17.3568 17.3568 18.4367 18.4367 18.5780 18.5780 k = 0.0881 0.1525 0.3603 ( 3678 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8074 -29.8074 -29.8073 -29.8073 -29.7046 -29.7046 -29.7045 -29.7045 3.7888 3.7888 3.7918 3.7918 10.1602 10.1602 10.2229 10.2229 10.8192 10.8192 10.9491 10.9491 11.3922 11.3922 11.4161 11.4161 12.5504 12.5504 12.6503 12.6503 12.8880 12.8880 12.9353 12.9353 15.6032 15.6032 15.6469 15.6469 17.4357 17.4357 17.5125 17.5125 18.4976 18.4976 18.6435 18.6435 k = 0.0818 0.1416 0.3603 ( 3678 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7044 -29.7044 -29.7043 -29.7043 3.7554 3.7554 3.7578 3.7578 10.2257 10.2257 10.2869 10.2869 10.8261 10.8261 10.9474 10.9474 11.3772 11.3772 11.4006 11.4006 12.5680 12.5680 12.6568 12.6568 12.8824 12.8824 12.9258 12.9258 15.5327 15.5327 15.5685 15.5685 17.5858 17.5858 17.6648 17.6648 18.5618 18.5618 18.7089 18.7089 k = 0.0755 0.1307 0.3603 ( 3682 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7041 -29.7041 -29.7041 -29.7041 3.7242 3.7242 3.7260 3.7260 10.2908 10.2908 10.3501 10.3501 10.8323 10.8323 10.9447 10.9447 11.3616 11.3616 11.3841 11.3841 12.5859 12.5859 12.6635 12.6635 12.8775 12.8775 12.9166 12.9166 15.4629 15.4629 15.4919 15.4919 17.7329 17.7329 17.8126 17.8126 18.6284 18.6284 18.7731 18.7731 k = 0.0692 0.1198 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7039 -29.7039 -29.7038 -29.7038 3.6951 3.6951 3.6966 3.6966 10.3550 10.3550 10.4120 10.4120 10.8380 10.8380 10.9412 10.9412 11.3455 11.3455 11.3668 11.3668 12.6039 12.6039 12.6703 12.6703 12.8728 12.8728 12.9075 12.9075 15.3949 15.3949 15.4179 15.4179 17.8759 17.8759 17.9544 17.9544 18.6965 18.6965 18.8351 18.8351 k = 0.0629 0.1089 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2169 -43.2169 -43.2169 -43.2169 -29.8073 -29.8073 -29.8073 -29.8073 -29.7037 -29.7037 -29.7036 -29.7036 3.6684 3.6684 3.6695 3.6695 10.4181 10.4181 10.4723 10.4723 10.8433 10.8433 10.9370 10.9370 11.3287 11.3287 11.3486 11.3486 12.6219 12.6219 12.6774 12.6774 12.8685 12.8685 12.8986 12.8986 15.3296 15.3296 15.3474 15.3474 18.0139 18.0139 18.0890 18.0890 18.7654 18.7654 18.8942 18.8942 k = 0.0566 0.0980 0.3603 ( 3688 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8073 -29.8073 -29.8073 -29.8073 -29.7035 -29.7035 -29.7034 -29.7034 3.6441 3.6441 3.6448 3.6448 10.4797 10.4797 10.5305 10.5305 10.8485 10.8485 10.9325 10.9325 11.3113 11.3113 11.3295 11.3295 12.6396 12.6396 12.6847 12.6847 12.8642 12.8642 12.8896 12.8896 15.2678 15.2678 15.2812 15.2812 18.1455 18.1455 18.2147 18.2147 18.8344 18.8344 18.9497 18.9497 k = 0.0503 0.0871 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8073 -29.8073 -29.8072 -29.8072 -29.7033 -29.7033 -29.7033 -29.7033 3.6221 3.6221 3.6227 3.6227 10.5392 10.5392 10.5859 10.5859 10.8539 10.8539 10.9277 10.9277 11.2932 11.2932 11.3094 11.3094 12.6567 12.6567 12.6922 12.6922 12.8598 12.8598 12.8807 12.8807 15.2102 15.2102 15.2199 15.2199 18.2694 18.2694 18.3302 18.3302 18.9030 18.9030 19.0015 19.0015 k = 0.0440 0.0763 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7031 -29.7031 -29.7031 -29.7031 3.6027 3.6027 3.6030 3.6030 10.5961 10.5961 10.6380 10.6380 10.8596 10.8596 10.9229 10.9229 11.2746 11.2746 11.2883 11.2883 12.6732 12.6732 12.6998 12.6998 12.8553 12.8553 12.8717 12.8717 15.1576 15.1576 15.1642 15.1642 18.3838 18.3838 18.4341 18.4341 18.9701 18.9701 19.0494 19.0494 k = 0.0377 0.0654 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7030 -29.7030 -29.7030 -29.7030 3.5857 3.5857 3.5859 3.5859 10.6497 10.6497 10.6858 10.6858 10.8663 10.8663 10.9185 10.9185 11.2555 11.2555 11.2665 11.2665 12.6887 12.6887 12.7076 12.7076 12.8506 12.8506 12.8627 12.8627 15.1104 15.1104 15.1147 15.1147 18.4869 18.4869 18.5251 18.5251 19.0346 19.0346 19.0937 19.0937 k = 0.0314 0.0545 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7029 -29.7029 -29.7029 -29.7029 3.5713 3.5713 3.5714 3.5714 10.6990 10.6990 10.7281 10.7281 10.8745 10.8745 10.9149 10.9149 11.2360 11.2360 11.2443 11.2443 12.7030 12.7030 12.7155 12.7155 12.8457 12.8457 12.8540 12.8540 15.0694 15.0694 15.0720 15.0720 18.5765 18.5765 18.6026 18.6026 19.0948 19.0948 19.1345 19.1345 k = 0.0252 0.0436 0.3603 ( 3686 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2167 -43.2167 -43.2167 -43.2167 -29.8072 -29.8072 -29.8072 -29.8072 -29.7028 -29.7028 -29.7028 -29.7028 3.5594 3.5594 3.5595 3.5595 10.7425 10.7425 10.7633 10.7633 10.8849 10.8849 10.9127 10.9127 11.2167 11.2167 11.2222 11.2222 12.7159 12.7159 12.7231 12.7231 12.8407 