Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13: 0 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: ./VSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D 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 80 23 7 4468 715 115 Max 81 24 8 4475 734 120 Sum 2905 859 253 160991 26091 4189 bravais-lattice index = 14 lattice parameter (alat) = 8.0691 a.u. unit-cell volume = 580.4172 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.069130 celldm(2)= 1.000000 celldm(3)= 1.275644 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 1.275644 ) 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 0.783918 ) 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 V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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) V 13.00 50.94150 V( 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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 ) ( 0.6378220 ) 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0135158), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0270316), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0405475), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0540633), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0675791), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.0810949), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.0946108), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1081266), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1216424), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1351582), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1486741), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.1621899), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.1757057), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.1892215), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2027374), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2162532), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2297690), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.2432848), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.2568006), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.2703165), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.2838323), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.2973481), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3108639), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.3243798), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.3378956), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.3514114), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.3649272), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.3784431), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.3919589), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.3919589), wk = 0.0030120 k( 153) = ( 0.0116279 0.0067134 0.3919589), wk = 0.0030120 k( 154) = ( 0.0232558 0.0134267 0.3919589), wk = 0.0030120 k( 155) = ( 0.0348837 0.0201401 0.3919589), wk = 0.0030120 k( 156) = ( 0.0465116 0.0268535 0.3919589), wk = 0.0030120 k( 157) = ( 0.0581395 0.0335669 0.3919589), wk = 0.0030120 k( 158) = ( 0.0697674 0.0402803 0.3919589), wk = 0.0030120 k( 159) = ( 0.0813954 0.0469936 0.3919589), wk = 0.0030120 k( 160) = ( 0.0930233 0.0537070 0.3919589), wk = 0.0030120 k( 161) = ( 0.1046512 0.0604204 0.3919589), wk = 0.0030120 k( 162) = ( 0.1162791 0.0671338 0.3919589), wk = 0.0030120 k( 163) = ( 0.1279070 0.0738471 0.3919589), wk = 0.0030120 k( 164) = ( 0.1395349 0.0805605 0.3919589), wk = 0.0030120 k( 165) = ( 0.1511628 0.0872739 0.3919589), wk = 0.0030120 k( 166) = ( 0.1627907 0.0939873 0.3919589), wk = 0.0030120 k( 167) = ( 0.1744186 0.1007006 0.3919589), wk = 0.0030120 k( 168) = ( 0.1860465 0.1074140 0.3919589), wk = 0.0030120 k( 169) = ( 0.1976744 0.1141274 0.3919589), wk = 0.0030120 k( 170) = ( 0.2093023 0.1208408 0.3919589), wk = 0.0030120 k( 171) = ( 0.2209302 0.1275541 0.3919589), wk = 0.0030120 k( 172) = ( 0.2325581 0.1342675 0.3919589), wk = 0.0030120 k( 173) = ( 0.2441860 0.1409809 0.3919589), wk = 0.0030120 k( 174) = ( 0.2558140 0.1476943 0.3919589), wk = 0.0030120 k( 175) = ( 0.2674419 0.1544076 0.3919589), wk = 0.0030120 k( 176) = ( 0.2790698 0.1611210 0.3919589), wk = 0.0030120 k( 177) = ( 0.2906977 0.1678344 0.3919589), wk = 0.0030120 k( 178) = ( 0.3023256 0.1745478 0.3919589), wk = 0.0030120 k( 179) = ( 0.3139535 0.1812611 0.3919589), wk = 0.0030120 k( 180) = ( 0.3255814 0.1879745 0.3919589), wk = 0.0030120 k( 181) = ( 0.3372093 0.1946879 0.3919589), wk = 0.0030120 k( 182) = ( 0.3488372 0.2014013 0.3919589), wk = 0.0030120 k( 183) = ( 0.3604651 0.2081146 0.3919589), wk = 0.0030120 k( 184) = ( 0.3720930 0.2148280 0.3919589), wk = 0.0030120 k( 185) = ( 0.3837209 0.2215414 0.3919589), wk = 0.0030120 k( 186) = ( 0.3953488 0.2282548 0.3919589), wk = 0.0030120 k( 187) = ( 0.4069767 0.2349681 0.3919589), wk = 0.0030120 k( 188) = ( 0.4186047 0.2416815 0.3919589), wk = 0.0030120 k( 189) = ( 0.4302326 0.2483949 0.3919589), wk = 0.0030120 k( 190) = ( 0.4418605 0.2551083 0.3919589), wk = 0.0030120 k( 191) = ( 0.4534884 0.2618216 0.3919589), wk = 0.0030120 k( 192) = ( 0.4651163 0.2685350 0.3919589), wk = 0.0030120 k( 193) = ( 0.4767442 0.2752484 0.3919589), wk = 0.0030120 k( 194) = ( 0.4883721 0.2819618 0.3919589), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.3919589), wk = 0.0030120 k( 196) = ( 0.5000000 0.2886751 0.3919589), wk = 0.0030120 k( 197) = ( 0.4933333 0.3002221 0.3919589), wk = 0.0030120 k( 198) = ( 0.4866667 0.3117692 0.3919589), wk = 0.0030120 k( 199) = ( 0.4800000 0.3233162 0.3919589), wk = 0.0030120 k( 200) = ( 0.4733333 0.3348632 0.3919589), wk = 0.0030120 k( 201) = ( 0.4666667 0.3464102 0.3919589), wk = 0.0030120 k( 202) = ( 0.4600000 0.3579572 0.3919589), wk = 0.0030120 k( 203) = ( 0.4533333 0.3695042 0.3919589), wk = 0.0030120 k( 204) = ( 0.4466667 0.3810512 0.3919589), wk = 0.0030120 k( 205) = ( 0.4400000 0.3925982 0.3919589), wk = 0.0030120 k( 206) = ( 0.4333333 0.4041452 0.3919589), wk = 0.0030120 k( 207) = ( 0.4266667 0.4156922 0.3919589), wk = 0.0030120 k( 208) = ( 0.4200000 0.4272392 0.3919589), wk = 0.0030120 k( 209) = ( 0.4133333 0.4387862 0.3919589), wk = 0.0030120 k( 210) = ( 0.4066667 0.4503332 0.3919589), wk = 0.0030120 k( 211) = ( 0.4000000 0.4618802 0.3919589), wk = 0.0030120 k( 212) = ( 0.3933333 0.4734272 0.3919589), wk = 0.0030120 k( 213) = ( 0.3866667 0.4849742 0.3919589), wk = 0.0030120 k( 214) = ( 0.3800000 0.4965212 0.3919589), wk = 0.0030120 k( 215) = ( 0.3733333 0.5080682 0.3919589), wk = 0.0030120 k( 216) = ( 0.3666667 0.5196152 0.3919589), wk = 0.0030120 k( 217) = ( 0.3600000 0.5311622 0.3919589), wk = 0.0030120 k( 218) = ( 0.3533333 0.5427092 0.3919589), wk = 0.0030120 k( 219) = ( 0.3466667 0.5542563 0.3919589), wk = 0.0030120 k( 220) = ( 0.3400000 0.5658033 0.3919589), wk = 0.0030120 k( 221) = ( 0.3333333 0.5773503 0.3919589), wk = 0.0030120 k( 222) = ( 0.3333333 0.5773503 0.3919589), wk = 0.0030120 k( 223) = ( 0.3266667 0.5658033 0.3919589), wk = 0.0030120 k( 224) = ( 0.3200000 0.5542563 0.3919589), wk = 0.0030120 k( 225) = ( 0.3133333 0.5427092 0.3919589), wk = 0.0030120 k( 226) = ( 0.3066667 0.5311623 0.3919589), wk = 0.0030120 k( 227) = ( 0.3000000 0.5196152 0.3919589), wk = 0.0030120 k( 228) = ( 0.2933333 0.5080682 0.3919589), wk = 0.0030120 k( 229) = ( 0.2866667 0.4965212 0.3919589), wk = 0.0030120 k( 230) = ( 0.2800000 0.4849742 0.3919589), wk = 0.0030120 k( 231) = ( 0.2733333 0.4734272 0.3919589), wk = 0.0030120 k( 232) = ( 0.2666667 0.4618802 0.3919589), wk = 0.0030120 k( 233) = ( 0.2600000 0.4503332 0.3919589), wk = 0.0030120 k( 234) = ( 0.2533333 0.4387862 0.3919589), wk = 0.0030120 k( 235) = ( 0.2466667 0.4272392 0.3919589), wk = 0.0030120 k( 236) = ( 0.2400000 0.4156922 0.3919589), wk = 0.0030120 k( 237) = ( 0.2333333 0.4041452 0.3919589), wk = 0.0030120 k( 238) = ( 0.2266667 0.3925982 0.3919589), wk = 0.0030120 k( 239) = ( 0.2200000 0.3810512 0.3919589), wk = 0.0030120 k( 240) = ( 0.2133333 0.3695042 0.3919589), wk = 0.0030120 k( 241) = ( 0.2066667 0.3579572 0.3919589), wk = 0.0030120 k( 242) = ( 0.2000000 0.3464102 0.3919589), wk = 0.0030120 k( 243) = ( 0.1933333 0.3348632 0.3919589), wk = 0.0030120 k( 244) = ( 0.1866667 0.3233162 0.3919589), wk = 0.0030120 k( 245) = ( 0.1800000 0.3117691 0.3919589), wk = 0.0030120 k( 246) = ( 0.1733333 0.3002221 0.3919589), wk = 0.0030120 k( 247) = ( 0.1666667 0.2886751 0.3919589), wk = 0.0030120 k( 248) = ( 0.1600000 0.2771281 0.3919589), wk = 0.0030120 k( 249) = ( 0.1533333 0.2655811 0.3919589), wk = 0.0030120 k( 250) = ( 0.1466667 0.2540341 0.3919589), wk = 0.0030120 k( 251) = ( 0.1400000 0.2424871 0.3919589), wk = 0.0030120 k( 252) = ( 0.1333333 0.2309401 0.3919589), wk = 0.0030120 k( 253) = ( 0.1266667 0.2193931 0.3919589), wk = 0.0030120 k( 254) = ( 0.1200000 0.2078461 0.3919589), wk = 0.0030120 k( 255) = ( 0.1133333 0.1962991 0.3919589), wk = 0.0030120 k( 256) = ( 0.1066667 0.1847521 0.3919589), wk = 0.0030120 k( 257) = ( 0.1000000 0.1732051 0.3919589), wk = 0.0030120 k( 258) = ( 0.0933333 0.1616581 0.3919589), wk = 0.0030120 k( 259) = ( 0.0866667 0.1501111 0.3919589), wk = 0.0030120 k( 260) = ( 0.0800000 0.1385641 0.3919589), wk = 0.0030120 k( 261) = ( 0.0733333 0.1270171 0.3919589), wk = 0.0030120 k( 262) = ( 0.0666667 0.1154701 0.3919589), wk = 0.0030120 k( 263) = ( 0.0600000 0.1039230 0.3919589), wk = 0.0030120 k( 264) = ( 0.0533333 0.0923760 0.3919589), wk = 0.0030120 k( 265) = ( 0.0466667 0.0808290 0.3919589), wk = 0.0030120 k( 266) = ( 0.0400000 0.0692820 0.3919589), wk = 0.0030120 k( 267) = ( 0.0333333 0.0577350 0.3919589), wk = 0.0030120 k( 268) = ( 0.0266667 0.0461880 0.3919589), wk = 0.0030120 k( 269) = ( 0.0200000 0.0346410 0.3919589), wk = 0.0030120 k( 270) = ( 0.0133333 0.0230940 0.3919589), wk = 0.0030120 k( 271) = ( 0.0066667 0.0115470 0.3919589), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.3919589), wk = 0.0030120 k( 273) = ( 0.5000000 0.2886751 0.3919589), wk = 0.0030120 k( 274) = ( 0.5000000 0.2886751 0.3784431), wk = 0.0030120 k( 275) = ( 0.5000000 0.2886751 0.3649272), wk = 0.0030120 k( 276) = ( 0.5000000 0.2886751 0.3514114), wk = 0.0030120 k( 277) = ( 0.5000000 0.2886751 0.3378956), wk = 0.0030120 k( 278) = ( 0.5000000 0.2886751 0.3243798), wk = 0.0030120 k( 279) = ( 0.5000000 0.2886751 0.3108639), wk = 0.0030120 k( 280) = ( 0.5000000 0.2886751 0.2973481), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2838323), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2703165), wk = 0.0030120 k( 283) = ( 0.5000000 0.2886751 0.2568006), wk = 0.0030120 k( 284) = ( 0.5000000 0.2886751 0.2432848), wk = 0.0030120 k( 285) = ( 0.5000000 0.2886751 0.2297690), wk = 0.0030120 k( 286) = ( 0.5000000 0.2886751 0.2162532), wk = 0.0030120 k( 287) = ( 0.5000000 0.2886751 0.2027374), wk = 0.0030120 k( 288) = ( 0.5000000 0.2886751 0.1892215), wk = 0.0030120 k( 289) = ( 0.5000000 0.2886751 0.1757057), wk = 0.0030120 k( 290) = ( 0.5000000 0.2886751 0.1621899), wk = 0.0030120 k( 291) = ( 0.5000000 0.2886751 0.1486741), wk = 0.0030120 k( 292) = ( 0.5000000 0.2886751 0.1351582), wk = 0.0030120 k( 293) = ( 0.5000000 0.2886751 0.1216424), wk = 0.0030120 k( 294) = ( 0.5000000 0.2886751 0.1081266), wk = 0.0030120 k( 295) = ( 0.5000000 0.2886751 0.0946108), wk = 0.0030120 k( 296) = ( 0.5000000 0.2886751 0.0810949), wk = 0.0030120 k( 297) = ( 0.5000000 0.2886751 0.0675791), wk = 0.0030120 k( 298) = ( 0.5000000 0.2886751 0.0540633), wk = 0.0030120 k( 299) = ( 0.5000000 0.2886751 0.0405475), wk = 0.0030120 k( 300) = ( 0.5000000 0.2886751 0.0270316), wk = 0.0030120 k( 301) = ( 0.5000000 0.2886751 0.0135158), wk = 0.0030120 k( 302) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.5773503 0.0135158), wk = 0.0030120 k( 305) = ( 0.3333333 0.5773503 0.0270316), wk = 0.0030120 k( 306) = ( 0.3333333 0.5773503 0.0405475), wk = 0.0030120 k( 307) = ( 0.3333333 0.5773503 0.0540633), wk = 0.0030120 k( 308) = ( 0.3333333 0.5773503 0.0675791), wk = 0.0030120 k( 309) = ( 0.3333333 0.5773503 0.0810949), wk = 0.0030120 k( 310) = ( 0.3333333 0.5773503 0.0946108), wk = 0.0030120 k( 311) = ( 0.3333333 0.5773503 0.1081266), wk = 0.0030120 k( 312) = ( 0.3333333 0.5773503 0.1216424), wk = 0.0030120 k( 313) = ( 0.3333333 0.5773503 0.1351582), wk = 0.0030120 k( 314) = ( 0.3333333 0.5773503 0.1486741), wk = 0.0030120 k( 315) = ( 0.3333333 0.5773503 0.1621899), wk = 0.0030120 k( 316) = ( 0.3333333 0.5773503 0.1757057), wk = 0.0030120 k( 317) = ( 0.3333333 0.5773503 0.1892215), wk = 0.0030120 k( 318) = ( 0.3333333 0.5773503 0.2027374), wk = 0.0030120 k( 319) = ( 0.3333333 0.5773503 0.2162532), wk = 0.0030120 k( 320) = ( 0.3333333 0.5773503 0.2297690), wk = 0.0030120 k( 321) = ( 0.3333333 0.5773503 0.2432848), wk = 0.0030120 k( 322) = ( 0.3333333 0.5773503 0.2568006), wk = 0.0030120 k( 323) = ( 0.3333333 0.5773503 0.2703165), wk = 0.0030120 k( 324) = ( 0.3333333 0.5773503 0.2838323), wk = 0.0030120 k( 325) = ( 0.3333333 0.5773503 0.2973481), wk = 0.0030120 k( 326) = ( 0.3333333 0.5773503 0.3108639), wk = 0.0030120 k( 327) = ( 0.3333333 0.5773503 0.3243798), wk = 0.0030120 k( 328) = ( 0.3333333 0.5773503 0.3378956), wk = 0.0030120 k( 329) = ( 0.3333333 0.5773503 0.3514114), wk = 0.0030120 k( 330) = ( 0.3333333 0.5773503 0.3649272), wk = 0.0030120 k( 331) = ( 0.3333333 0.5773503 0.3784431), wk = 0.0030120 k( 332) = ( 0.3333333 0.5773503 0.3919589), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 153) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0030120 k( 154) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0030120 k( 155) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0030120 k( 156) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0030120 k( 157) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0030120 k( 158) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0030120 k( 159) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0030120 k( 160) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0030120 k( 161) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0030120 k( 162) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0030120 k( 163) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0030120 k( 164) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0030120 k( 165) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0030120 k( 166) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0030120 k( 167) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0030120 k( 168) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0030120 k( 169) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0030120 k( 170) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0030120 k( 171) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0030120 k( 172) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0030120 k( 173) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0030120 k( 174) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0030120 k( 175) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0030120 k( 176) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0030120 k( 177) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0030120 k( 178) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0030120 k( 179) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0030120 k( 180) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0030120 k( 181) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0030120 k( 182) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0030120 k( 183) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0030120 k( 184) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0030120 k( 185) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0030120 k( 186) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0030120 k( 187) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0030120 k( 188) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0030120 k( 189) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0030120 k( 190) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0030120 k( 191) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0030120 k( 192) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0030120 k( 193) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0030120 k( 194) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 197) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0030120 k( 198) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0030120 k( 199) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0030120 k( 200) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0030120 k( 201) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0030120 k( 202) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0030120 k( 203) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0030120 k( 204) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0030120 k( 205) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0030120 k( 206) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0030120 k( 207) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0030120 k( 208) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0030120 k( 209) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0030120 k( 210) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0030120 k( 211) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0030120 k( 212) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0030120 k( 213) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0030120 k( 214) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0030120 k( 215) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0030120 k( 216) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0030120 k( 217) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0030120 k( 218) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0030120 k( 219) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0030120 k( 220) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0030120 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 223) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0030120 k( 224) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0030120 k( 225) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0030120 k( 226) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0030120 k( 227) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0030120 k( 229) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0030120 k( 230) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0030120 k( 231) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0030120 k( 232) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0030120 k( 233) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0030120 k( 234) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0030120 k( 235) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0030120 k( 236) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0030120 k( 237) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0030120 k( 238) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0030120 k( 239) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0030120 k( 240) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0030120 k( 241) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0030120 k( 242) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030120 k( 243) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0030120 k( 244) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0030120 k( 245) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0030120 k( 246) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0030120 k( 247) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030120 k( 248) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0030120 k( 249) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0030120 k( 250) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0030120 k( 251) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0030120 k( 252) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0030120 k( 253) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0030120 k( 254) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0030120 k( 255) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0030120 k( 256) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0030120 k( 257) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030120 k( 258) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0030120 k( 259) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0030120 k( 260) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0030120 k( 261) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0030120 k( 262) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0030120 k( 263) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0030120 k( 264) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0030120 k( 265) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0030120 k( 266) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0030120 k( 267) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0030120 k( 268) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0030120 k( 269) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0030120 k( 270) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0030120 k( 271) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030120 k( 274) = ( 0.5000000 0.0000000 0.4827586), wk = 0.0030120 k( 275) = ( 0.5000000 0.0000000 0.4655172), wk = 0.0030120 k( 276) = ( 0.5000000 0.0000000 0.4482759), wk = 0.0030120 k( 277) = ( 0.5000000 0.0000000 0.4310345), wk = 0.0030120 k( 278) = ( 0.5000000 0.0000000 0.4137931), wk = 0.0030120 k( 279) = ( 0.5000000 0.0000000 0.3965517), wk = 0.0030120 k( 280) = ( 0.5000000 0.0000000 0.3793103), wk = 0.0030120 k( 281) = ( 0.5000000 0.0000000 0.3620690), wk = 0.0030120 k( 282) = ( 0.5000000 0.0000000 0.3448276), wk = 0.0030120 k( 283) = ( 0.5000000 0.0000000 0.3275862), wk = 0.0030120 k( 284) = ( 0.5000000 0.0000000 0.3103448), wk = 0.0030120 k( 285) = ( 0.5000000 0.0000000 0.2931034), wk = 0.0030120 k( 286) = ( 0.5000000 0.0000000 0.2758621), wk = 0.0030120 k( 287) = ( 0.5000000 0.0000000 0.2586207), wk = 0.0030120 k( 288) = ( 0.5000000 0.0000000 0.2413793), wk = 0.0030120 k( 289) = ( 0.5000000 0.0000000 0.2241379), wk = 0.0030120 k( 290) = ( 0.5000000 0.0000000 0.2068966), wk = 0.0030120 k( 291) = ( 0.5000000 0.0000000 0.1896552), wk = 0.0030120 k( 292) = ( 0.5000000 0.0000000 0.1724138), wk = 0.0030120 k( 293) = ( 0.5000000 0.0000000 0.1551724), wk = 0.0030120 k( 294) = ( 0.5000000 0.0000000 0.1379310), wk = 0.0030120 k( 295) = ( 0.5000000 0.0000000 0.1206897), wk = 0.0030120 k( 296) = ( 0.5000000 0.0000000 0.1034483), wk = 0.0030120 k( 297) = ( 0.5000000 0.0000000 0.0862069), wk = 0.0030120 k( 298) = ( 0.5000000 0.0000000 0.0689655), wk = 0.0030120 k( 299) = ( 0.5000000 0.0000000 0.0517241), wk = 0.0030120 k( 300) = ( 0.5000000 0.0000000 0.0344828), wk = 0.0030120 k( 301) = ( 0.5000000 0.0000000 0.0172414), wk = 0.0030120 k( 302) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0030120 k( 305) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0030120 k( 306) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0030120 k( 307) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0030120 k( 308) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0030120 k( 309) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0030120 k( 310) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0030120 k( 311) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0030120 k( 312) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0030120 k( 313) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0030120 k( 314) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0030120 k( 315) = ( 0.3333333 0.3333333 0.2068966), wk = 0.0030120 k( 316) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0030120 k( 317) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0030120 k( 318) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0030120 k( 319) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0030120 k( 320) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0030120 k( 321) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0030120 k( 322) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0030120 k( 323) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0030120 k( 324) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0030120 k( 325) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0030120 k( 326) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0030120 k( 327) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0030120 k( 328) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0030120 k( 329) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0030120 k( 330) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0030120 k( 331) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0030120 k( 332) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 Dense grid: 160991 G-vectors FFT dimensions: ( 72, 72, 90) Smooth grid: 26091 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 184, 44) NL pseudopotentials 0.19 Mb ( 92, 136) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 4470) G-vector shells 0.02 Mb ( 2016) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 184, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./VSb.