12.8407 12.8458 12.8458 15.0351 15.0351 15.0364 15.0364 18.6509 18.6509 18.6661 18.6661 19.1486 19.1486 19.1716 19.1716 k = 0.0189 0.0327 0.3603 ( 3690 PWs) bands (ev): -76.3208 -76.3208 -76.3208 -76.3208 -43.2167 -43.2167 -43.2167 -43.2167 -29.8072 -29.8072 -29.8072 -29.8072 -29.7027 -29.7027 -29.7027 -29.7027 3.5502 3.5502 3.5502 3.5502 10.7782 10.7782 10.7900 10.7900 10.8975 10.8975 10.9129 10.9129 11.1983 11.1983 11.2013 11.2013 12.7267 12.7267 12.7302 12.7302 12.8358 12.8358 12.8383 12.8383 15.0079 15.0079 15.0084 15.0084 18.7085 18.7085 18.7156 18.7156 19.1935 19.1935 19.2041 19.2041 k = 0.0126 0.0218 0.3603 ( 3698 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7027 -29.7027 -29.7027 -29.7027 3.5436 3.5436 3.5436 3.5436 10.8036 10.8036 10.8080 10.8080 10.9106 10.9106 10.9162 10.9162 11.1824 11.1824 11.1835 11.1835 12.7351 12.7351 12.7363 12.7363 12.8314 12.8314 12.8323 12.8323 14.9881 14.9881 14.9883 14.9883 18.7490 18.7490 18.7512 18.7512 19.2270 19.2270 19.2304 19.2304 k = 0.0063 0.0109 0.3603 ( 3706 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7026 -29.7026 -29.7026 -29.7026 3.5396 3.5396 3.5396 3.5396 10.8177 10.8177 10.8183 10.8183 10.9205 10.9205 10.9213 10.9213 11.1710 11.1710 11.1711 11.1711 12.7404 12.7404 12.7406 12.7406 12.8282 12.8282 12.8283 12.8283 14.9761 14.9761 14.9761 14.9761 18.7726 18.7726 18.7729 18.7729 19.2475 19.2475 19.2479 19.2479 k = 0.0000 0.0000 0.3603 ( 3710 PWs) bands (ev): -76.3209 -76.3209 -76.3209 -76.3209 -43.2168 -43.2168 -43.2168 -43.2168 -29.8072 -29.8072 -29.8072 -29.8072 -29.7026 -29.7026 -29.7026 -29.7026 3.5383 3.5383 3.5383 3.5383 10.8218 10.8218 10.8218 10.8218 10.9240 10.9240 10.9240 10.9240 11.1667 11.1667 11.1667 11.1667 12.7422 12.7422 12.7422 12.7422 12.8270 12.8270 12.8270 12.8270 14.9720 14.9720 14.9720 14.9720 18.7803 18.7803 18.7803 18.7803 19.2543 19.2543 19.2543 19.2543 k = 0.5000 0.2887 0.3603 ( 3708 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2179 -43.2179 -43.2179 -43.2179 -29.8082 -29.8082 -29.8082 -29.8082 -29.7119 -29.7119 -29.7119 -29.7119 5.0473 5.0473 5.0473 5.0473 8.6224 8.6224 8.6224 8.6224 10.8763 10.8763 10.8763 10.8763 11.3572 11.3572 11.3572 11.3572 12.6531 12.6531 12.6531 12.6531 13.3789 13.3789 13.3789 13.3789 13.7431 13.7431 13.7431 13.7431 16.8132 16.8132 16.8132 16.8132 18.6961 18.6961 18.6961 18.6961 k = 0.5000 0.2887 0.3478 ( 3702 PWs) bands (ev): -76.3211 -76.3211 -76.3201 -76.3201 -43.2194 -43.2194 -43.2165 -43.2165 -29.8161 -29.8161 -29.8002 -29.8002 -29.7134 -29.7134 -29.7104 -29.7104 5.0359 5.0359 5.0576 5.0576 8.5692 8.5692 8.6779 8.6779 10.8193 10.8193 10.9323 10.9323 11.3105 11.3105 11.4057 11.4057 12.6210 12.6210 12.6832 12.6832 13.3687 13.3687 13.3923 13.3923 13.7229 13.7229 13.7651 13.7651 16.6937 16.6937 16.9346 16.9346 18.6277 18.6277 18.7525 18.7525 k = 0.5000 0.2887 0.3354 ( 3710 PWs) bands (ev): -76.3216 -76.3216 -76.3196 -76.3196 -43.2208 -43.2208 -43.2151 -43.2151 -29.8240 -29.8240 -29.7923 -29.7923 -29.7148 -29.7148 -29.7090 -29.7090 5.0236 5.0236 5.0670 5.0670 8.5181 8.5181 8.7356 8.7356 10.7624 10.7624 10.9844 10.9844 11.2688 11.2688 11.4547 11.4547 12.5880 12.5880 12.7104 12.7104 13.3617 13.3617 13.4087 13.4087 13.7051 13.7051 13.7883 13.7883 16.5762 16.5762 17.0580 17.0580 18.5507 18.5507 18.7929 18.7929 k = 0.5000 0.2887 0.3230 ( 3704 PWs) bands (ev): -76.3221 -76.3221 -76.3191 -76.3191 -43.2222 -43.2222 -43.2136 -43.2136 -29.8318 -29.8318 -29.7844 -29.7844 -29.7163 -29.7163 -29.7075 -29.7075 5.0105 5.0105 5.0754 5.0754 8.4692 8.4692 8.7956 8.7956 10.7063 10.7063 11.0255 11.0255 11.2393 11.2393 11.5033 11.5033 12.5549 12.5549 12.7339 12.7339 13.3576 13.3576 13.4277 13.4277 13.6903 13.6903 13.8127 13.8127 16.4607 16.4607 17.1831 17.1831 18.4673 18.4673 18.8128 18.8128 k = 0.5000 0.2887 0.3106 ( 3700 PWs) bands (ev): -76.3226 -76.3226 -76.3186 -76.3186 -43.2236 -43.2236 -43.2122 -43.2122 -29.8396 -29.8396 -29.7766 -29.7766 -29.7176 -29.7176 -29.7061 -29.7061 4.9965 4.9965 5.0828 5.0828 8.4225 8.4225 8.8577 8.8577 10.6513 10.6513 11.0414 11.0414 11.2365 11.2365 11.5508 11.5508 12.5225 12.5225 12.7529 12.7529 13.3560 13.3560 13.4485 13.4485 13.6800 13.6800 13.8378 13.8378 16.3473 16.3473 17.3100 17.3100 18.3795 18.3795 18.8090 18.8090 k = 0.5000 0.2887 0.2981 ( 3704 PWs) bands (ev): -76.3231 -76.3231 -76.3182 -76.3182 -43.2251 -43.2251 -43.2108 -43.2108 -29.8472 -29.8472 -29.7688 -29.7688 -29.7190 -29.7190 -29.7047 -29.7047 4.9817 4.9817 5.0893 5.0893 8.3777 8.3777 8.9221 8.9221 10.5976 10.5976 11.0258 11.0258 11.2668 11.2668 11.5969 11.5969 12.4914 12.4914 12.7670 12.7670 13.3558 13.3558 13.4695 13.4695 13.6756 13.6756 13.8635 13.8635 16.2360 16.2360 17.4382 17.4382 18.2886 18.2886 18.7819 18.7819 k = 0.5000 0.2887 0.2857 ( 3708 PWs) bands (ev): -76.3235 -76.3235 -76.3177 -76.3177 -43.2264 -43.2264 -43.2095 -43.2095 -29.8548 -29.8548 -29.7612 -29.7612 -29.7204 -29.7204 -29.7033 -29.7033 4.9662 4.9662 5.0948 5.0948 8.3350 8.3350 8.9885 8.9885 10.5455 10.5455 10.9922 10.9922 11.3169 11.3169 11.6410 11.6410 12.4622 12.4622 12.7763 12.7763 13.3562 13.3562 13.4887 13.4887 13.6792 13.6792 13.8897 13.8897 16.1269 16.1269 17.5674 17.5674 18.1962 18.1962 18.7363 18.7363 k = 0.5000 0.2887 0.2733 ( 3712 PWs) bands (ev): -76.3240 -76.3240 -76.3172 -76.3172 -43.2278 -43.2278 -43.2081 -43.2081 -29.8622 -29.8622 -29.7538 -29.7538 -29.7217 -29.7217 -29.7019 -29.7019 4.9502 4.9502 5.0994 5.0994 8.2943 8.2943 9.0569 9.0569 10.4951 10.4951 10.9519 10.9519 11.3753 11.3753 11.6830 11.6830 12.4355 12.4355 12.7810 12.7810 13.3560 13.3560 13.5045 13.5045 13.6923 13.6923 13.9162 13.9162 16.0200 16.0200 17.6959 17.6959 18.1047 18.1047 18.6788 18.6788 k = 0.5000 0.2887 0.2609 ( 3708 PWs) bands (ev): -76.3245 -76.3245 -76.3168 -76.3168 -43.2291 -43.2291 -43.2068 -43.2068 -29.8694 -29.8694 -29.7465 -29.7465 -29.7229 -29.7229 -29.7005 -29.7005 4.9337 4.9337 5.1031 5.1031 8.2554 8.2554 9.1272 9.1272 10.4465 10.4465 10.9098 10.9098 11.4372 11.4372 11.7226 11.7226 12.4117 12.4117 12.7818 12.7818 13.3543 13.3543 13.5162 13.5162 13.7148 13.7148 13.9429 13.9429 15.9153 15.9153 17.8154 17.8154 18.0229 18.0229 18.6162 18.6162 k = 0.5000 0.2887 0.2485 ( 3712 PWs) bands (ev): -76.3249 -76.3249 -76.3163 -76.3163 -43.2304 -43.2304 -43.2056 -43.2056 -29.8764 -29.8764 -29.7396 -29.7396 -29.7239 -29.7239 -29.6992 -29.6992 4.9168 4.9168 5.1061 5.1061 8.2183 8.2183 9.1993 9.1993 10.3998 10.3998 10.8678 10.8678 11.5006 11.5006 11.7595 11.7595 12.3912 12.3912 12.7790 12.7790 13.3505 13.3505 13.5247 13.5247 13.7445 13.7445 13.9698 13.9698 15.8131 15.8131 17.8577 17.8577 18.0189 18.0189 18.5546 18.5546 k = 0.5000 0.2887 0.2360 ( 3712 PWs) bands (ev): -76.3254 -76.3254 -76.3159 -76.3159 -43.2317 -43.2317 -43.2043 -43.2043 -29.8832 -29.8832 -29.7335 -29.7335 -29.7243 -29.7243 -29.6979 -29.6979 4.8996 4.8996 5.1083 5.1083 8.1830 8.1830 9.2729 9.2729 10.3551 10.3551 10.8269 10.8269 11.5642 11.5642 11.7936 11.7936 12.3744 12.3744 12.7734 12.7734 13.3446 13.3446 13.5312 13.5312 13.7786 13.7786 13.9968 13.9968 15.7133 15.7133 17.7872 17.7872 18.1273 18.1273 18.4994 18.4994 k = 0.5000 0.2887 0.2236 ( 3712 PWs) bands (ev): -76.3258 -76.3258 -76.3154 -76.3154 -43.2329 -43.2329 -43.2032 -43.2032 -29.8897 -29.8897 -29.7299 -29.7299 -29.7223 -29.7223 -29.6967 -29.6967 4.8824 4.8824 5.1099 5.1099 8.1495 8.1495 9.3478 9.3478 10.3126 10.3126 10.7876 10.7876 11.6270 11.6270 11.8248 11.8248 12.3620 12.3620 12.7654 12.7654 13.3367 13.3367 13.5366 13.5366 13.8142 13.8142 14.0239 14.0239 15.6160 15.6160 17.6982 17.6982 18.2475 18.2475 18.4606 18.4606 k = 0.5000 0.2887 0.2112 ( 3714 PWs) bands (ev): -76.3262 -76.3262 -76.3150 -76.3150 -43.2340 -43.2340 -43.2021 -43.2021 -29.8961 -29.8961 -29.7297 -29.7297 -29.7172 -29.7172 -29.6954 -29.6954 4.8651 4.8651 5.1109 5.1109 8.1177 8.1177 9.4237 9.4237 10.2722 10.2722 10.7502 10.7502 11.6880 11.6880 11.8532 11.8532 12.3544 12.3544 12.7555 12.7555 13.3272 13.3272 13.5409 13.5409 13.8491 13.8491 14.0510 14.0510 15.5215 15.5215 17.6073 17.6073 18.3245 18.3245 18.4792 18.4792 k = 0.5000 0.2887 0.1988 ( 3710 PWs) bands (ev): -76.3266 -76.3266 -76.3146 -76.3146 -43.2351 -43.2351 -43.2009 -43.2009 -29.9021 -29.9021 -29.7304 -29.7304 -29.7113 -29.7113 -29.6943 -29.6943 4.8480 4.8480 5.1113 5.1113 8.0875 8.0875 9.5004 9.5004 10.2342 10.2342 10.7149 10.7149 11.7459 11.7459 11.8790 11.8790 12.3523 12.3523 12.7441 12.7441 13.3166 13.3166 13.5441 13.5441 13.8817 13.8817 14.0781 14.0781 15.4301 15.4301 17.5175 17.5175 18.3254 18.3254 18.5870 18.5870 k = 0.5000 0.2887 0.1863 ( 3706 PWs) bands (ev): -76.3269 -76.3269 -76.3143 -76.3143 -43.2362 -43.2362 -43.1998 -43.1998 -29.9079 -29.9079 -29.7312 -29.7312 -29.7054 -29.7054 -29.6932 -29.6932 4.8311 4.8311 5.1113 5.1113 8.0590 8.0590 9.5773 9.5773 10.1987 10.1987 10.6819 10.6819 11.7990 11.7990 11.9029 11.9029 12.3564 12.3564 12.7315 12.7315 13.3052 13.3052 13.5459 13.5459 13.9107 13.9107 14.1052 14.1052 15.3419 15.3419 17.4298 17.4298 18.3112 18.3112 18.7233 18.7233 k = 0.5000 0.2887 0.1739 ( 3712 PWs) bands (ev): -76.3273 -76.3273 -76.3139 -76.3139 -43.2373 -43.2373 -43.1988 -43.1988 -29.9134 -29.9134 -29.7322 -29.7322 -29.6998 -29.6998 -29.6921 -29.6921 4.8146 4.8146 5.1109 5.1109 8.0321 8.0321 9.6539 9.6539 10.1660 10.1660 10.6511 10.6511 11.8448 11.8448 11.9262 11.9262 12.3676 12.3676 12.7178 12.7178 13.2934 13.2934 13.5458 13.5458 13.9353 13.9353 14.1319 14.1319 15.2571 15.2571 17.3451 17.3451 18.3034 18.3034 18.8668 18.8668 k = 0.5000 0.2887 0.1615 ( 3712 PWs) bands (ev): -76.3276 -76.3276 -76.3136 -76.3136 -43.2383 -43.2383 -43.1978 -43.1978 -29.9186 -29.9186 -29.7331 -29.7331 -29.6945 -29.6945 -29.6911 -29.6911 4.7986 4.7986 5.1102 5.1102 8.0069 8.0069 9.7293 9.7293 10.1366 10.1366 10.6228 10.6228 11.8802 11.8802 11.9510 11.9510 12.3867 12.3867 12.7032 12.7032 13.2815 13.2815 13.5437 13.5437 13.9550 13.9550 14.1579 14.1579 15.1763 15.1763 17.2640 17.2640 18.3057 18.3057 19.0135 19.0135 k = 0.5000 0.2887 0.1491 ( 3726 PWs) bands (ev): -76.3280 -76.3280 -76.3133 -76.3133 -43.2392 -43.2392 -43.1970 -43.1970 -29.9235 -29.9235 -29.7340 -29.7340 -29.6906 -29.6906 -29.6890 -29.6890 4.7832 4.7832 5.1092 5.1092 7.9834 7.9834 9.8021 9.8021 10.1113 10.1113 10.5967 10.5967 11.9041 11.9041 11.9776 11.9776 12.4138 12.4138 12.6880 12.6880 13.2697 13.2697 13.5393 13.5393 13.9698 13.9698 14.1829 14.1829 15.0996 15.0996 17.1868 17.1868 18.3190 18.3190 19.1620 19.1620 k = 0.5000 0.2887 0.1367 ( 3726 PWs) bands (ev): -76.3283 -76.3283 -76.3130 -76.3130 -43.2401 -43.2401 -43.1962 -43.1962 -29.9280 -29.9280 -29.7348 -29.7348 -29.6895 -29.6895 -29.6845 -29.6845 4.7686 4.7686 5.1081 5.1081 7.9616 7.9616 9.8694 9.8694 10.0928 10.0928 10.5729 10.5729 11.9189 11.9189 12.0036 12.0036 12.4487 12.4487 12.6724 12.6724 13.2580 13.2580 13.5326 13.5326 13.9798 13.9798 14.2065 14.2065 15.0275 15.0275 17.1143 17.1143 18.3430 18.3430 19.3113 19.3113 k = 0.5000 0.2887 0.1242 ( 3728 PWs) bands (ev): -76.3285 -76.3285 -76.3127 -76.3127 -43.2409 -43.2409 -43.1955 -43.1955 -29.9322 -29.9322 -29.7356 -29.7356 -29.6887 -29.6887 -29.6802 -29.6802 4.7549 4.7549 5.1068 5.1068 7.9416 7.9416 9.9243 9.9243 10.0873 10.0873 10.5516 10.5516 11.9277 11.9277 12.0265 12.0265 12.4906 12.4906 12.6565 12.6565 13.2468 13.2468 13.5233 13.5233 13.9852 13.9852 14.2284 14.2284 14.9607 14.9607 17.0466 17.0466 18.3768 18.3768 19.4601 19.4601 k = 0.5000 0.2887 0.1118 ( 3728 PWs) bands (ev): -76.3288 -76.3288 -76.3125 -76.3125 -43.2416 -43.2416 -43.1948 -43.1948 -29.9360 -29.9360 -29.7363 -29.7363 -29.6879 -29.6879 -29.6762 -29.6762 4.7422 4.7422 5.1055 5.1055 7.9233 7.9233 9.9543 9.9543 10.1063 10.1063 10.5325 10.5325 11.9324 11.9324 12.0453 12.0453 12.5378 12.5378 12.6408 12.6408 13.2358 13.2358 13.5117 13.5117 13.9864 13.9864 14.2483 14.2483 14.8996 14.8996 16.9842 16.9842 18.4191 18.4191 19.6067 19.6067 k = 0.5000 0.2887 0.0994 ( 3728 PWs) bands (ev): -76.3290 -76.3290 -76.3123 -76.3123 -43.2422 -43.2422 -43.1941 -43.1941 -29.9394 -29.9394 -29.7369 -29.7369 -29.6873 -29.6873 -29.6726 -29.6726 4.7305 4.7305 5.1041 5.1041 7.9067 7.9067 9.9588 9.9588 10.1499 10.1499 10.5157 10.5157 11.9341 11.9341 12.0602 12.0602 12.5880 12.5880 12.6262 12.6262 13.2252 13.2252 13.4978 13.4978 13.9839 13.9839 14.2662 14.2662 14.8446 14.8446 16.9274 16.9274 18.4682 18.4682 19.7478 19.7478 k = 0.5000 0.2887 0.0870 ( 3718 PWs) bands (ev): -76.3292 -76.3292 -76.3121 -76.3121 -43.2428 -43.2428 -43.1935 -43.1935 -29.9424 -29.9424 -29.7375 -29.7375 -29.6867 -29.6867 -29.6693 -29.6693 4.7200 4.7200 5.1028 5.1028 7.8921 7.8921 9.9517 9.9517 10.2033 10.2033 10.5012 10.5012 11.9333 11.9333 12.0719 12.0719 12.6078 12.6078 12.6447 12.6447 13.2149 13.2149 13.4822 13.4822 13.9782 13.9782 14.2820 14.2820 14.7962 14.7962 16.8766 16.8766 18.5218 18.5218 19.8774 19.8774 k = 0.5000 0.2887 0.0745 ( 3714 PWs) bands (ev): -76.3293 -76.3293 -76.3119 -76.3119 -43.2432 -43.2432 -43.1930 -43.1930 -29.9451 -29.9451 -29.7380 -29.7380 -29.6862 -29.6862 -29.6665 -29.6665 4.7107 4.7107 5.1016 5.1016 7.8793 7.8793 9.9414 9.9414 10.2568 10.2568 10.4890 10.4890 11.9307 11.9307 12.0811 12.0811 12.5948 12.5948 12.6974 12.6974 13.2048 13.2048 13.4651 13.4651 13.9702 13.9702 14.2955 14.2955 14.7546 14.7546 16.8320 16.8320 18.5775 18.5775 19.9854 19.9854 k = 0.5000 0.2887 0.0621 ( 3714 PWs) bands (ev): -76.3295 -76.3295 -76.3117 -76.3117 -43.2437 -43.2437 -43.1926 -43.1926 -29.9473 -29.9473 -29.7384 -29.7384 -29.6857 -29.6857 -29.6641 -29.6641 4.7027 4.7027 5.1005 5.1005 7.8684 7.8684 9.9311 9.9311 10.3060 10.3060 10.4792 10.4792 11.9269 