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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.1 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 5.0 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 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.3 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 7.0 secs Computing kpt #: 15 total cpu time spent up to now is 7.3 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.2 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.8 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.9 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt #: 27 total cpu time spent up to now is 11.5 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.8 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 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 16.2 secs Computing kpt #: 38 total cpu time spent up to now is 16.6 secs Computing kpt #: 39 total cpu time spent up to now is 17.1 secs Computing kpt #: 40 total cpu time spent up to now is 17.5 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.5 secs Computing kpt #: 43 total cpu time spent up to now is 18.9 secs Computing kpt #: 44 total cpu time spent up to now is 19.5 secs Computing kpt #: 45 total cpu time spent up to now is 19.9 secs Computing kpt #: 46 total cpu time spent up to now is 20.5 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.4 secs Computing kpt #: 49 total cpu time spent up to now is 21.8 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.6 secs Computing kpt #: 52 total cpu time spent up to now is 23.1 secs Computing kpt #: 53 total cpu time spent up to now is 23.5 secs Computing kpt #: 54 total cpu time spent up to now is 23.9 secs Computing kpt #: 55 total cpu time spent up to now is 24.4 secs Computing kpt #: 56 total cpu time spent up to now is 24.8 secs Computing kpt #: 57 total cpu time spent up to now is 25.3 secs Computing kpt #: 58 total cpu time spent up to now is 25.7 secs Computing kpt #: 59 total cpu time spent up to now is 26.1 secs Computing kpt #: 60 total cpu time spent up to now is 26.6 secs Computing kpt #: 61 total cpu time spent up to now is 27.1 secs Computing kpt #: 62 total cpu time spent up to now is 27.6 secs Computing kpt #: 63 total cpu time spent up to now is 28.0 secs Computing kpt #: 64 total cpu time spent up to now is 28.4 secs Computing kpt #: 65 total cpu time spent up to now is 28.9 secs Computing kpt #: 66 total cpu time spent up to now is 29.4 secs Computing kpt #: 67 total cpu time spent up to now is 29.8 secs Computing kpt #: 68 total cpu time spent up to now is 30.3 secs Computing kpt #: 69 total cpu time spent up to now is 30.7 secs Computing kpt #: 70 total cpu time spent up to now is 31.2 secs Computing kpt #: 71 total cpu time spent up to now is 31.7 secs Computing kpt #: 72 total cpu time spent up to now is 32.1 secs Computing kpt #: 73 total cpu time spent up to now is 32.6 secs Computing kpt #: 74 total cpu time spent up to now is 33.1 secs Computing kpt #: 75 total cpu time spent up to now is 33.5 secs Computing kpt #: 76 total cpu time spent up to now is 34.0 secs Computing kpt #: 77 total cpu time spent up to now is 34.4 secs Computing kpt #: 78 total cpu time spent up to now is 34.9 secs Computing kpt #: 79 total cpu time spent up to now is 35.7 secs Computing kpt #: 80 total cpu time spent up to now is 36.1 secs Computing kpt #: 81 total cpu time spent up to now is 36.6 secs Computing kpt #: 82 total cpu time spent up to now is 37.2 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.4 secs Computing kpt #: 85 total cpu time spent up to now is 39.0 secs Computing kpt #: 86 total cpu time spent up to now is 39.6 secs Computing kpt #: 87 total cpu time spent up to now is 40.2 secs Computing kpt #: 88 total cpu time spent up to now is 40.7 secs Computing kpt #: 89 total cpu time spent up to now is 41.2 secs Computing kpt #: 90 total cpu 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Computing kpt #: 106 total cpu time spent up to now is 47.0 secs Computing kpt #: 107 total cpu time spent up to now is 47.3 secs Computing kpt #: 108 total cpu time spent up to now is 47.6 secs Computing kpt #: 109 total cpu time spent up to now is 47.9 secs Computing kpt #: 110 total cpu time spent up to now is 48.2 secs Computing kpt #: 111 total cpu time spent up to now is 48.8 secs Computing kpt #: 112 total cpu time spent up to now is 49.1 secs Computing kpt #: 113 total cpu time spent up to now is 49.4 secs Computing kpt #: 114 total cpu time spent up to now is 49.7 secs Computing kpt #: 115 total cpu time spent up to now is 50.0 secs Computing kpt #: 116 total cpu time spent up to now is 50.4 secs Computing kpt #: 117 total cpu time spent up to now is 50.7 secs Computing kpt #: 118 total cpu time spent up to now is 51.0 secs Computing kpt #: 119 total cpu time spent up to now is 51.3 secs Computing kpt #: 120 total cpu time spent up to now is 51.6 secs Computing kpt #: 121 total cpu time spent up to now is 51.9 secs Computing kpt #: 122 total cpu time spent up to now is 52.2 secs Computing kpt #: 123 total cpu time spent up to now is 52.5 secs Computing kpt #: 124 total cpu time spent up to now is 52.8 secs Computing kpt #: 125 total cpu time spent up to now is 53.2 secs Computing kpt #: 126 total cpu time spent up to now is 53.5 secs Computing kpt #: 127 total cpu time spent up to now is 53.8 secs Computing kpt #: 128 total cpu time spent up to now is 54.1 secs Computing kpt #: 129 total cpu time spent up to now is 54.4 secs Computing kpt #: 130 total cpu time spent up to now is 54.8 secs Computing kpt #: 131 total cpu time spent up to now is 55.1 secs Computing kpt #: 132 total cpu time spent up to now is 55.5 secs Computing kpt #: 133 total cpu time spent up to now is 56.0 secs Computing kpt #: 134 total cpu time spent up to now is 57.0 secs Computing kpt #: 135 total cpu time spent up to now is 57.6 secs Computing kpt #: 136 total cpu time spent up to now is 58.0 secs Computing kpt #: 137 total cpu time spent up to now is 58.5 secs Computing kpt #: 138 total cpu time spent up to now is 58.9 secs Computing kpt #: 139 total cpu time spent up to now is 59.2 secs Computing kpt #: 140 total cpu time spent up to now is 59.6 secs Computing kpt #: 141 total cpu time spent up to now is 60.0 secs Computing kpt #: 142 total cpu time spent up to now is 60.3 secs Computing kpt #: 143 total cpu time spent up to now is 60.6 secs Computing kpt #: 144 total cpu time spent up to now is 61.0 secs Computing kpt #: 145 total cpu time spent up to now is 61.3 secs Computing kpt #: 146 total cpu time spent up to now is 61.6 secs Computing kpt #: 147 total cpu time spent up to now is 61.9 secs Computing kpt #: 148 total cpu time spent up to now is 62.2 secs Computing kpt #: 149 total cpu time spent up to now is 62.6 secs Computing kpt #: 150 total cpu time spent up to now is 62.9 secs Computing kpt #: 151 total cpu time spent up to now is 63.2 secs Computing kpt #: 152 total cpu time spent up to now is 63.5 secs Computing kpt #: 153 total cpu time spent up to now is 63.8 secs Computing kpt #: 154 total cpu time spent up to now is 64.1 secs Computing kpt #: 155 total cpu time spent up to now is 64.5 secs Computing kpt #: 156 total cpu time spent up to now is 64.8 secs Computing kpt #: 157 total cpu time spent up to now is 65.1 secs Computing kpt #: 158 total cpu time spent up to now is 65.5 secs Computing kpt #: 159 total cpu time spent up to now is 65.8 secs Computing kpt #: 160 total cpu time spent up to now is 66.2 secs Computing kpt #: 161 total cpu time spent up to now is 66.5 secs Computing kpt #: 162 total cpu time spent up to now is 66.9 secs Computing kpt #: 163 total cpu time spent up to now is 67.3 secs Computing kpt #: 164 total cpu time spent up to now is 67.7 secs Computing kpt #: 165 total cpu time spent up to now is 68.1 secs Computing kpt #: 166 total cpu time spent up to now is 68.5 secs Computing kpt #: 167 total cpu time spent up to now is 68.9 secs Computing kpt #: 168 total cpu time spent up to now is 69.3 secs Computing kpt #: 169 total cpu time spent up to now is 69.7 secs Computing kpt #: 170 total cpu time spent up to now is 70.2 secs Computing kpt #: 171 total cpu time spent up to now is 70.9 secs Computing kpt #: 172 total cpu time spent up to now is 71.3 secs Computing kpt #: 173 total cpu time spent up to now is 71.8 secs Computing kpt #: 174 total cpu time spent up to now is 72.2 secs Computing kpt #: 175 total cpu time spent up to now is 72.6 secs Computing kpt #: 176 total cpu time spent up to now is 73.0 secs Computing kpt #: 177 total cpu time spent up to now is 73.4 secs Computing kpt #: 178 total cpu time spent up to now is 73.7 secs Computing kpt #: 179 total cpu time spent up to now is 74.1 secs Computing kpt #: 180 total cpu time spent up to now is 74.5 secs Computing kpt #: 181 total cpu time spent up to now is 74.8 secs Computing kpt #: 182 total cpu time spent up to now is 75.2 secs Computing kpt #: 183 total cpu time spent up to now is 75.6 secs Computing kpt #: 184 total cpu time spent up to now is 75.9 secs Computing kpt #: 185 total cpu time spent up to now is 76.3 secs Computing kpt #: 186 total cpu time spent up to now is 76.7 secs Computing kpt #: 187 total cpu time spent up to now is 77.0 secs Computing kpt #: 188 total cpu time spent up to now is 77.4 secs Computing kpt #: 189 total cpu time spent up to now is 77.8 secs Computing kpt #: 190 total cpu time spent up to now is 78.1 secs Computing kpt #: 191 total cpu time spent up to now is 78.5 secs Computing kpt #: 192 total cpu time spent up to now is 78.9 secs Computing kpt #: 193 total cpu time spent up to now is 79.2 secs Computing kpt #: 194 total cpu time spent up to now is 79.6 secs Computing kpt #: 195 total cpu time spent up to now is 80.0 secs Computing kpt #: 196 total cpu time spent up to now is 80.3 secs Computing kpt #: 197 total cpu time spent up to now is 80.7 secs Computing kpt #: 198 total cpu time spent up to now is 81.1 secs Computing kpt #: 199 total cpu time spent up to now is 81.5 secs Computing kpt #: 200 total cpu time spent up to now is 81.8 secs Computing kpt #: 201 total cpu time spent up to now is 82.2 secs Computing kpt #: 202 total cpu time spent up to now is 82.6 secs Computing kpt #: 203 total cpu time spent up to now is 83.0 secs Computing kpt #: 204 total cpu time spent up to now is 83.4 secs Computing kpt #: 205 total cpu time spent up to now is 83.8 secs Computing kpt #: 206 total cpu time spent up to now is 84.2 secs Computing kpt #: 207 total cpu time spent up to now is 84.7 secs Computing kpt #: 208 total cpu time spent up to now is 85.1 secs Computing kpt #: 209 total cpu time spent up to now is 85.5 secs Computing kpt #: 210 total cpu time spent up to now is 85.9 secs Computing kpt #: 211 total cpu time spent up to now is 86.4 secs Computing kpt #: 212 total cpu time spent up to now is 86.8 secs Computing kpt #: 213 total cpu time spent up to now is 87.2 secs Computing kpt #: 214 total cpu time spent up to now is 87.7 secs Computing kpt #: 215 total cpu time spent up to now is 88.1 secs Computing kpt #: 216 total cpu time spent up to now is 88.6 secs Computing kpt #: 217 total cpu time spent up to now is 89.0 secs Computing kpt #: 218 total cpu time spent up to now is 89.5 secs Computing kpt #: 219 total cpu time spent up to now is 90.1 secs Computing kpt #: 220 total cpu time spent up to now is 90.6 secs Computing kpt #: 221 total cpu time spent up to now is 91.3 secs Computing kpt #: 222 total cpu time spent up to now is 91.9 secs Computing kpt #: 223 total cpu time spent up to now is 92.4 secs Computing kpt #: 224 total cpu time spent up to now is 93.0 secs Computing kpt #: 225 total cpu time spent up to now is 93.5 secs Computing kpt #: 226 total cpu time spent up to now is 94.0 secs Computing kpt #: 227 total cpu time spent up to now is 94.4 secs Computing kpt #: 228 total cpu time spent up to now is 94.9 secs Computing kpt #: 229 total cpu time spent up to now is 95.3 secs Computing kpt #: 230 total cpu time spent up to now is 95.8 secs Computing kpt #: 231 total cpu time spent up to now is 96.2 secs Computing kpt #: 232 total cpu time spent up to now is 96.7 secs Computing kpt #: 233 total cpu time spent up to now is 97.1 secs Computing kpt #: 234 total cpu time spent up to now is 97.5 secs Computing kpt #: 235 total cpu time spent up to now is 97.9 secs Computing kpt #: 236 total cpu time spent up to now is 98.4 secs Computing kpt #: 237 total cpu time spent up to now is 98.8 secs Computing kpt #: 238 total cpu time spent up to now is 99.2 secs Computing kpt #: 239 total cpu time spent up to now is 99.7 secs Computing kpt #: 240 total cpu time spent up to now is 100.1 secs Computing kpt #: 241 total cpu time spent up to now is 100.5 secs Computing kpt #: 242 total cpu time spent up to now is 100.9 secs Computing kpt #: 243 total cpu time spent up to now is 101.4 secs Computing kpt #: 244 total cpu time spent up to now is 101.8 secs Computing kpt #: 245 total cpu time spent up to now is 102.2 secs Computing kpt #: 246 total cpu time spent up to now is 102.7 secs Computing kpt #: 247 total cpu time spent up to now is 103.1 secs Computing kpt #: 248 total cpu time spent up to now is 103.5 secs Computing kpt #: 249 total cpu time spent up to now is 104.0 secs Computing kpt #: 250 total cpu time spent up to now is 104.5 secs Computing kpt #: 251 total cpu time spent up to now is 104.9 secs Computing kpt #: 252 total cpu time spent up to now is 105.4 secs Computing kpt #: 253 total cpu time spent up to now is 105.8 secs Computing kpt #: 254 total cpu time spent up to now is 106.2 secs Computing kpt #: 255 total cpu time spent up to now is 106.7 secs Computing kpt #: 256 total cpu time spent up to now is 107.1 secs Computing kpt #: 257 total cpu time spent up to now is 107.6 secs Computing kpt #: 258 total cpu time spent up to now is 107.9 secs Computing kpt #: 259 total cpu time spent up to now is 108.3 secs Computing kpt #: 260 total cpu time spent up to now is 108.7 secs Computing kpt #: 261 total cpu time spent up to now is 109.1 secs Computing kpt #: 262 total cpu time spent up to now is 109.4 secs Computing kpt #: 263 total cpu time spent up to now is 109.8 secs Computing kpt #: 264 total cpu time spent up to now is 110.1 secs Computing kpt #: 265 total cpu time spent up to now is 110.5 secs Computing kpt #: 266 total cpu time spent up to now is 110.8 secs Computing kpt #: 267 total cpu time spent up to now is 111.2 secs Computing kpt #: 268 total cpu time spent up to now is 111.5 secs Computing kpt #: 269 total cpu time spent up to now is 111.8 secs Computing kpt #: 270 total cpu time spent up to now is 112.2 secs Computing kpt #: 271 total cpu time spent up to now is 112.5 secs Computing kpt #: 272 total cpu time spent up to now is 112.8 secs Computing kpt #: 273 total cpu time spent up to now is 113.2 secs Computing kpt #: 274 total cpu time spent up to now is 113.5 secs Computing kpt #: 275 total cpu time spent up to now is 113.9 secs Computing kpt #: 276 total cpu time spent up to now is 114.3 secs Computing kpt #: 277 total cpu time spent up to now is 114.6 secs Computing kpt #: 278 total cpu time spent up to now is 115.0 secs Computing kpt #: 279 total cpu time spent up to now is 115.4 secs Computing kpt #: 280 total cpu time spent up to now is 115.8 secs Computing kpt #: 281 total cpu time spent up to now is 116.1 secs Computing kpt #: 282 total cpu time spent up to now is 116.5 secs Computing kpt #: 283 total cpu time spent up to now is 116.9 secs Computing kpt #: 284 total cpu time spent up to now is 117.3 secs Computing kpt #: 285 total cpu time spent up to now is 117.7 secs Computing kpt #: 286 total cpu time spent up to now is 118.1 secs Computing kpt #: 287 total cpu time spent up to now is 118.5 secs Computing kpt #: 288 total cpu time spent up to now is 118.8 secs Computing kpt #: 289 total cpu time spent up to now is 119.2 secs Computing kpt #: 290 total cpu time spent up to now is 119.6 secs Computing kpt #: 291 total cpu time spent up to now is 120.0 secs Computing kpt #: 292 total cpu time spent up to now is 120.4 secs Computing kpt #: 293 total cpu time spent up to now is 120.8 secs Computing kpt #: 294 total cpu time spent up to now is 121.2 secs Computing kpt #: 295 total cpu time spent up to now is 121.6 secs Computing kpt #: 296 total cpu time spent up to now is 122.0 secs Computing kpt #: 297 total cpu time spent up to now is 122.4 secs Computing kpt #: 298 total cpu time spent up to now is 122.9 secs Computing kpt #: 299 total cpu time spent up to now is 123.3 secs Computing kpt #: 300 total cpu time spent up to now is 123.7 secs Computing kpt #: 301 total cpu time spent up to now is 124.2 secs Computing kpt #: 302 total cpu time spent up to now is 124.6 secs Computing kpt #: 303 total cpu time spent up to now is 125.1 secs Computing kpt #: 304 total cpu time spent up to now is 125.6 secs Computing kpt #: 305 total cpu time spent up to now is 126.0 secs Computing kpt #: 306 total cpu time spent up to now is 126.5 secs Computing kpt #: 307 total cpu time spent up to now is 127.1 secs Computing kpt #: 308 total cpu time spent up to now is 127.5 secs Computing kpt #: 309 total cpu time spent up to now is 128.1 secs Computing kpt #: 310 total cpu time spent up to now is 128.6 secs Computing kpt #: 311 total cpu time spent up to now is 129.1 secs Computing kpt #: 312 total cpu time spent up to now is 129.5 secs Computing kpt #: 313 total cpu time spent up to now is 130.0 secs Computing kpt #: 314 total cpu time spent up to now is 130.5 secs Computing kpt #: 315 total cpu time spent up to now is 131.0 secs Computing kpt #: 316 total cpu time spent up to now is 131.4 secs Computing kpt #: 317 total cpu time spent up to now is 131.9 secs Computing kpt #: 318 total cpu time spent up to now is 132.4 secs Computing kpt #: 319 total cpu time spent up to now is 132.8 secs Computing kpt #: 320 total cpu time spent up to now is 133.3 secs Computing kpt #: 321 total cpu time spent up to now is 133.8 secs Computing kpt #: 322 total cpu time spent up to now is 134.4 secs Computing kpt #: 323 total cpu time spent up to now is 134.9 secs Computing kpt #: 324 total cpu time spent up to now is 135.4 secs Computing kpt #: 325 total cpu time spent up to now is 135.9 secs Computing kpt #: 326 total cpu time spent up to now is 136.3 secs Computing kpt #: 327 total cpu time spent up to now is 136.8 secs Computing kpt #: 328 total cpu time spent up to now is 137.3 secs Computing kpt #: 329 total cpu time spent up to now is 137.9 secs Computing kpt #: 330 total cpu time spent up to now is 138.5 secs Computing kpt #: 331 total cpu time spent up to now is 139.2 secs Computing kpt #: 332 total cpu time spent up to now is 139.8 secs ethr = 2.78E-08, avg # of iterations = 22.1 total cpu time spent up to now is 139.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3233 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0123 -28.0123 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3666 -1.3666 1.9562 1.9562 5.1138 5.1138 6.7964 6.7964 7.0163 7.0163 8.3515 8.3515 9.0680 9.0680 9.0703 9.0703 9.8366 9.8366 9.8740 9.8740 10.1723 10.1723 10.7159 10.7159 11.3097 11.3097 11.3383 11.3383 k = 0.0116 0.0067-0.0000 ( 3245 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0123 -28.0123 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3653 -1.3653 1.9556 1.9556 5.1154 5.1154 6.7966 6.7966 7.0165 7.0165 8.3503 8.3503 9.0639 9.0639 9.0676 9.0676 9.8350 9.8350 9.8726 9.8726 10.1727 10.1727 10.7129 10.7129 11.3095 11.3095 11.3381 11.3381 k = 0.0233 0.0134-0.0000 ( 3261 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0124 -28.0124 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3612 -1.3612 1.9538 1.9538 5.1203 5.1203 6.7972 6.7972 7.0172 7.0172 8.3466 8.3466 9.0514 9.0514 9.0600 9.0600 9.8288 9.8288 9.8697 9.8697 10.1739 10.1739 10.7041 10.7041 11.3089 11.3089 11.3376 11.3376 k = 0.0349 0.0201-0.0000 ( 3265 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0124 -28.0124 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3545 -1.3545 1.9509 1.9509 5.1283 5.1283 6.7983 6.7983 7.0184 7.0184 8.3402 8.3402 9.0309 9.0309 9.0476 9.0476 9.8157 9.8157 9.8683 9.8683 10.1751 10.1751 10.6903 10.6903 11.3080 11.3080 11.3367 11.3367 k = 0.0465 0.0269-0.0000 ( 3261 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0125 -28.0125 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3451 -1.3451 1.9468 1.9468 5.1397 5.1397 6.7997 6.7997 7.0200 7.0200 8.3309 8.3309 9.0029 9.0029 9.0306 9.0306 9.7951 9.7951 9.8697 9.8697 10.1753 10.1753 10.6728 10.6728 11.3067 11.3067 11.3357 11.3357 k = 0.0581 0.0336-0.0000 ( 3257 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7421 -28.7421 -28.0125 -28.0125 -27.9927 -27.9927 -27.9669 -27.9669 -27.7036 -27.7036 -1.3330 -1.3330 1.9415 1.9415 5.1542 5.1542 6.8015 6.8015 7.0220 7.0220 8.3180 8.3180 8.9683 8.9683 9.0092 9.0092 9.7683 9.7683 9.8734 9.8734 10.1735 10.1735 10.6529 10.6529 11.3050 11.3050 11.3345 11.3345 k = 0.0698 0.0403-0.0000 ( 3251 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7421 -28.7421 -28.0126 -28.0126 -27.9927 -27.9927 -27.9669 -27.9669 -27.7036 -27.7036 -1.3183 -1.3183 1.9350 1.9350 5.1719 5.1719 6.8035 6.8035 7.0244 7.0244 8.3008 8.3008 8.9280 8.9280 8.9839 8.9839 9.7363 9.7363 9.8789 9.8789 10.1688 10.1688 10.6320 10.6320 11.3028 11.3028 11.3332 11.3332 k = 0.0814 0.0470-0.0000 ( 3251 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8042 -28.8042 -28.7422 -28.7422 -28.0127 -28.0127 -27.9927 -27.9927 -27.9670 -27.9670 -27.7036 -27.7036 -1.3009 -1.3009 1.9273 1.9273 5.1928 5.1928 6.8056 6.8056 7.0272 7.0272 8.2786 8.2786 8.8837 8.8837 8.9550 8.9550 9.7002 9.7002 9.8858 9.8858 10.1607 10.1607 10.6114 10.6114 11.3001 11.3001 11.3320 11.3320 k = 0.0930 0.0537-0.0000 ( 3253 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7423 -28.7423 -28.0128 -28.0128 -27.9927 -27.9927 -27.9670 -27.9670 -27.7036 -27.7036 -1.2809 -1.2809 1.9184 1.9184 5.2169 5.2169 6.8076 6.8076 7.0303 7.0303 8.2501 8.2501 8.8371 8.8371 8.9230 8.9230 9.6604 9.6604 9.8940 9.8940 10.1490 10.1490 10.5920 10.5920 11.2970 11.2970 11.3308 11.3308 k = 0.1047 0.0604-0.0000 ( 3259 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7423 -28.7423 -28.0129 -28.0129 -27.9927 -27.9927 -27.9671 -27.9671 -27.7036 -27.7036 -1.2583 -1.2583 1.9084 1.9084 5.2440 5.2440 6.8094 6.8094 7.0336 7.0336 8.2143 8.2143 8.7902 8.7902 8.8884 8.8884 9.6176 9.6176 9.9034 9.9034 10.1339 10.1339 10.5740 10.5740 11.2935 11.2935 11.3298 11.3298 k = 0.1163 0.0671-0.0000 ( 3259 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7424 -28.7424 -28.0130 -28.0130 -27.9927 -27.9927 -27.9671 -27.9671 -27.7037 -27.7037 -1.2332 -1.2332 1.8972 1.8972 5.2743 5.2743 6.8107 6.8107 7.0372 7.0372 8.1702 8.1702 8.7450 8.7450 8.8515 8.8515 9.5721 9.5721 9.9139 9.9139 10.1160 10.1160 10.5574 10.5574 11.2897 11.2897 11.3288 11.3288 k = 0.1279 0.0738-0.0000 ( 3263 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7425 -28.7425 -28.0131 -28.0131 -27.9927 -27.9927 -27.9672 -27.9672 -27.7037 -27.7037 -1.2055 -1.2055 1.8848 1.8848 5.3076 5.3076 6.8110 6.8110 7.0409 7.0409 8.1175 8.1175 8.7031 8.7031 8.8130 8.8130 9.5243 9.5243 9.9255 9.9255 10.0960 10.0960 10.5417 10.5417 11.2856 11.2856 11.3280 11.3280 k = 0.1395 0.0806-0.0000 ( 3255 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7426 -28.7426 -28.0133 -28.0133 -27.9927 -27.9927 -27.9673 -27.9673 -27.7037 -27.7037 -1.1752 -1.1752 1.8712 1.8712 5.3440 5.3440 6.8098 6.8098 7.0447 7.0447 8.0567 8.0567 8.6653 8.6653 8.7734 8.7734 9.4745 9.4745 9.9380 9.9380 10.0749 10.0749 10.5264 10.5264 11.2813 11.2813 11.3273 11.3273 k = 0.1512 0.0873-0.0000 ( 3259 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7427 -28.7427 -28.0134 -28.0134 -27.9926 -27.9926 -27.9674 -27.9674 -27.7037 -27.7037 -1.1425 -1.1425 1.8564 1.8564 5.3833 5.3833 6.8064 6.8064 7.0485 7.0485 7.9891 7.9891 8.6316 8.6316 8.7332 8.7332 9.4230 9.4230 9.9514 9.9514 10.0533 10.0533 10.5109 10.5109 11.2768 11.2768 11.3266 11.3266 k = 0.1628 0.0940-0.0000 ( 3261 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7428 -28.7428 -28.0136 -28.0136 -27.9926 -27.9926 -27.9674 -27.9674 -27.7037 -27.7037 -1.1074 -1.1074 1.8404 1.8404 5.4255 5.4255 6.7997 6.7997 7.0525 7.0525 7.9172 7.9172 8.6010 8.6010 8.6935 8.6935 9.3700 9.3700 9.9657 9.9657 10.0318 10.0318 10.4946 10.4946 11.2723 11.2723 11.3260 11.3260 k = 0.1744 0.1007-0.0000 ( 3265 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7430 -28.7430 -28.0137 -28.0137 -27.9926 -27.9926 -27.9675 -27.9675 -27.7037 -27.7037 -1.0699 -1.0699 1.8232 1.8232 5.4705 5.4705 6.7885 6.7885 7.0566 7.0566 7.8437 7.8437 8.5720 8.5720 8.6555 8.6555 9.3159 9.3159 9.9808 9.9808 10.0109 10.0109 10.4773 10.4773 11.2676 11.2676 11.3254 11.3254 k = 0.1860 0.1074-0.0000 ( 3261 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7431 -28.7431 -28.0139 -28.0139 -27.9926 -27.9926 -27.9676 -27.9676 -27.7037 -27.7037 -1.0300 -1.0300 1.8047 1.8047 5.5184 5.5184 6.7710 6.7710 7.0610 7.0610 7.7716 7.7716 8.5421 8.5421 8.6210 8.6210 9.2609 9.2609 9.9899 9.9899 9.9975 9.9975 10.4585 10.4585 11.2629 11.2629 11.3249 11.3249 k = 0.1977 0.1141-0.0000 ( 3261 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7432 -28.7432 -28.0141 -28.0141 -27.9926 -27.9926 -27.9677 -27.9677 -27.7037 -27.7037 -0.9878 -0.9878 1.7850 1.7850 5.5688 5.5688 6.7455 6.7455 7.0660 7.0660 7.7041 7.7041 8.5092 8.5092 8.5918 8.5918 9.2051 9.2051 9.9712 9.9712 10.0135 10.0135 10.4382 10.4382 11.2582 11.2582 11.3245 11.3245 k = 0.2093 0.1208-0.0000 ( 3257 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8045 -28.8045 -28.7433 -28.7433 -28.0143 -28.0143 -27.9926 -27.9926 -27.9678 -27.9678 -27.7038 -27.7038 -0.9434 -0.9434 1.7640 1.7640 5.6219 5.6219 6.7103 6.7103 7.0718 7.0718 7.6440 7.6440 8.4725 8.4725 8.5682 8.5682 9.1488 9.1488 9.9530 9.9530 10.0306 10.0306 10.4163 10.4163 11.2536 11.2536 11.3240 11.3241 k = 0.2209 0.1276-0.0000 ( 3255 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8045 -28.8045 -28.7435 -28.7435 -28.0145 -28.0145 -27.9926 -27.9926 -27.9679 -27.9679 -27.7038 -27.7038 -0.8969 -0.8969 1.7418 1.7418 5.6773 5.6773 6.6643 6.6643 7.0788 7.0788 7.5933 7.5933 8.4330 8.4330 8.5489 8.5489 9.0923 9.0923 9.9358 9.9358 10.0482 10.0482 10.3929 10.3929 11.2490 11.2490 11.3237 11.3237 k = 0.2326 0.1343-0.0000 ( 3247 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8046 -28.8046 -28.7436 -28.7436 -28.0146 -28.0146 -27.9926 -27.9926 -27.9680 -27.9680 -27.7038 -27.7038 -0.8482 -0.8482 1.7182 1.7182 5.7350 5.7350 6.6074 6.6074 7.0872 7.0872 7.5530 7.5530 8.3918 8.3918 8.5325 8.5325 9.0356 9.0356 9.9195 9.9195 10.0664 10.0664 10.3681 10.3681 11.2444 11.2444 11.3233 11.3233 k = 0.2442 0.1410-0.0000 ( 3247 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8046 -28.8046 -28.7437 -28.7437 -28.0148 -28.0148 -27.9926 -27.9926 -27.9681 -27.9681 -27.7038 -27.7038 -0.7976 -0.7976 1.6933 1.6933 5.7945 5.7945 6.5405 6.5405 7.0971 7.0971 7.5231 7.5231 8.3501 8.3501 8.5179 8.5179 8.9789 8.9789 9.9040 9.9040 10.0848 10.0848 10.3420 10.3420 11.2399 11.2399 11.3230 11.3230 k = 0.2558 0.1477-0.0000 ( 3257 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8046 -28.8046 -28.7439 -28.7439 -28.0150 -28.0150 -27.9926 -27.9926 -27.9682 -27.9682 -27.7038 -27.7038 -0.7450 -0.7450 1.6670 1.6670 5.8553 5.8553 6.4659 6.4659 7.1085 7.1085 7.5026 7.5026 8.3082 8.3082 8.5044 8.5044 8.9222 8.9222 9.8892 9.8892 10.1036 10.1036 10.3149 10.3149 11.2355 11.2355 11.3227 11.3227 k = 0.2674 0.1544-0.0000 ( 3251 PWs) bands (ev): -54.3752 -54.3752 -54.3271 -54.3271 -28.8047 -28.8047 -28.7440 -28.7440 -28.0152 -28.0152 -27.9926 -27.9926 -27.9683 -27.9683 -27.7038 -27.7038 -0.6905 -0.6905 1.6392 1.6392 5.9162 5.9162 6.3866 6.3866 7.1215 7.1215 7.4901 7.4901 8.2666 8.2666 8.4914 8.4914 8.8658 8.8658 9.8750 9.8750 10.1225 10.1225 10.2870 10.2870 11.2312 11.2312 11.3225 11.3225 k = 0.2791 0.1611-0.0000 ( 3259 PWs) bands (ev): -54.3752 -54.3752 -54.3271 -54.3271 -28.8047 -28.8047 -28.7441 -28.7441 -28.0154 -28.0154 -27.9926 -27.9926 -27.9684 -27.9684 -27.7038 -27.7038 -0.6344 -0.6344 1.6101 1.6101 5.9742 5.9742 6.3077 6.3077 7.1359 7.1359 7.4842 7.4842 8.2256 8.2256 8.4787 8.4787 8.8095 8.8095 9.8614 9.8614 10.1415 10.1415 10.2584 10.2584 11.2270 11.2270 11.3222 11.3222 k = 0.2907 0.1678-0.0000 ( 3259 PWs) bands (ev): -54.3752 -54.3752 -54.3271 -54.3271 -28.8047 -28.8047 -28.7443 -28.7443 -28.0156 -28.0156 -27.9926 -27.9926 -27.9685 -27.9685 -27.7039 -27.7039 -0.5766 -0.5766 1.5794 1.5794 6.0185 6.0185 6.2416 6.2416 7.1517 7.1517 7.4835 7.4835 8.1854 8.1854 8.4661 8.4661 8.7535 8.7535 9.8482 9.8482 10.1604 10.1604 10.2296 10.2296 11.2229 11.2229 11.3220 11.3220 k = 0.3023 0.1745-0.0000 ( 3264 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7444 -28.7444 -28.0158 -28.0158 -27.9926 -27.9926 -27.9686 -27.9686 -27.7039 -27.7039 -0.5173 -0.5173 1.5472 1.5472 6.0180 6.0180 6.2212 6.2212 7.1688 7.1688 7.4869 7.4869 8.1461 8.1461 8.4532 8.4532 8.6978 8.6978 9.8352 9.8352 10.1787 10.1787 10.2012 10.2012 11.2190 11.2190 11.3218 11.3218 k = 0.3140 0.1813-0.0000 ( 3264 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7445 -28.7445 -28.0159 -28.0159 -27.9926 -27.9926 -27.9687 -27.9687 -27.7039 -27.7039 -0.4566 -0.4566 1.5134 1.5134 5.9617 5.9617 6.2585 6.2585 7.1870 7.1870 7.4934 7.4934 8.1079 8.1079 8.4400 8.4400 8.6425 8.6425 9.8226 9.8226 10.1710 10.1710 10.1987 10.1987 11.2152 11.2152 11.3217 11.3217 k = 0.3256 0.1880-0.0000 ( 3258 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7447 -28.7447 -28.0161 -28.0161 -27.9926 -27.9926 -27.9688 -27.9688 -27.7039 -27.7039 -0.3947 -0.3947 1.4781 1.4781 5.8838 5.8838 6.3203 6.3203 7.2063 7.2063 7.5022 7.5022 8.0710 8.0710 8.4262 8.4262 8.5874 8.5874 9.8102 9.8102 10.1429 10.1429 10.2166 10.2166 11.2116 11.2116 11.3215 11.3215 k = 0.3372 0.1947-0.0000 ( 3258 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7448 -28.7448 -28.0163 -28.0163 -27.9926 -27.9926 -27.9689 -27.9689 -27.7039 -27.7039 -0.3317 -0.3317 1.4412 1.4412 5.8012 5.8012 6.3906 6.3906 7.2267 7.2267 7.5125 7.5125 8.0355 8.0355 8.4116 8.4116 8.5328 8.5328 9.7980 9.7980 10.1152 10.1152 10.2344 10.2344 11.2082 11.2082 11.3214 11.3214 k = 0.3488 0.2014-0.0000 ( 3262 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7449 -28.7449 -28.0164 -28.0164 -27.9926 -27.9926 -27.9690 -27.9690 -27.7039 -27.7039 -0.2679 -0.2679 1.4026 1.4026 5.7191 5.7191 6.4647 6.4647 7.2480 7.2480 7.5238 7.5238 8.0018 8.0018 8.3956 8.3956 8.4792 8.4792 9.7859 9.7859 10.0883 10.0883 10.2515 10.2515 11.2049 11.2049 11.3213 11.3213 k = 0.3605 0.2081-0.0000 ( 3268 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7450 -28.7450 -28.0166 -28.0166 -27.9926 -27.9926 -27.9691 -27.9691 -27.7039 -27.7039 -0.2034 -0.2034 1.3625 1.3625 5.6395 5.6395 6.5409 6.5409 7.2703 7.2703 7.5352 7.5352 7.9700 7.9700 8.3760 8.3760 8.4286 8.4286 9.7742 9.7742 10.0624 10.0624 10.2680 10.2680 11.2019 11.2019 11.3093 11.3094 k = 0.3721 0.2148-0.0000 ( 3260 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8050 -28.8050 -28.7451 -28.7451 -28.0167 -28.0167 -27.9926 -27.9926 -27.9691 -27.9691 -27.7039 -27.7039 -0.1384 -0.1384 1.3209 1.3209 5.5638 5.5638 6.6183 6.6183 7.2936 7.2936 7.5462 7.5462 7.9407 7.9407 8.3447 8.3447 8.3891 8.3891 9.7628 9.7628 10.0378 10.0378 10.2837 10.2837 11.1988 11.1988 11.2235 11.2235 k = 0.3837 0.2215-0.0000 ( 3262 PWs) bands (ev): -54.3751 -54.3751 -54.3270 -54.3270 -28.8050 -28.8050 -28.7452 -28.7452 -28.0168 -28.0168 -27.9926 -27.9926 -27.9692 -27.9692 -27.7039 -27.7039 -0.0733 -0.0733 1.2778 1.2778 5.4927 5.4927 6.6962 6.6962 7.3178 7.3178 7.5557 7.5557 7.9143 7.9143 8.2974 8.2974 8.3649 8.3649 9.7518 9.7518 10.0147 10.0147 10.2985 10.2985 11.1410 11.1410 11.1966 11.1966 k = 0.3953 0.2283-0.0000 ( 3258 PWs) bands (ev): -54.3751 -54.3751 -54.3270 -54.3270 -28.8050 -28.8050 -28.7453 -28.7453 -28.0170 -28.0170 -27.9926 -27.9926 -27.9693 -27.9693 -27.7040 -27.7040 -0.0084 -0.0084 1.2334 1.2334 5.4269 5.4269 6.7741 6.7741 7.3430 7.3430 7.5628 7.5628 7.8914 7.8914 8.2436 8.2436 8.3466 8.3466 9.7413 9.7413 9.9931 9.9931 10.3122 10.3122 11.0640 11.0640 11.1941 11.1941 k = 0.4070 0.2350-0.0000 ( 3250 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8050 -28.8050 -28.7454 -28.7454 -28.0171 -28.0171 -27.9926 -27.9926 -27.9693 -27.9693 -27.7040 -27.7040 0.0559 0.0559 1.1879 1.1879 5.3668 5.3668 6.8514 6.8514 7.3690 7.3690 7.5667 7.5667 7.8726 7.8726 8.1878 8.1878 8.3299 8.3299 9.7315 9.7315 9.9735 9.9735 10.3248 10.3248 10.9927 10.9927 11.1920 11.1920 k = 0.4186 0.2417-0.0000 ( 3248 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7454 -28.7454 -28.0172 -28.0172 -27.9926 -27.9926 -27.9694 -27.9694 -27.7040 -27.7040 0.1191 0.1191 1.1418 1.1418 5.3130 5.3130 6.9274 6.9274 7.3958 7.3958 7.5665 7.5665 7.8586 7.8586 8.1309 8.1309 8.3141 8.3141 9.7224 9.7224 9.9557 9.9557 10.3362 10.3362 10.9279 10.9279 11.1900 11.1900 k = 0.4302 0.2484-0.0000 ( 3252 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7455 -28.7455 -28.0173 -28.0173 -27.9926 -27.9926 -27.9694 -27.9694 -27.7040 -27.7040 0.1806 0.1806 1.0954 1.0954 5.2656 5.2656 7.0014 7.0014 7.4227 7.4227 7.5625 7.5625 7.8494 7.8494 8.0735 8.0735 8.2991 8.2991 9.7142 9.7142 9.9400 9.9400 10.3462 10.3462 10.8702 10.8702 11.1884 11.1884 k = 0.4419 0.2551-0.0000 ( 3254 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7455 -28.7455 -28.0173 -28.0173 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.2393 0.2393 1.0498 1.0498 5.2250 5.2250 7.0724 7.0724 7.4477 7.4477 7.5567 7.5567 7.8443 7.8443 8.0161 8.0161 8.2852 8.2852 9.7071 9.7071 9.9266 9.9266 10.3547 10.3547 10.8202 10.8202 11.1869 11.1869 k = 0.4535 0.2618-0.0000 ( 3258 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7456 -28.7456 -28.0174 -28.0174 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.2939 0.2939 1.0060 1.0060 5.1915 5.1915 7.1394 7.1394 7.4647 7.4647 7.5559 7.5559 7.8420 7.8420 7.9598 7.9598 8.2729 8.2729 9.7010 9.7010 9.9154 9.9154 10.3619 10.3619 10.7786 10.7786 11.1857 11.1857 k = 0.4651 0.2685-0.0000 ( 3260 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7456 -28.7456 -28.0174 -28.0174 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.3423 0.3423 0.9661 0.9661 5.1653 5.1653 7.2010 7.2010 7.4643 7.4643 7.5701 7.5701 7.8391 7.8391 7.9075 7.9075 8.2625 8.2625 9.6962 9.6962 9.9066 9.9066 10.3674 10.3674 10.7457 10.7457 11.1848 11.1848 k = 0.4767 0.2752-0.0000 ( 3262 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7456 -28.7456 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.3816 0.3816 0.9330 0.9330 5.1464 5.1464 7.2554 7.2554 7.4482 7.4482 7.5980 7.5980 7.8248 7.8248 7.8710 7.8710 8.2547 8.2547 9.6927 9.6927 9.9003 9.9003 10.3715 10.3715 10.7220 10.7220 11.1842 11.1842 k = 0.4884 0.2820-0.0000 ( 3258 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.4079 0.4079 0.9104 0.9104 5.1351 5.1351 7.2984 7.2984 7.4263 7.4263 7.6284 7.6284 7.7927 7.7927 7.8610 7.8610 8.2497 8.2497 9.6906 9.6906 9.8965 9.8965 10.3739 10.3739 10.7077 10.7077 11.1838 11.1838 k = 0.5000 0.2887-0.0000 ( 3268 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.4172 0.4172 0.9023 0.9023 5.1313 5.1313 7.3176 7.3176 7.4140 7.4140 7.6438 7.6438 7.7750 7.7750 7.8596 7.8596 8.2481 8.2481 9.6899 9.6899 9.8952 9.8952 10.3747 10.3747 10.7029 10.7029 11.1836 11.1836 k = 0.5000 0.2887-0.0000 ( 3268 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.4172 0.4172 0.9023 0.9023 5.1313 5.1313 7.3176 7.3176 7.4140 7.4140 7.6438 7.6438 7.7750 7.7750 7.8596 7.8596 8.2481 8.2481 9.6899 9.6899 9.8952 9.8952 10.3747 10.3747 10.7029 10.7029 11.1836 11.1836 k = 0.4933 0.3002-0.0000 ( 3262 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.4179 0.4179 0.9027 0.9027 5.1312 5.1312 7.3061 7.3061 7.4165 7.4165 7.6413 7.6413 7.7760 7.7760 7.8522 7.8522 8.2648 8.2648 9.6916 9.6916 9.8953 9.8953 10.3762 10.3762 10.7025 10.7025 11.1838 11.1838 k = 0.4867 0.3118-0.0000 ( 3258 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9696 -27.9696 -27.7040 -27.7040 0.4200 0.4200 0.9039 0.9039 5.1308 5.1308 7.2766 7.2766 7.4190 7.4190 7.6356 7.6356 7.7601 7.7601 7.8544 7.8544 8.3077 8.3077 9.6968 9.6968 9.8954 9.8954 10.3808 10.3808 10.7013 10.7013 11.1841 11.1841 k = 0.4800 0.3233-0.0000 ( 3258 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9696 -27.9696 -27.7040 -27.7040 0.4235 0.4235 0.9057 0.9057 5.1302 5.1302 7.2359 7.2359 7.4138 7.4138 7.6297 7.6297 7.7198 7.7198 7.8843 7.8843 8.3641 8.3641 9.7054 9.7054 9.8958 9.8958 10.3885 10.3885 10.6992 10.6992 11.1847 11.1847 k = 0.4733 0.3349-0.0000 ( 3256 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9696 -27.9696 -27.7040 -27.7040 0.4284 0.4284 0.9083 0.9083 5.1292 5.1292 7.1882 7.1882 7.3951 7.3951 7.6237 7.6237 7.6792 7.6792 7.9283 7.9283 8.4252 8.4252 9.7170 9.7170 9.8963 9.8963 10.3991 10.3991 10.6964 10.6964 11.1855 11.1855 k = 0.4667 0.3464-0.0000 ( 3248 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0176 -28.0176 -27.9926 -27.9926 -27.9696 -27.9696 -27.7040 -27.7040 0.4346 0.4346 0.9115 0.9115 5.1278 5.1278 7.1354 7.1354 7.3592 7.3592 7.6143 7.6143 7.6556 7.6556 7.9794 7.9794 8.4864 8.4864 9.7314 9.7314 9.8970 9.8970 10.4129 10.4129 10.6929 10.6929 11.1865 11.1865 k = 0.4600 0.3580-0.0000 ( 3250 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0176 -28.0176 -27.9925 -27.9925 -27.9696 -27.9696 -27.7040 -27.7040 0.4423 0.4423 0.9152 0.9152 5.1256 5.1256 7.0787 7.0787 7.3079 7.3079 7.6027 7.6027 7.6505 7.6505 8.0345 8.0345 8.5450 8.5450 9.7480 9.7480 9.8978 9.8978 10.4295 10.4295 10.6885 10.6885 11.1877 11.1877 k = 0.4533 0.3695-0.0000 ( 3246 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0176 -28.0176 -27.9925 -27.9925 -27.9696 -27.9696 -27.7040 -27.7040 0.4513 0.4513 0.9192 0.9192 5.1226 5.1226 7.0189 7.0189 7.2475 7.2475 7.5951 7.5951 7.6544 7.6544 8.0921 8.0921 8.5996 8.5996 9.7664 9.7664 9.8989 9.8989 10.4491 10.4491 10.6833 10.6833 11.1892 11.1892 k = 0.4467 0.3811-0.0000 ( 3251 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7458 -28.7458 -28.0176 -28.0176 -27.9925 -27.9925 -27.9696 -27.9696 -27.7040 -27.7040 0.4616 0.4616 0.9236 0.9236 5.1186 5.1186 6.9566 6.9566 7.1841 7.1841 7.5921 7.5921 7.6625 7.6625 8.1511 8.1511 8.6497 8.6497 9.7858 9.7858 9.9003 9.9003 10.4716 10.4716 10.6774 10.6774 11.1908 11.1908 k = 0.4400 0.3926-0.0000 ( 3259 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7458 -28.7458 -28.0177 -28.0177 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.4733 0.4733 0.9280 0.9280 5.1132 5.1132 6.8926 6.8926 7.1215 7.1215 7.5921 7.5921 7.6733 7.6733 8.2108 8.2108 8.6948 8.6948 9.8054 9.8054 9.9023 9.9023 10.4968 10.4968 10.6707 10.6707 11.1927 11.1927 k = 0.4333 0.4041-0.0000 ( 3263 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7458 -28.7458 -28.0177 -28.0177 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.4863 0.4863 0.9324 0.9324 5.1064 5.1064 6.8280 6.8280 7.0617 7.0617 7.5944 7.5944 7.6859 7.6859 8.2704 8.2704 8.7351 8.7351 9.8243 9.8243 9.9049 9.9049 10.5248 10.5248 10.6634 10.6634 11.1946 11.1947 k = 0.4267 0.4157-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7458 -28.7458 -28.0177 -28.0177 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.5005 0.5005 0.9365 0.9365 5.0977 5.0977 6.7643 6.7643 7.0057 7.0057 7.5982 7.5982 7.6999 7.6999 8.3296 8.3296 8.7708 8.7708 9.8415 9.8415 9.9086 9.9086 10.5553 10.5553 10.6557 10.6557 11.1968 11.1968 k = 0.4200 0.4272-0.0000 ( 3257 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0178 -28.0178 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.5161 0.5161 0.9402 0.9402 5.0871 5.0871 6.7029 6.7029 6.9534 6.9534 7.6033 7.6033 7.7148 7.7148 8.3877 8.3877 8.8023 8.8023 9.8561 9.8561 9.9138 9.9138 10.5877 10.5877 10.6480 10.6480 11.1991 11.1991 k = 0.4133 0.4388-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0178 -28.0178 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.5328 0.5328 0.9430 0.9430 5.0745 5.0745 6.6453 6.6453 6.9049 6.9049 7.6096 7.6096 7.7302 7.7302 8.4443 8.4443 8.8298 8.8298 9.8673 9.8673 9.9208 9.9208 10.6171 10.6171 10.6452 10.6452 11.2015 11.2015 k = 0.4067 0.4503-0.0000 ( 3259 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0179 -28.0179 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.5508 0.5508 0.9449 0.9449 5.0598 5.0598 6.5925 6.5925 6.8599 6.8599 7.6170 7.6170 7.7457 7.7457 8.4989 8.4989 8.8538 8.8538 9.8751 9.8751 9.9292 9.9292 10.6210 10.6210 10.6700 10.6700 11.2040 11.2040 k = 0.4000 0.4619-0.0000 ( 3255 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0179 -28.0179 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.5700 0.5700 0.9455 0.9455 5.0432 5.0432 6.5453 6.5453 6.8183 6.8183 7.6254 7.6254 7.7607 7.7607 8.5510 8.5510 8.8748 8.8748 9.8803 9.8803 9.9380 9.9380 10.6125 10.6125 10.7092 10.7092 11.2066 11.2066 k = 0.3933 0.4734-0.0000 ( 3263 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0179 -28.0179 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.5903 0.5903 0.9445 0.9445 5.0249 5.0249 6.5045 6.5045 6.7799 6.7799 7.6349 7.6349 7.7749 7.7749 8.6001 8.6001 8.8930 8.8930 9.8839 9.8839 9.9462 9.9462 10.6022 10.6022 10.7521 10.7521 11.2092 11.2092 k = 0.3867 0.4850-0.0000 ( 3263 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0180 -28.0180 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6118 0.6118 0.9417 0.9417 5.0054 5.0054 6.4700 6.4700 6.7448 6.7448 7.6454 7.6454 7.7878 7.7878 8.6456 8.6456 8.9088 8.9088 9.8866 9.8866 9.9530 9.9530 10.5914 10.5914 10.7976 10.7976 11.2118 11.2118 k = 0.3800 0.4965-0.0000 ( 3267 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0180 -28.0180 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6343 0.6343 0.9367 0.9367 4.9852 4.9852 6.4420 6.4420 6.7130 6.7130 7.6570 7.6570 7.7988 7.7988 8.6871 8.6871 8.9225 8.9225 9.8886 9.8886 9.9581 9.9581 10.5805 10.5805 10.8454 10.8454 11.2143 11.2143 k = 0.3733 0.5081-0.0000 ( 3269 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0180 -28.0180 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6578 0.6578 0.9292 0.9292 4.9652 4.9652 6.4200 6.4200 6.6846 6.6846 7.6697 7.6697 7.8075 7.8075 8.7239 8.7239 8.9343 8.9343 9.8905 9.8905 9.9615 9.9615 10.5698 10.5698 10.8952 10.8952 11.2166 11.2166 k = 0.3667 0.5196-0.0000 ( 3265 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6824 0.6824 0.9190 0.9190 4.9460 4.9460 6.4037 6.4037 6.6597 6.6597 7.6835 7.6835 7.8131 7.8131 8.7557 8.7557 8.9444 8.9444 9.8922 9.8922 9.9633 9.9633 10.5596 10.5596 10.9468 10.9468 11.2187 11.2187 k = 0.3600 0.5312-0.0000 ( 3265 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.7078 0.7078 0.9057 0.9057 4.9286 4.9286 6.3922 6.3922 6.6386 6.6386 7.6983 7.6983 7.8153 7.8153 8.7820 8.7820 8.9529 8.9529 9.8940 9.8940 9.9635 9.9635 10.5504 10.5504 10.9997 10.9997 11.2202 11.2202 k = 0.3533 0.5427-0.0000 ( 3265 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7342 0.7342 0.8892 0.8892 4.9137 4.9137 6.3847 6.3847 6.6217 6.6217 7.7142 7.7142 7.8134 7.8134 8.8025 8.8025 8.9596 8.9596 9.8958 9.8958 9.9626 9.9626 10.5426 10.5426 11.0532 11.0532 11.2207 11.2207 k = 0.3467 0.5543-0.0000 ( 3257 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7615 0.7615 0.8693 0.8693 4.9023 4.9023 6.3805 6.3805 6.6092 6.6092 7.7308 7.7308 7.8073 7.8073 8.8171 8.8171 8.9646 8.9646 9.8977 9.8977 9.9611 9.9611 10.5366 10.5366 11.1058 11.1058 11.2190 11.2190 k = 0.3400 0.5658-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7895 0.7895 0.8457 0.8457 4.8949 4.8949 6.3785 6.3785 6.6015 6.6015 7.7473 7.7473 7.7975 7.7975 8.8258 8.8258 8.9676 8.9676 9.8991 9.8991 9.9594 9.9594 10.5327 10.5327 11.1534 11.1534 11.2126 11.2126 k = 0.3333 0.5774-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0182 -28.0182 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.8169 0.8169 0.8198 0.8198 4.8924 4.8924 6.3780 6.3780 6.5989 6.5989 7.7571 7.7571 7.7899 7.7899 8.8286 8.8286 8.9687 8.9687 9.8997 9.8997 9.9587 9.9587 10.5314 10.5314 11.1815 11.1815 11.2016 11.2016 k = 0.3333 0.5774-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0182 -28.0182 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.8169 0.8169 0.8198 0.8198 4.8924 4.8924 6.3780 6.3780 6.5989 6.5989 7.7571 7.7571 7.7899 7.7899 8.8286 8.8286 8.9687 8.9687 9.8997 9.8997 9.9587 9.9587 10.5314 10.5314 11.1815 11.1815 11.2016 11.2016 k = 0.3267 0.5658-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7873 0.7873 0.8479 0.8479 4.8951 4.8951 6.3783 6.3783 6.6015 6.6015 7.7444 7.7444 7.8003 7.8003 8.8258 8.8258 8.9677 8.9677 9.8989 9.8989 9.9597 9.9597 10.5327 10.5327 11.1550 11.1550 11.2123 11.2123 k = 0.3200 0.5543-0.0000 ( 3257 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7525 0.7525 0.8781 0.8781 4.9035 4.9035 6.3792 6.3792 6.6092 6.6092 7.7172 7.7172 7.8204 7.8204 8.8175 8.8175 8.9647 8.9647 9.8962 9.8962 9.9633 9.9633 10.5368 10.5368 11.1143 11.1143 11.2187 11.2187 k = 0.3133 0.5427-0.0000 ( 3253 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.7140 0.7140 0.9088 0.9088 4.9180 4.9180 6.3805 6.3805 6.6214 6.6214 7.6823 7.6823 7.8436 7.8436 8.8040 8.8040 8.9599 8.9599 9.8918 9.8918 9.9695 9.9695 10.5431 10.5431 11.0745 11.0745 11.2208 11.2208 k = 0.3067 0.5312-0.0000 ( 3245 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6719 0.6719 0.9400 0.9400 4.9388 4.9388 6.3823 6.3823 6.6377 6.6377 7.6409 7.6409 7.8686 7.8686 8.7855 8.7855 8.9535 8.9535 9.8859 9.8859 9.9780 9.9780 10.5510 10.5510 11.0402 11.0402 11.2210 11.2210 k = 0.3000 0.5196-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0181 -28.0181 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.6265 0.6265 0.9717 0.9717 4.9658 4.9658 6.3848 6.3848 6.6574 6.6574 7.5937 7.5937 7.8952 7.8952 8.7625 8.7625 8.9458 8.9458 9.8793 9.8793 9.9886 9.9886 10.5589 10.5589 11.0137 11.0137 11.2203 11.2203 k = 0.2933 0.5081-0.0000 ( 3259 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0180 -28.0180 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.5778 0.5778 1.0038 1.0038 4.9993 4.9993 6.3884 6.3884 6.6799 6.6799 7.5412 7.5412 7.9232 7.9232 8.7356 