11.9269 12.0881 12.0881 12.5823 12.5823 12.7497 12.7497 13.1948 13.1948 13.4472 13.4472 13.9607 13.9607 14.3068 14.3068 14.7199 14.7199 16.7938 16.7938 18.6326 18.6326 20.0621 20.0621 k = 0.5000 0.2887 0.0497 ( 3706 PWs) bands (ev): -76.3296 -76.3296 -76.3116 -76.3116 -43.2440 -43.2440 -43.1922 -43.1922 -29.9492 -29.9492 -29.7387 -29.7387 -29.6854 -29.6854 -29.6621 -29.6621 4.6961 4.6961 5.0996 5.0996 7.8594 7.8594 9.9220 9.9220 10.3484 10.3484 10.4720 10.4720 11.9223 11.9223 12.0934 12.0934 12.5714 12.5714 12.7990 12.7990 13.1846 13.1846 13.4295 13.4295 13.9509 13.9509 14.3159 14.3159 14.6922 14.6922 16.7623 16.7623 18.6839 18.6839 20.1078 20.1078 k = 0.5000 0.2887 0.0373 ( 3708 PWs) bands (ev): -76.3297 -76.3297 -76.3115 -76.3115 -43.2443 -43.2443 -43.1919 -43.1919 -29.9506 -29.9506 -29.7390 -29.7390 -29.6851 -29.6851 -29.6605 -29.6605 4.6909 4.6909 5.0988 5.0988 7.8524 7.8524 9.9146 9.9146 10.3817 10.3817 10.4679 10.4679 11.9177 11.9177 12.0973 12.0973 12.5626 12.5626 12.8431 12.8431 13.1745 13.1745 13.4133 13.4133 13.9417 13.9417 14.3229 14.3229 14.6711 14.6711 16.7376 16.7376 18.7283 18.7283 20.1323 20.1323 k = 0.5000 0.2887 0.0248 ( 3712 PWs) bands (ev): -76.3298 -76.3298 -76.3115 -76.3115 -43.2445 -43.2445 -43.1918 -43.1918 -29.9517 -29.9517 -29.7392 -29.7392 -29.6849 -29.6849 -29.6594 -29.6594 4.6872 4.6872 5.0983 5.0983 7.8474 7.8474 9.9091 9.9091 10.4043 10.4043 10.4673 10.4673 11.9138 11.9138 12.1000 12.1000 12.5560 12.5560 12.8792 12.8792 13.1650 13.1650 13.4000 13.4000 13.9342 13.9342 14.3277 14.3277 14.6563 14.6563 16.7198 16.7198 18.7628 18.7628 20.1446 20.1446 k = 0.5000 0.2887 0.0124 ( 3702 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1916 -43.1916 -29.9523 -29.9523 -29.7393 -29.7393 -29.6848 -29.6848 -29.6588 -29.6588 4.6849 4.6849 5.0979 5.0979 7.8444 7.8444 9.9059 9.9059 10.4159 10.4159 10.4693 10.4693 11.9112 11.9112 12.1016 12.1016 12.5520 12.5520 12.9034 12.9034 13.1577 13.1577 13.3912 13.3912 13.9294 13.9294 14.3306 14.3306 14.6476 14.6476 16.7092 16.7092 18.7847 18.7847 20.1500 20.1500 k = 0.5000 0.2887-0.0000 ( 3694 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1915 -43.1915 -29.9525 -29.9525 -29.7394 -29.7394 -29.6847 -29.6847 -29.6585 -29.6585 4.6841 4.6841 5.0978 5.0978 7.8434 7.8434 9.9048 9.9048 10.4193 10.4193 10.4706 10.4706 11.9103 11.9103 12.1021 12.1021 12.5507 12.5507 12.9121 12.9121 13.1549 13.1549 13.3881 13.3881 13.9278 13.9278 14.3316 14.3316 14.6447 14.6447 16.7057 16.7057 18.7923 18.7923 20.1515 20.1515 k = 0.3333 0.5774-0.0000 ( 3705 PWs) bands (ev): -76.3298 -76.3298 -76.3113 -76.3113 -43.2447 -43.2447 -43.1918 -43.1918 -29.9523 -29.9523 -29.7407 -29.7407 -29.6857 -29.6857 -29.6590 -29.6590 5.1182 5.1182 5.2434 5.2434 7.7456 7.7456 9.4457 9.4457 9.5500 9.5500 11.1069 11.1069 11.2585 11.2585 11.6377 11.6377 12.8527 12.8527 13.1592 13.1592 13.5715 13.5715 13.7262 13.7262 14.2039 14.2039 14.6180 14.6180 15.7634 15.7634 16.0157 16.0157 17.3108 17.3108 17.6215 17.6215 k = 0.3333 0.5774 0.0124 ( 3717 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1920 -43.1920 -29.9521 -29.9521 -29.7407 -29.7407 -29.6857 -29.6857 -29.6593 -29.6593 5.1183 5.1183 5.2436 5.2436 7.7481 7.7481 9.4457 9.4457 9.5500 9.5500 11.1066 11.1066 11.2585 11.2585 11.6386 11.6386 12.8525 12.8525 13.1409 13.1409 13.5802 13.5802 13.7261 13.7261 14.2055 14.2055 14.6173 14.6173 15.7591 15.7591 16.0117 16.0117 17.3196 17.3196 17.6296 17.6296 k = 0.3333 0.5774 0.0248 ( 3726 PWs) bands (ev): -76.3298 -76.3298 -76.3114 -76.3114 -43.2446 -43.2446 -43.1921 -43.1921 -29.9515 -29.9515 -29.7405 -29.7405 -29.6858 -29.6858 -29.6600 -29.6600 5.1188 5.1188 5.2441 5.2441 7.7558 7.7558 9.4457 9.4457 9.5501 9.5501 11.1058 11.1058 11.2585 11.2585 11.6413 11.6413 12.8521 12.8521 13.0907 13.0907 13.5999 13.5999 13.7271 13.7271 14.2105 14.2105 14.6156 14.6156 15.7463 15.7463 15.9999 15.9999 17.3455 17.3455 17.6536 17.6536 k = 0.3333 0.5774 0.0373 ( 3732 PWs) bands (ev): -76.3297 -76.3297 -76.3115 -76.3115 -43.2444 -43.2444 -43.1923 -43.1923 -29.9505 -29.9505 -29.7403 -29.7403 -29.6861 -29.6861 -29.6611 -29.6611 5.1196 5.1196 5.2448 5.2448 7.7685 7.7685 9.4457 9.4457 9.5502 9.5502 11.1044 11.1044 11.2586 11.2586 11.6460 11.6460 12.8513 12.8513 13.0184 13.0184 13.6171 13.6171 13.7337 13.7337 14.2188 14.2188 14.6129 14.6129 15.7258 15.7258 15.9812 15.9812 17.3877 17.3877 17.6928 17.6928 k = 0.3333 0.5774 0.0497 ( 3732 PWs) bands (ev): -76.3296 -76.3296 -76.3116 -76.3116 -43.2442 -43.2442 -43.1925 -43.1925 -29.9491 -29.9491 -29.7401 -29.7401 -29.6863 -29.6863 -29.6626 -29.6626 5.1207 5.1207 5.2459 5.2459 7.7863 7.7863 9.4457 9.4457 9.5504 9.5504 11.1027 11.1027 11.2586 11.2586 11.6527 11.6527 12.8501 12.8501 12.9311 12.9311 13.6215 13.6215 13.7496 13.7496 14.2299 14.2299 14.6093 14.6093 15.6986 15.6986 15.9568 15.9568 17.4448 17.4448 17.7462 17.7462 k = 0.3333 0.5774 0.0621 ( 3726 PWs) bands (ev): -76.3295 -76.3295 -76.3117 -76.3117 -43.2438 -43.2438 -43.1928 -43.1928 -29.9472 -29.9472 -29.7397 -29.7397 -29.6867 -29.6867 -29.6646 -29.6646 5.1221 5.1221 5.2473 5.2473 7.8092 7.8092 9.4456 9.4456 9.5506 9.5506 11.1005 11.1005 11.2585 11.2585 11.6616 11.6616 12.8332 12.8332 12.8485 12.8485 13.6124 13.6124 13.7717 13.7717 14.2437 14.2437 14.6049 14.6049 15.6657 15.6657 15.9278 15.9278 17.5152 17.5152 17.8126 17.8126 k = 0.3333 0.5774 0.0745 ( 3738 PWs) bands (ev): -76.3293 -76.3293 -76.3119 -76.3119 -43.2435 -43.2435 -43.1933 -43.1933 -29.9450 -29.9450 -29.7393 -29.7393 -29.6872 -29.6872 -29.6670 -29.6670 5.1237 5.1237 5.2489 5.2489 7.8371 7.8371 9.4455 9.4455 9.5507 9.5507 11.0981 11.0981 11.2582 11.2582 11.6727 11.6727 12.7274 12.7274 12.8464 12.8464 13.5942 13.5942 13.7939 13.7939 14.2598 14.2598 14.5997 14.5997 15.6283 15.6283 15.8955 15.8955 17.5974 17.5974 17.8906 17.8906 k = 0.3333 0.5774 0.0870 ( 3735 PWs) bands (ev): -76.3292 -76.3292 -76.3121 -76.3121 -43.2430 -43.2430 -43.1937 -43.1937 -29.9424 -29.9424 -29.7387 -29.7387 -29.6877 -29.6877 -29.6698 -29.6698 5.1257 5.1257 5.2508 5.2508 7.8700 7.8700 9.4453 9.4453 9.5509 9.5509 11.0954 11.0954 11.2577 11.2577 11.6861 11.6861 12.6154 12.6154 12.8438 12.8438 13.5701 13.5701 13.8123 13.8123 14.2780 14.2780 14.5941 14.5941 15.5876 15.5876 15.8607 15.8607 17.6902 17.6902 17.9792 17.9792 k = 0.3333 0.5774 0.0994 ( 3741 PWs) bands (ev): -76.3290 -76.3290 -76.3123 -76.3123 -43.2424 -43.2424 -43.1943 -43.1943 -29.9393 -29.9393 -29.7382 -29.7382 -29.6883 -29.6883 -29.6731 -29.6731 5.1278 5.1278 5.2529 5.2529 7.9078 7.9078 9.4451 9.4451 9.5510 9.5510 11.0927 11.0927 11.2571 11.2571 11.7017 11.7017 12.4984 12.4984 12.8405 12.8405 13.5418 13.5418 13.8250 13.8250 14.2979 14.2979 14.5882 14.5882 15.5445 15.5445 15.8242 15.8242 17.7924 17.7924 18.0772 18.0772 k = 0.3333 0.5774 0.1118 ( 3729 PWs) bands (ev): -76.3287 -76.3287 -76.3125 -76.3125 -43.2417 -43.2417 -43.1950 -43.1950 -29.9359 -29.9359 -29.7375 -29.7375 -29.6889 -29.6889 -29.6767 -29.6767 5.1302 5.1302 5.2553 5.2553 7.9506 7.9506 9.4447 9.4447 9.5510 9.5510 11.0901 11.0901 11.2562 11.2562 11.7197 11.7197 12.3776 12.3776 12.8365 12.8365 13.5103 13.5103 13.8312 13.8312 14.3195 14.3195 14.5822 14.5822 15.4998 15.4998 15.7866 15.7866 17.9029 17.9029 18.1835 18.1835 k = 0.3333 0.5774 0.1242 ( 3735 PWs) bands (ev): -76.3285 -76.3285 -76.3127 -76.3127 -43.2409 -43.2409 -43.1957 -43.1957 -29.9321 -29.9321 -29.7368 -29.7368 -29.6896 -29.6896 -29.6807 -29.6807 5.1328 5.1328 5.2578 5.2578 7.9981 7.9981 9.4442 9.4442 9.5509 9.5509 11.0875 11.0875 11.2552 11.2552 11.7396 11.7396 12.2540 12.2540 12.8317 12.8317 13.4763 13.4763 13.8307 13.8307 14.3425 14.3425 14.5763 14.5763 15.4542 15.4542 15.7481 15.7481 18.0209 18.0209 18.2973 18.2973 k = 0.3333 0.5774 0.1367 ( 3729 PWs) bands (ev): -76.3282 -76.3282 -76.3130 -76.3130 -43.2402 -43.2402 -43.1964 -43.1964 -29.9279 -29.9279 -29.7360 -29.7360 -29.6904 -29.6904 -29.6851 -29.6851 5.1355 5.1355 5.2605 5.2605 8.0504 8.0504 9.4436 9.4436 9.5507 9.5507 11.0852 11.0852 11.2542 11.2542 11.7606 11.7606 12.1292 12.1292 12.8261 12.8261 13.4403 13.4403 13.8234 13.8234 14.3669 14.3669 14.5710 14.5710 15.4082 15.4082 15.7091 15.7091 18.1457 18.1457 18.4177 18.4177 k = 0.3333 0.5774 0.1491 ( 3717 PWs) bands (ev): -76.3279 -76.3279 -76.3132 -76.3132 -43.2393 -43.2393 -43.1972 -43.1972 -29.9234 -29.9234 -29.7351 -29.7351 -29.6913 -29.6913 -29.6899 -29.6899 5.1383 5.1383 5.2633 5.2633 8.1075 8.1075 9.4428 9.4428 9.5503 9.5503 11.0832 11.0832 11.2531 11.2531 11.7790 11.7790 12.0072 12.0072 12.8197 12.8197 13.4030 13.4030 13.8098 13.8098 14.3926 14.3926 14.5663 14.5663 15.3623 15.3623 15.6697 15.6697 18.2767 18.2767 18.5442 18.5442 k = 0.3333 0.5774 0.1615 ( 3717 PWs) bands (ev): -76.3276 -76.3276 -76.3136 -76.3136 -43.2384 -43.2384 -43.1981 -43.1981 -29.9185 -29.9185 -29.7342 -29.7342 -29.6950 -29.6950 -29.6922 -29.6922 5.1413 5.1413 5.2662 5.2662 8.1691 8.1691 9.4419 9.4419 9.5498 9.5498 11.0816 11.0816 11.2520 11.2520 11.7742 11.7742 11.9091 11.9091 12.8124 12.8124 13.3645 13.3645 13.7900 13.7900 14.4194 14.4194 14.5624 14.5624 