8.7356 8.9367 8.9367 9.8723 9.8723 10.0007 10.0007 10.5652 10.5652 10.9973 10.9973 11.2193 11.2193 k = 0.2867 0.4965-0.0000 ( 3265 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7460 -28.7460 -28.0180 -28.0180 -27.9925 -27.9925 -27.9699 -27.9699 -27.7040 -27.7040 0.5262 0.5262 1.0363 1.0363 5.0391 5.0391 6.3932 6.3932 6.7044 6.7044 7.4838 7.4838 7.9526 7.9526 8.7055 8.7055 8.9265 8.9265 9.8654 9.8654 10.0142 10.0142 10.5677 10.5677 10.9924 10.9924 11.2182 11.2182 k = 0.2800 0.4850-0.0000 ( 3269 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0179 -28.0179 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.4719 0.4719 1.0690 1.0690 5.0851 5.0851 6.3992 6.3992 6.7303 6.7303 7.4224 7.4224 7.9833 7.9833 8.6729 8.6729 8.9152 8.9152 9.8589 9.8589 10.0289 10.0289 10.5651 10.5651 11.0003 11.0003 11.2170 11.2170 k = 0.2733 0.4734-0.0000 ( 3273 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7459 -28.7459 -28.0178 -28.0178 -27.9925 -27.9925 -27.9698 -27.9698 -27.7040 -27.7040 0.4152 0.4152 1.1019 1.1019 5.1372 5.1372 6.4067 6.4067 6.7572 6.7572 7.3575 7.3575 8.0153 8.0153 8.6385 8.6385 8.9029 8.9029 9.8529 9.8529 10.0446 10.0446 10.5568 10.5568 11.0206 11.0206 11.2160 11.2160 k = 0.2667 0.4619-0.0000 ( 3273 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7458 -28.7458 -28.0177 -28.0177 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.3565 0.3565 1.1349 1.1349 5.1951 5.1951 6.4155 6.4155 6.7842 6.7842 7.2902 7.2902 8.0485 8.0485 8.6030 8.6030 8.8897 8.8897 9.8476 9.8476 10.0611 10.0611 10.5433 10.5433 11.0521 11.0521 11.2151 11.2151 k = 0.2600 0.4503-0.0000 ( 3277 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7458 -28.7458 -28.0177 -28.0177 -27.9925 -27.9925 -27.9697 -27.9697 -27.7040 -27.7040 0.2960 0.2960 1.1680 1.1680 5.2585 5.2585 6.4256 6.4256 6.8108 6.8108 7.2213 7.2213 8.0826 8.0826 8.5673 8.5673 8.8756 8.8756 9.8432 9.8432 10.0784 10.0784 10.5256 10.5256 11.0924 11.0924 11.2145 11.2145 k = 0.2533 0.4388-0.0000 ( 3281 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0176 -28.0176 -27.9925 -27.9925 -27.9696 -27.9696 -27.7040 -27.7040 0.2340 0.2340 1.2012 1.2012 5.3273 5.3273 6.4367 6.4367 6.8356 6.8356 7.1527 7.1527 8.1175 8.1175 8.5322 8.5322 8.8609 8.8609 9.8398 9.8398 10.0963 10.0963 10.5049 10.5049 11.1385 11.1385 11.2141 11.2141 k = 0.2467 0.4272-0.0000 ( 3281 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7456 -28.7456 -28.0175 -28.0175 -27.9925 -27.9925 -27.9696 -27.9696 -27.7040 -27.7040 0.1708 0.1708 1.2342 1.2342 5.4012 5.4012 6.4484 6.4484 6.8563 6.8563 7.0871 7.0871 8.1526 8.1526 8.4987 8.4987 8.8456 8.8456 9.8374 9.8374 10.1148 10.1148 10.4822 10.4822 11.1854 11.1854 11.2147 11.2147 k = 0.2400 0.4157-0.0000 ( 3273 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7455 -28.7455 -28.0173 -28.0173 -27.9925 -27.9925 -27.9695 -27.9695 -27.7040 -27.7040 0.1067 0.1067 1.2671 1.2671 5.4797 5.4797 6.4602 6.4602 6.8666 6.8666 7.0318 7.0318 8.1871 8.1871 8.4683 8.4683 8.8300 8.8300 9.8361 9.8361 10.1338 10.1338 10.4581 10.4581 11.2113 11.2113 11.2308 11.2308 k = 0.2333 0.4041-0.0000 ( 3269 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7454 -28.7454 -28.0172 -28.0172 -27.9925 -27.9925 -27.9694 -27.9694 -27.7040 -27.7040 0.0421 0.0421 1.2998 1.2998 5.5625 5.5625 6.4708 6.4708 6.8532 6.8532 7.0013 7.0013 8.2191 8.2191 8.4431 8.4431 8.8142 8.8142 9.8359 9.8359 10.1532 10.1532 10.4333 10.4333 11.2129 11.2129 11.2585 11.2585 k = 0.2267 0.3926-0.0000 ( 3269 PWs) bands (ev): -54.3750 -54.3750 -54.3271 -54.3271 -28.8050 -28.8050 -28.7453 -28.7453 -28.0171 -28.0171 -27.9925 -27.9925 -27.9694 -27.9694 -27.7040 -27.7040 -0.0229 -0.0229 1.3323 1.3323 5.6493 5.6493 6.4784 6.4784 6.8132 6.8132 7.0003 7.0003 8.2450 8.2450 8.4273 8.4273 8.7984 8.7984 9.8367 9.8367 10.1729 10.1729 10.4079 10.4079 11.2136 11.2136 11.2749 11.2749 k = 0.2200 0.3811-0.0000 ( 3275 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8050 -28.8050 -28.7452 -28.7452 -28.0169 -28.0169 -27.9925 -27.9925 -27.9693 -27.9693 -27.7040 -27.7040 -0.0880 -0.0880 1.3644 1.3644 5.7395 5.7395 6.4795 6.4795 6.7653 6.7653 7.0141 7.0141 8.2592 8.2592 8.4268 8.4268 8.7829 8.7829 9.8386 9.8386 10.1930 10.1930 10.3823 10.3823 11.2145 11.2145 11.2846 11.2846 k = 0.2133 0.3695-0.0000 ( 3263 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8050 -28.8050 -28.7451 -28.7451 -28.0168 -28.0168 -27.9925 -27.9925 -27.9692 -27.9692 -27.7039 -27.7039 -0.1529 -0.1529 1.3961 1.3961 5.8325 5.8325 6.4687 6.4687 6.7251 6.7251 7.0327 7.0327 8.2596 8.2596 8.4442 8.4442 8.7678 8.7678 9.8415 9.8415 10.2133 10.2133 10.3566 10.3566 11.2156 11.2156 11.2911 11.2911 k = 0.2067 0.3580-0.0000 ( 3257 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7450 -28.7450 -28.0166 -28.0166 -27.9925 -27.9925 -27.9691 -27.9691 -27.7039 -27.7039 -0.2175 -0.2175 1.4274 1.4274 5.9272 5.9272 6.4414 6.4414 6.7013 6.7013 7.0525 7.0525 8.2505 8.2505 8.4753 8.4753 8.7534 8.7534 9.8454 9.8454 10.2338 10.2338 10.3310 10.3310 11.2170 11.2170 11.2959 11.2959 k = 0.2000 0.3464-0.0000 ( 3253 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7449 -28.7449 -28.0165 -28.0165 -27.9925 -27.9925 -27.9690 -27.9690 -27.7039 -27.7039 -0.2815 -0.2815 1.4582 1.4582 6.0217 6.0217 6.3999 6.3999 6.6944 6.6944 7.0722 7.0722 8.2381 8.2381 8.5144 8.5144 8.7399 8.7399 9.8502 9.8502 10.2543 10.2543 10.3056 10.3056 11.2186 11.2186 11.2998 11.2998 k = 0.1933 0.3349-0.0000 ( 3259 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8049 -28.8049 -28.7448 -28.7448 -28.0163 -28.0163 -27.9926 -27.9926 -27.9689 -27.9689 -27.7039 -27.7039 -0.3447 -0.3447 1.4884 1.4884 6.1097 6.1097 6.3554 6.3554 6.6995 6.6995 7.0914 7.0914 8.2261 8.2261 8.5578 8.5578 8.7278 8.7278 9.8559 9.8559 10.2748 10.2748 10.2804 10.2804 11.2205 11.2205 11.3029 11.3029 k = 0.1867 0.3233-0.0000 ( 3263 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7447 -28.7447 -28.0161 -28.0161 -27.9926 -27.9926 -27.9688 -27.9688 -27.7039 -27.7039 -0.4070 -0.4070 1.5179 1.5179 6.1663 6.1663 6.3375 6.3375 6.7114 6.7114 7.1101 7.1101 8.2164 8.2164 8.6033 8.6033 8.7178 8.7178 9.8623 9.8623 10.2555 10.2555 10.2953 10.2953 11.2227 11.2227 11.3057 11.3057 k = 0.1800 0.3118-0.0000 ( 3259 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7445 -28.7445 -28.0159 -28.0159 -27.9926 -27.9926 -27.9687 -27.9687 -27.7039 -27.7039 -0.4683 -0.4683 1.5468 1.5468 6.1519 6.1519 6.3880 6.3880 6.7272 6.7272 7.1285 7.1285 8.2101 8.2101 8.6473 8.6473 8.7128 8.7128 9.8696 9.8696 10.2309 10.2309 10.3156 10.3156 11.2251 11.2251 11.3081 11.3081 k = 0.1733 0.3002-0.0000 ( 3263 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8048 -28.8048 -28.7444 -28.7444 -28.0158 -28.0158 -27.9926 -27.9926 -27.9686 -27.9686 -27.7039 -27.7039 -0.5282 -0.5282 1.5750 1.5750 6.0996 6.0996 6.4741 6.4741 6.7455 6.7455 7.1472 7.1472 8.2080 8.2080 8.6748 8.6748 8.7273 8.7273 9.8777 9.8777 10.2069 10.2069 10.3355 10.3355 11.2278 11.2278 11.3102 11.3102 k = 0.1667 0.2887-0.0000 ( 3267 PWs) bands (ev): -54.3751 -54.3751 -54.3271 -54.3271 -28.8047 -28.8047 -28.7443 -28.7443 -28.0156 -28.0156 -27.9926 -27.9926 -27.9685 -27.9685 -27.7039 -27.7039 -0.5869 -0.5869 1.6024 1.6024 6.0380 6.0380 6.5653 6.5653 6.7667 6.7667 7.1673 7.1673 8.2106 8.2106 8.6772 8.6772 8.7698 8.7698 9.8864 9.8864 10.1832 10.1832 10.3551 10.3551 11.2307 11.2307 11.3121 11.3121 k = 0.1600 0.2771-0.0000 ( 3269 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8047 -28.8047 -28.7441 -28.7441 -28.0154 -28.0154 -27.9926 -27.9926 -27.9684 -27.9684 -27.7038 -27.7038 -0.6440 -0.6440 1.6290 1.6290 5.9743 5.9743 6.6495 6.6495 6.7936 6.7936 7.1906 7.1906 8.2180 8.2180 8.6738 8.6738 8.8208 8.8208 9.8959 9.8959 10.1601 10.1601 10.3741 10.3741 11.2338 11.2338 11.3138 11.3138 k = 0.1533 0.2656-0.0000 ( 3267 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8047 -28.8047 -28.7440 -28.7440 -28.0152 -28.0152 -27.9926 -27.9926 -27.9683 -27.9683 -27.7038 -27.7038 -0.6994 -0.6994 1.6548 1.6548 5.9105 5.9105 6.7139 6.7139 6.8332 6.8332 7.2199 7.2199 8.2306 8.2306 8.6705 8.6705 8.8743 8.8743 9.9062 9.9062 10.1376 10.1376 10.3925 10.3925 11.2371 11.2371 11.3154 11.3154 k = 0.1467 0.2540-0.0000 ( 3271 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8046 -28.8046 -28.7439 -28.7439 -28.0150 -28.0150 -27.9926 -27.9926 -27.9682 -27.9682 -27.7038 -27.7038 -0.7532 -0.7532 1.6796 1.6796 5.8478 5.8478 6.7523 6.7523 6.8866 6.8866 7.2593 7.2593 8.2484 8.2484 8.6685 8.6685 8.9291 8.9291 9.9173 9.9173 10.1156 10.1156 10.4102 10.4102 11.2406 11.2406 11.3168 11.3168 k = 0.1400 0.2425-0.0000 ( 3269 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8046 -28.8046 -28.7437 -28.7437 -28.0148 -28.0148 -27.9926 -27.9926 -27.9681 -27.9681 -27.7038 -27.7038 -0.8051 -0.8051 1.7035 1.7035 5.7866 5.7866 6.7742 6.7742 6.9390 6.9390 7.3129 7.3129 8.2712 8.2712 8.6681 8.6681 8.9848 8.9848 9.9292 9.9292 10.0943 10.0943 10.4271 10.4271 11.2443 11.2443 11.3182 11.3182 k = 0.1333 0.2309-0.0000 ( 3263 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8045 -28.8045 -28.7436 -28.7436 -28.0146 -28.0146 -27.9926 -27.9926 -27.9680 -27.9680 -27.7038 -27.7038 -0.8551 -0.8551 1.7265 1.7265 5.7273 5.7273 6.7885 6.7885 6.9799 6.9799 7.3818 7.3818 8.2989 8.2989 8.6697 8.6697 9.0409 9.0409 9.9419 9.9419 10.0737 10.0737 10.4430 10.4430 11.2482 11.2482 11.3194 11.3194 k = 0.1267 0.2194-0.0000 ( 3263 PWs) bands (ev): -54.3752 -54.3752 -54.3272 -54.3272 -28.8045 -28.8045 -28.7435 -28.7435 -28.0144 -28.0144 -27.9926 -27.9926 -27.9679 -27.9679 -27.7038 -27.7038 -0.9032 -0.9032 1.7484 1.7484 5.6701 5.6701 6.7986 6.7986 7.0077 7.0077 7.4633 7.4633 8.3311 8.3311 8.6735 8.6735 9.0972 9.0972 9.9557 9.9557 10.0538 10.0538 10.4580 10.4580 11.2522 11.2522 11.3205 11.3205 k = 0.1200 0.2078-0.0000 ( 3267 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8045 -28.8045 -28.7433 -28.7433 -28.0143 -28.0143 -27.9926 -27.9926 -27.9678 -27.9678 -27.7038 -27.7038 -0.9491 -0.9491 1.7694 1.7694 5.6152 5.6152 6.8058 6.8058 7.0254 7.0254 7.5527 7.5527 8.3674 8.3674 8.6798 8.6798 9.1536 9.1536 9.9704 9.9704 10.0347 10.0347 10.4720 10.4720 11.2563 11.2563 11.3215 11.3215 k = 0.1133 0.1963-0.0000 ( 3267 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7432 -28.7432 -28.0141 -28.0141 -27.9926 -27.9926 -27.9677 -27.9677 -27.7037 -27.7037 -0.9929 -0.9929 1.7893 1.7893 5.5628 5.5628 6.8109 6.8109 7.0360 7.0360 7.6454 7.6454 8.4073 8.4073 8.6889 8.6889 9.2097 9.2097 9.9861 9.9861 10.0165 10.0165 10.4849 10.4849 11.2605 11.2605 11.3225 11.3225 k = 0.1067 0.1848-0.0000 ( 3263 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7431 -28.7431 -28.0139 -28.0139 -27.9926 -27.9926 -27.9676 -27.9676 -27.7037 -27.7037 -1.0345 -1.0345 1.8082 1.8082 5.5129 5.5129 6.8143 6.8143 7.0418 7.0418 7.7381 7.7381 8.4502 8.4502 8.7011 8.7011 9.2654 9.2654 9.9976 9.9976 10.0044 10.0044 10.4970 10.4970 11.2648 11.2648 11.3234 11.3234 k = 0.1000 0.1732-0.0000 ( 3269 PWs) bands (ev): -54.3753 -54.3753 -54.3272 -54.3272 -28.8044 -28.8044 -28.7430 -28.7430 -28.0137 -28.0137 -27.9926 -27.9926 -27.9675 -27.9675 -27.7037 -27.7037 -1.0739 -1.0739 1.8259 1.8259 5.4657 5.4657 6.8162 6.8162 7.0444 7.0444 7.8280 7.8280 8.4956 8.4956 8.7169 8.7169 9.3203 9.3203 9.9820 9.9820 10.0214 10.0214 10.5083 10.5083 11.2691 11.2691 11.3243 11.3243 k = 0.0933 0.1617-0.0000 ( 3273 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7428 -28.7428 -28.0136 -28.0136 -27.9926 -27.9926 -27.9674 -27.9674 -27.7037 -27.7037 -1.1109 -1.1109 1.8426 1.8426 5.4212 5.4212 6.8170 6.8170 7.0448 7.0448 7.9130 7.9130 8.5428 8.5428 8.7366 8.7366 9.3743 9.3743 9.9664 9.9664 10.0403 10.0403 10.5190 10.5190 11.2735 11.2735 11.3251 11.3251 k = 0.0867 0.1501-0.0000 ( 3281 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7427 -28.7427 -28.0134 -28.0134 -27.9926 -27.9926 -27.9674 -27.9674 -27.7037 -27.7037 -1.1456 -1.1456 1.8582 1.8582 5.3796 5.3796 6.8168 6.8168 7.0438 7.0438 7.9913 7.9913 8.5913 