15.3169 15.3169 15.6300 15.6300 18.4134 18.4134 18.6760 18.6760 k = 0.3333 0.5774 0.1739 ( 3723 PWs) bands (ev): -76.3273 -76.3273 -76.3139 -76.3139 -43.2374 -43.2374 -43.1990 -43.1990 -29.9133 -29.9133 -29.7332 -29.7332 -29.7004 -29.7004 -29.6933 -29.6933 5.1443 5.1443 5.2692 5.2692 8.2353 8.2353 9.4408 9.4408 9.5490 9.5490 11.0804 11.0804 11.2511 11.2511 11.6924 11.6924 11.8891 11.8891 12.8043 12.8043 13.3252 13.3252 13.7647 13.7647 14.4474 14.4474 14.5596 14.5596 15.2720 15.2720 15.5900 15.5900 18.5554 18.5554 18.8126 18.8126 k = 0.3333 0.5774 0.1863 ( 3717 PWs) bands (ev): -76.3269 -76.3269 -76.3143 -76.3143 -43.2364 -43.2364 -43.2000 -43.2000 -29.9079 -29.9079 -29.7321 -29.7321 -29.7061 -29.7061 -29.6943 -29.6943 5.1474 5.1474 5.2722 5.2722 8.3060 8.3060 9.4396 9.4396 9.5481 9.5481 11.0798 11.0798 11.2504 11.2504 11.5693 11.5693 11.9118 11.9118 12.7955 12.7955 13.2854 13.2854 13.7345 13.7345 14.4764 14.4764 14.5582 14.5582 15.2280 15.2280 15.5500 15.5500 18.7021 18.7021 18.9535 18.9535 k = 0.3333 0.5774 0.1988 ( 3732 PWs) bands (ev): -76.3266 -76.3266 -76.3147 -76.3147 -43.2354 -43.2354 -43.2011 -43.2011 -29.9021 -29.9021 -29.7310 -29.7310 -29.7122 -29.7122 -29.6954 -29.6954 5.1504 5.1504 5.2751 5.2751 8.3810 8.3810 9.4381 9.4381 9.5470 9.5470 11.0796 11.0796 11.2499 11.2499 11.4374 11.4374 11.9448 11.9448 12.7860 12.7860 13.2455 13.2455 13.7000 13.7000 14.5064 14.5064 14.5581 14.5581 15.1850 15.1850 15.5098 15.5098 18.8531 18.8531 19.0981 19.0981 k = 0.3333 0.5774 0.2112 ( 3732 PWs) bands (ev): -76.3262 -76.3262 -76.3150 -76.3150 -43.2343 -43.2343 -43.2022 -43.2022 -29.8961 -29.8961 -29.7299 -29.7299 -29.7185 -29.7185 -29.6966 -29.6966 5.1534 5.1534 5.2781 5.2781 8.4602 8.4602 9.4367 9.4367 9.5457 9.5457 11.0800 11.0800 11.2494 11.2494 11.3033 11.3033 11.9822 11.9822 12.7760 12.7760 13.2056 13.2056 13.6620 13.6620 14.5372 14.5372 14.5598 14.5598 15.1431 15.1431 15.4696 15.4696 19.0082 19.0082 19.2459 19.2459 k = 0.3333 0.5774 0.2236 ( 3720 PWs) bands (ev): -76.3257 -76.3257 -76.3155 -76.3155 -43.2331 -43.2331 -43.2032 -43.2032 -29.8897 -29.8897 -29.7286 -29.7286 -29.7251 -29.7251 -29.6978 -29.6978 5.1563 5.1563 5.2809 5.2809 8.5435 8.5435 9.4351 9.4351 9.5444 9.5444 11.0809 11.0809 11.1663 11.1663 11.2508 11.2508 12.0226 12.0226 12.7656 12.7656 13.1661 13.1661 13.6214 13.6214 14.5632 14.5632 14.5690 14.5690 15.1024 15.1024 15.4295 15.4295 19.1667 19.1667 19.3961 19.3961 k = 0.3333 0.5774 0.2360 ( 3717 PWs) bands (ev): -76.3253 -76.3253 -76.3159 -76.3159 -43.2319 -43.2319 -43.2044 -43.2044 -29.8831 -29.8831 -29.7319 -29.7319 -29.7274 -29.7274 -29.6991 -29.6991 5.1591 5.1591 5.2837 5.2837 8.6309 8.6309 9.4335 9.4336 9.5429 9.5429 11.0305 11.0305 11.0822 11.0822 11.2512 11.2512 12.0651 12.0651 12.7550 12.7550 13.1269 13.1269 13.5790 13.5790 14.5683 14.5683 14.6014 14.6014 15.0630 15.0630 15.3894 15.3894 19.3282 19.3282 19.5482 19.5482 k = 0.3333 0.5774 0.2485 ( 3717 PWs) bands (ev): -76.3249 -76.3249 -76.3163 -76.3163 -43.2306 -43.2306 -43.2057 -43.2057 -29.8763 -29.8763 -29.7389 -29.7389 -29.7261 -29.7261 -29.7004 -29.7004 5.1618 5.1618 5.2863 5.2863 8.7220 8.7220 9.4320 9.4320 9.5414 9.5414 10.8945 10.8945 11.0839 11.0839 11.2520 11.2520 12.1094 12.1094 12.7444 12.7444 13.0883 13.0883 13.5358 13.5358 14.5753 14.5753 14.6343 14.6343 15.0248 15.0248 15.3495 15.3495 19.4920 19.4920 19.7011 19.7011 k = 0.3333 0.5774 0.2609 ( 3720 PWs) bands (ev): -76.3244 -76.3244 -76.3167 -76.3167 -43.2293 -43.2293 -43.2070 -43.2070 -29.8693 -29.8693 -29.7461 -29.7461 -29.7248 -29.7248 -29.7017 -29.7017 5.1643 5.1643 5.2887 5.2887 8.8168 8.8168 9.4306 9.4306 9.5399 9.5399 10.7591 10.7591 11.0858 11.0858 11.2531 11.2531 12.1547 12.1547 12.7341 12.7341 13.0502 13.0502 13.4927 13.4927 14.5841 14.5841 14.6678 14.6678 14.9880 14.9880 15.3098 15.3098 19.6573 19.6573 19.8537 19.8537 k = 0.3333 0.5774 0.2733 ( 3720 PWs) bands (ev): -76.3240 -76.3240 -76.3172 -76.3172 -43.2280 -43.2280 -43.2083 -43.2083 -29.8621 -29.8621 -29.7535 -29.7535 -29.7234 -29.7234 -29.7031 -29.7031 5.1666 5.1666 5.2909 5.2909 8.9149 8.9149 9.4294 9.4294 9.5384 9.5384 10.6246 10.6246 11.0879 11.0879 11.2544 11.2544 12.2008 12.2008 12.7242 12.7242 13.0128 13.0128 13.4509 13.4509 14.5948 14.5948 14.7017 14.7017 14.9526 14.9526 15.2706 15.2706 19.8231 19.8231 20.0045 20.0045 k = 0.3333 0.5774 0.2857 ( 3732 PWs) bands (ev): -76.3235 -76.3235 -76.3177 -76.3177 -43.2268 -43.2268 -43.2096 -43.2096 -29.8548 -29.8548 -29.7611 -29.7611 -29.7220 -29.7220 -29.7045 -29.7045 5.1686 5.1686 5.2929 5.2929 9.0161 9.0161 9.4285 9.4285 9.5370 9.5370 10.4913 10.4913 11.0899 11.0899 11.2557 11.2557 12.2468 12.2468 12.7151 12.7151 12.9760 12.9760 13.4115 13.4115 14.6073 14.6073 14.7357 14.7357 14.9188 14.9188 15.2319 15.2319 19.9877 19.9877 20.1516 20.1516 k = 0.3333 0.5774 0.2981 ( 3735 PWs) bands (ev): -76.3230 -76.3230 -76.3182 -76.3182 -43.2254 -43.2254 -43.2110 -43.2110 -29.8473 -29.8473 -29.7687 -29.7687 -29.7206 -29.7206 -29.7059 -29.7059 5.1703 5.1703 5.2946 5.2946 9.1197 9.1197 9.4285 9.4285 9.5357 9.5357 10.3595 10.3595 11.0920 11.0920 11.2571 11.2571 12.2919 12.2919 12.7069 12.7069 12.9404 12.9404 13.3758 13.3758 14.6213 14.6213 14.7696 14.7696 14.8866 14.8866 15.1941 15.1941 20.1489 20.1489 20.2920 20.2920 k = 0.3333 0.5774 0.3106 ( 3741 PWs) bands (ev): -76.3226 -76.3226 -76.3187 -76.3187 -43.2240 -43.2240 -43.2124 -43.2124 -29.8397 -29.8397 -29.7765 -29.7765 -29.7192 -29.7192 -29.7074 -29.7074 5.1718 5.1718 5.2960 5.2960 9.2243 9.2243 9.4303 9.4303 9.5346 9.5346 10.2299 10.2299 11.0938 11.0938 11.2584 11.2584 12.3347 12.3347 12.6998 12.6998 12.9064 12.9064 13.3448 13.3448 14.6367 14.6367 14.8029 14.8029 14.8564 14.8564 15.1575 15.1575 20.3030 20.3030 20.4218 20.4218 k = 0.3333 0.5774 0.3230 ( 3741 PWs) bands (ev): -76.3221 -76.3221 -76.3192 -76.3192 -43.2226 -43.2226 -43.2138 -43.2138 -29.8319 -29.8319 -29.7844 -29.7844 -29.7177 -29.7177 -29.7088 -29.7088 5.1730 5.1730 5.2971 5.2971 9.3241 9.3241 9.4392 9.4392 9.5337 9.5337 10.1032 10.1032 11.0954 11.0954 11.2595 11.2595 12.3734 12.3734 12.6941 12.6941 12.8754 12.8754 13.3196 13.3196 14.6529 14.6529 14.8287 14.8287 14.8346 14.8346 15.1233 15.1233 20.4440 20.4440 20.5356 20.5356 k = 0.3333 0.5774 0.3354 ( 3738 PWs) bands (ev): -76.3216 -76.3216 -76.3197 -76.3197 -43.2212 -43.2212 -43.2153 -43.2153 -29.8240 -29.8240 -29.7923 -29.7923 -29.7163 -29.7163 -29.7102 -29.7102 5.1738 5.1738 5.2980 5.2980 9.3889 9.3889 9.4834 9.4834 9.5331 9.5331 9.9811 9.9811 11.0966 11.0966 11.2604 11.2604 12.4051 12.4051 12.6900 12.6900 12.8493 12.8493 13.3009 13.3009 14.6690 14.6690 14.8044 14.8044 14.8631 14.8631 15.0930 15.0930 20.5624 20.5624 20.6262 20.6262 k = 0.3333 0.5774 0.3478 ( 3753 PWs) bands (ev): -76.3211 -76.3211 -76.3202 -76.3202 -43.2197 -43.2197 -43.2168 -43.2168 -29.8161 -29.8161 -29.8003 -29.8003 -29.7150 -29.7150 -29.7116 -29.7116 5.1743 5.1743 5.2984 5.2984 9.4044 9.4044 9.5326 9.5326 9.5712 9.5712 9.8700 9.8700 11.0973 11.0973 11.2609 11.2609 12.4266 12.4266 12.6874 12.6874 12.8314 12.8314 13.2895 13.2895 14.6822 14.6822 14.7862 14.7862 14.8845 14.8845 15.0705 15.0705 20.6441 20.6441 20.6854 20.6854 k = 0.3333 0.5774 0.3603 ( 3750 PWs) bands (ev): -76.3206 -76.3206 -76.3206 -76.3206 -43.2185 -43.2185 -43.2181 -43.2181 -29.8085 -29.8085 -29.8080 -29.8080 -29.7141 -29.7141 -29.7125 -29.7125 5.1745 5.1745 5.2986 5.2986 9.4069 9.4069 9.5325 9.5325 9.6276 9.6276 9.8085 9.8085 11.0976 11.0976 11.2611 11.2611 12.4343 12.4343 12.6865 12.6865 12.8250 12.8250 13.2856 13.2856 14.6879 14.6879 14.7789 14.7789 14.8930 14.8930 15.0617 15.0617 20.6738 20.6738 20.7061 20.7061 Writing output data file SbIr.save init_run : 0.22s CPU 0.38s WALL ( 1 calls) electrons : 118.34s CPU 120.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 118.33s CPU 120.34s 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 : 0.07s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 348 calls) cegterg : 107.37s CPU 108.75s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 64.13s CPU 65.40s WALL ( 5978 calls) s_psi : 4.35s CPU 4.31s WALL ( 5978 calls) g_psi : 0.20s CPU 0.19s WALL ( 5271 calls) cdiaghg : 34.78s CPU 35.32s WALL ( 5619 calls) cegterg:over : 4.64s CPU 4.63s WALL ( 5271 calls) cegterg:upda : 3.31s CPU 3.32s WALL ( 5271 calls) cegterg:last : 2.36s CPU 2.33s WALL ( 1055 calls) cdiaghg:chol : 1.92s CPU 1.98s WALL ( 5619 calls) cdiaghg:inve : 1.22s CPU 1.26s WALL ( 5619 calls) cdiaghg:para : 2.20s CPU 2.12s WALL ( 11238 calls) Called by h_psi: h_psi:vloc : 54.59s CPU 55.56s WALL ( 5978 calls) h_psi:vnl : 9.33s CPU 9.65s WALL ( 5978 calls) add_vuspsi : 4.87s CPU 5.01s WALL ( 5978 calls) General routines calbec : 4.44s CPU 4.62s WALL ( 5978 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.36s CPU 52.30s WALL ( 684384 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 696 calls) Parallel routines fft_scatter : 18.99s CPU 19.16s WALL ( 684407 calls) PWSCF : 2m14.31s CPU 2m26.50s WALL This run was terminated on: 20: 2:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=