8.5913 8.7604 8.7604 9.4270 9.4270 9.9518 9.9518 10.0600 10.0600 10.5295 10.5295 11.2778 11.2778 11.3260 11.3260 k = 0.0800 0.1386-0.0000 ( 3281 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7426 -28.7426 -28.0133 -28.0133 -27.9927 -27.9927 -27.9673 -27.9673 -27.7037 -27.7037 -1.1779 -1.1779 1.8726 1.8726 5.3408 5.3408 6.8158 6.8158 7.0417 7.0417 8.0615 8.0615 8.6408 8.6408 8.7882 8.7882 9.4782 9.4782 9.9380 9.9380 10.0800 10.0800 10.5401 10.5401 11.2820 11.2820 11.3268 11.3268 k = 0.0733 0.1270-0.0000 ( 3265 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8043 -28.8043 -28.7425 -28.7425 -28.0131 -28.0131 -27.9927 -27.9927 -27.9672 -27.9672 -27.7037 -27.7037 -1.2077 -1.2077 1.8859 1.8859 5.3050 5.3050 6.8143 6.8143 7.0391 7.0391 8.1228 8.1228 8.6909 8.6909 8.8193 8.8193 9.5277 9.5277 9.9254 9.9254 10.0998 10.0998 10.5515 10.5515 11.2862 11.2862 11.3278 11.3278 k = 0.0667 0.1155-0.0000 ( 3265 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7424 -28.7424 -28.0130 -28.0130 -27.9927 -27.9927 -27.9671 -27.9671 -27.7037 -27.7037 -1.2350 -1.2350 1.8981 1.8981 5.2721 5.2721 6.8124 6.8124 7.0361 7.0361 8.1747 8.1747 8.7413 8.7413 8.8527 8.8527 9.5751 9.5751 9.9137 9.9137 10.1187 10.1187 10.5641 10.5641 11.2901 11.2901 11.3287 11.3287 k = 0.0600 0.1039-0.0000 ( 3259 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7423 -28.7423 -28.0129 -28.0129 -27.9927 -27.9927 -27.9671 -27.9671 -27.7036 -27.7036 -1.2598 -1.2598 1.9091 1.9091 5.2422 5.2422 6.8102 6.8102 7.0330 7.0330 8.2176 8.2176 8.7915 8.7915 8.8872 8.8872 9.6202 9.6202 9.9032 9.9032 10.1357 10.1357 10.5785 10.5785 11.2939 11.2939 11.3297 11.3297 k = 0.0533 0.0924-0.0000 ( 3255 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8042 -28.8042 -28.7423 -28.7423 -28.0128 -28.0128 -27.9927 -27.9927 -27.9670 -27.9670 -27.7036 -27.7036 -1.2821 -1.2821 1.9190 1.9190 5.2154 5.2154 6.8079 6.8079 7.0299 7.0299 8.2523 8.2523 8.8406 8.8406 8.9212 8.9212 9.6626 9.6626 9.8938 9.8938 10.1502 10.1502 10.5949 10.5949 11.2973 11.2973 11.3308 11.3308 k = 0.0467 0.0808-0.0000 ( 3251 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8042 -28.8042 -28.7422 -28.7422 -28.0127 -28.0127 -27.9927 -27.9927 -27.9669 -27.9669 -27.7036 -27.7036 -1.3018 -1.3018 1.9277 1.9277 5.1917 5.1917 6.8056 6.8056 7.0270 7.0270 8.2800 8.2800 8.8876 8.8876 8.9535 8.9535 9.7019 9.7019 9.8856 9.8856 10.1614 10.1614 10.6134 10.6134 11.3003 11.3003 11.3320 11.3320 k = 0.0400 0.0693-0.0000 ( 3255 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7421 -28.7421 -28.0126 -28.0126 -27.9927 -27.9927 -27.9669 -27.9669 -27.7036 -27.7036 -1.3190 -1.3190 1.9353 1.9353 5.1711 5.1711 6.8034 6.8034 7.0243 7.0243 8.3017 8.3017 8.9312 8.9312 8.9830 8.9830 9.7377 9.7377 9.8787 9.8787 10.1692 10.1692 10.6333 10.6333 11.3029 11.3029 11.3333 11.3333 k = 0.0333 0.0577-0.0000 ( 3255 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7421 -28.7421 -28.0125 -28.0125 -27.9927 -27.9927 -27.9669 -27.9669 -27.7036 -27.7036 -1.3335 -1.3335 1.9417 1.9417 5.1536 5.1536 6.8014 6.8014 7.0219 7.0219 8.3185 8.3185 8.9705 8.9705 9.0089 9.0089 9.7693 9.7693 9.8733 9.8733 10.1737 10.1737 10.6537 10.6537 11.3050 11.3050 11.3345 11.3345 k = 0.0267 0.0462-0.0000 ( 3259 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0125 -28.0125 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3454 -1.3454 1.9469 1.9469 5.1393 5.1393 6.7997 6.7997 7.0199 7.0199 8.3312 8.3312 9.0043 9.0043 9.0306 9.0306 9.7958 9.7958 9.8697 9.8697 10.1754 10.1754 10.6734 10.6734 11.3068 11.3068 11.3357 11.3357 k = 0.0200 0.0346-0.0000 ( 3267 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0124 -28.0124 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3547 -1.3547 1.9510 1.9510 5.1281 5.1281 6.7983 6.7983 7.0184 7.0184 8.3404 8.3404 9.0316 9.0316 9.0477 9.0477 9.8160 9.8160 9.8684 9.8684 10.1751 10.1751 10.6907 10.6907 11.3080 11.3080 11.3367 11.3367 k = 0.0133 0.0231-0.0000 ( 3263 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0124 -28.0124 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3613 -1.3613 1.9539 1.9539 5.1202 5.1202 6.7972 6.7972 7.0172 7.0172 8.3467 8.3467 9.0517 9.0517 9.0601 9.0601 9.8289 9.8289 9.8698 9.8698 10.1739 10.1739 10.7043 10.7043 11.3089 11.3089 11.3376 11.3376 k = 0.0067 0.0115-0.0000 ( 3247 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0123 -28.0123 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3653 -1.3653 1.9556 1.9556 5.1154 5.1154 6.7966 6.7966 7.0165 7.0165 8.3503 8.3503 9.0640 9.0640 9.0677 9.0677 9.8350 9.8350 9.8726 9.8726 10.1727 10.1727 10.7129 10.7129 11.3095 11.3095 11.3381 11.3381 k = 0.0000 0.0000 0.0000 ( 3233 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0123 -28.0123 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3666 -1.3666 1.9562 1.9562 5.1138 5.1138 6.7964 6.7964 7.0163 7.0163 8.3515 8.3515 9.0680 9.0680 9.0703 9.0703 9.8366 9.8366 9.8740 9.8740 10.1723 10.1723 10.7159 10.7159 11.3097 11.3097 11.3383 11.3383 k = 0.0000 0.0000 0.0000 ( 3233 PWs) bands (ev): -54.3754 -54.3754 -54.3273 -54.3273 -28.8041 -28.8041 -28.7420 -28.7420 -28.0123 -28.0123 -27.9927 -27.9927 -27.9668 -27.9668 -27.7036 -27.7036 -1.3666 -1.3666 1.9562 1.9562 5.1138 5.1138 6.7964 6.7964 7.0163 7.0163 8.3515 8.3515 9.0680 9.0680 9.0703 9.0703 9.8366 9.8366 9.8740 9.8740 10.1723 10.1723 10.7159 10.7159 11.3097 11.3097 11.3383 11.3383 k = 0.0000 0.0000 0.0135 ( 3245 PWs) bands (ev): -54.3753 -54.3753 -54.3273 -54.3273 -28.8040 -28.8040 -28.7420 -28.7420 -28.0123 -28.0123 -27.9925 -27.9925 -27.9668 -27.9668 -27.7038 -27.7038 -1.3652 -1.3652 1.9500 1.9500 5.1216 5.1216 6.7976 6.7976 7.0175 7.0175 8.3531 8.3531 9.0690 9.0690 9.0713 9.0713 9.8298 9.8298 9.8545 9.8545 10.1882 10.1882 10.7156 10.7156 11.3115 11.3115 11.3441 11.3441 k = 0.0000 0.0000 0.0270 ( 3251 PWs) bands (ev): -54.3752 -54.3752 -54.3275 -54.3275 -28.8038 -28.8038 -28.7421 -28.7421 -28.0122 -28.0122 -27.9920 -27.9920 -27.9669 -27.9669 -27.7046 -27.7046 -1.3610 -1.3610 1.9314 1.9314 5.1447 5.1447 6.8014 6.8014 7.0210 7.0210 8.3578 8.3578 9.0719 9.0719 9.0743 9.0743 9.8054 9.8054 9.8098 9.8098 10.2267 10.2267 10.7144 10.7144 11.3172 11.3172 11.3615 11.3615 k = 0.0000 0.0000 0.0405 ( 3269 PWs) bands (ev): -54.3751 -54.3751 -54.3277 -54.3277 -28.8034 -28.8034 -28.7422 -28.7422 -28.0120 -28.0120 -27.9911 -27.9911 -27.9671 -27.9671 -27.7058 -27.7058 -1.3539 -1.3539 1.9011 1.9011 5.1826 5.1826 6.8076 6.8076 7.0269 7.0269 8.3656 8.3656 9.0769 9.0769 9.0793 9.0793 9.7403 9.7403 9.7777 9.7777 10.2737 10.2737 10.7116 10.7116 11.3269 11.3269 11.3898 11.3898 k = 0.0000 0.0000 0.0541 ( 3263 PWs) bands (ev): -54.3748 -54.3748 -54.3279 -54.3279 -28.8029 -28.8029 -28.7423 -28.7423 -28.0118 -28.0118 -27.9899 -27.9899 -27.9673 -27.9673 -27.7075 -27.7075 -1.3440 -1.3440 1.8600 1.8600 5.2344 5.2344 6.8164 6.8164 7.0352 7.0352 8.3764 8.3764 9.0839 9.0839 9.0863 9.0863 9.6668 9.6668 9.7353 9.7353 10.3211 10.3211 10.7065 10.7065 11.3414 11.3414 11.4284 11.4284 k = 0.0000 0.0000 0.0676 ( 3263 PWs) bands (ev): -54.3745 -54.3745 -54.3282 -54.3282 -28.8023 -28.8023 -28.7425 -28.7425 -28.0115 -28.0115 -27.9883 -27.9883 -27.9676 -27.9676 -27.7096 -27.7096 -1.3313 -1.3313 1.8091 1.8091 5.2989 5.2989 6.8278 6.8278 7.0458 7.0458 8.3902 8.3902 9.0929 9.0929 9.0952 9.0952 9.5887 9.5887 9.6842 9.6842 10.3645 10.3645 10.6983 10.6983 11.3609 11.3609 11.4761 11.4761 k = 0.0000 0.0000 0.0811 ( 3263 PWs) bands (ev): -54.3741 -54.3741 -54.3286 -54.3286 -28.8015 -28.8015 -28.7428 -28.7428 -28.0112 -28.0112 -27.9864 -27.9864 -27.9680 -27.9680 -27.7122 -27.7122 -1.3158 -1.3158 1.7495 1.7495 5.3750 5.3750 6.8416 6.8416 7.0587 7.0587 8.4068 8.4068 9.1038 9.1038 9.1062 9.1062 9.5079 9.5079 9.6262 9.6262 10.4015 10.4015 10.6867 10.6867 11.3860 11.3860 11.5318 11.5318 k = 0.0000 0.0000 0.0946 ( 3263 PWs) bands (ev): -54.3737 -54.3737 -54.3290 -54.3290 -28.8005 -28.8005 -28.7431 -28.7431 -28.0107 -28.0107 -27.9841 -27.9841 -27.9684 -27.9684 -27.7153 -27.7153 -1.2975 -1.2975 1.6825 1.6825 5.4614 5.4614 6.8581 6.8581 7.0740 7.0740 8.4261 8.4261 9.1166 9.1166 9.1191 9.1191 9.4253 9.4253 9.5628 9.5628 10.4307 10.4307 10.6716 10.6716 11.4165 11.4165 11.5942 11.5942 k = 0.0000 0.0000 0.1081 ( 3245 PWs) bands (ev): -54.3732 -54.3732 -54.3295 -54.3295 -28.7995 -28.7995 -28.7434 -28.7434 -28.0102 -28.0102 -27.9815 -27.9815 -27.9689 -27.9689 -27.7188 -27.7188 -1.2764 -1.2764 1.6092 1.6092 5.5568 5.5568 6.8771 6.8771 7.0916 7.0916 8.4480 8.4480 9.1315 9.1315 9.1339 9.1339 9.3417 9.3417 9.4952 9.4952 10.4515 10.4515 10.6529 10.6529 11.4520 11.4520 11.6621 11.6621 k = 0.0000 0.0000 0.1216 ( 3251 PWs) bands (ev): -54.3726 -54.3726 -54.3301 -54.3301 -28.7983 -28.7983 -28.7438 -28.7438 -28.0097 -28.0097 -27.9785 -27.9785 -27.9694 -27.9694 -27.7227 -27.7227 -1.2525 -1.2525 1.5308 1.5308 5.6600 5.6600 6.8987 6.8987 7.1115 7.1115 8.4721 8.4721 9.1481 9.1481 9.1507 9.1507 9.2576 9.2576 9.4244 9.4244 10.4636 10.4636 10.6309 10.6309 11.4907 11.4907 11.7345 11.7345 k = 0.0000 0.0000 0.1352 ( 3251 PWs) bands (ev): -54.3720 -54.3720 -54.3308 -54.3308 -28.7970 -28.7970 -28.7442 -28.7442 -28.0091 -28.0091 -27.9752 -27.9752 -27.9700 -27.9700 -27.7271 -27.7271 -1.2259 -1.2259 1.4482 1.4482 5.7699 5.7699 6.9231 6.9231 7.1337 7.1337 8.4983 8.4983 9.1664 9.1664 9.1693 9.1693 9.1734 9.1734 9.3513 9.3513 10.4675 10.4675 10.6057 10.6057 11.5294 11.5294 11.8104 11.8104 k = 0.0000 0.0000 0.1487 ( 3251 PWs) bands (ev): -54.3713 -54.3713 -54.3315 -54.3315 -28.7956 -28.7956 -28.7447 -28.7447 -28.0084 -28.0084 -27.9716 -27.9716 -27.9707 -27.9707 -27.7318 -27.7318 -1.1964 -1.1964 1.3622 1.3622 5.8855 5.8855 6.9501 6.9501 7.1583 7.1583 8.5260 8.5260 9.0894 9.0894 9.1861 9.1861 9.1898 9.1898 9.2770 9.2770 10.4638 10.4638 10.5775 10.5775 11.5615 11.5615 11.8890 11.8890 k = 0.0000 0.0000 0.1622 ( 3251 PWs) bands (ev): -54.3705 -54.3705 -54.3322 -54.3322 -28.7942 -28.7942 -28.7453 -28.7453 -28.0077 -28.0077 -27.9714 -27.9714 -27.9676 -27.9676 -27.7369 -27.7369 -1.1643 -1.1643 1.2737 1.2737 6.0058 6.0058 6.9801 6.9801 7.1850 7.1850 8.5547 8.5547 9.0060 9.0060 9.1916 9.1916 9.2121 9.2121 9.2176 9.2176 10.4533 10.4533 10.5467 10.5467 11.5752 11.5752 11.9516 11.9697 k = 0.0000 0.0000 0.1757 ( 3251 PWs) bands (ev): -54.3697 -54.3697 -54.3330 -54.3330 -28.7926 -28.7926 -28.7459 -28.7459 -28.0069 -28.0069 -27.9722 -27.9722 -27.9633 -27.9633 -27.7424 -27.7424 -1.1294 -1.1294 1.1833 1.1833 6.1298 6.1298 7.0130 7.0130 7.2141 7.2141 8.5836 8.5836 8.9240 8.9240 9.1210 9.1210 9.2353 9.2353 9.2362 9.2362 10.4367 10.4367 10.5135 10.5135 11.5544 11.5544 11.8655 11.8656 k = 0.0000 0.0000 0.1892 ( 3251 PWs) bands (ev): -54.3689 -54.3689 -54.3339 -54.3339 -28.7910 -28.7910 -28.7465 -28.7465 -28.0061 -28.0061 -27.9730 -27.9730 -27.9587 -27.9587 -27.7482 -27.7482 -1.0918 -1.0918 1.0916 1.0916 6.2566 6.2566 7.0492 7.0492 7.2454 7.2454 8.6108 8.6108 8.8446 8.8446 9.0441 9.0441 9.2606 9.2606 9.2620 9.2620 10.4150 10.4150 10.4781 10.4781 11.4943 11.4943 11.7787 11.7787 k = 0.0000 0.0000 0.2027 ( 3251 PWs) bands (ev): -54.3679 -54.3679 -54.3349 -54.3349 -28.7893 -28.7893 -28.7473 -28.7473 -28.0052 -28.0052 -27.9739 -27.9739 -27.9538 -27.9538 -27.7543 -27.7543 -1.0515 -1.0515 0.9990 0.9990 6.3852 6.3852 7.0890 7.0890 7.2789 7.2789 8.6305 8.6305 8.7732 8.7732 8.9668 8.9668 9.2879 9.2879 9.2895 9.2895 10.3889 10.3889 10.4407 10.4407 11.4072 11.4072 11.6914 11.6914 k = 0.0000 0.0000 0.2163 ( 3239 PWs) bands (ev): -54.3669 -54.3669 -54.3358 -54.3358 -28.7875 -28.7875 -28.7480 -28.7480 -28.0043 -28.0043 -27.9748 -27.9748 -27.9486 -27.9486 -27.7607 -27.7607 -1.0085 -1.0085 0.9061 0.9061 6.5145 6.5145 7.1330 7.1330 7.3146 7.3146 8.6206 8.6206 8.7312 8.7312 8.8895 8.8895 9.3171 9.3171 9.3187 9.3187 10.3590 10.3590 10.4015 10.4015 11.3067 11.3067 11.6036 11.6036 k = 0.0000 0.0000 0.2298 ( 3239 PWs) bands (ev): -54.3659 -54.3659 -54.3368 -54.3368 -28.7857 -28.7857 -28.7489 -28.7489 -28.0034 -28.0034 -27.9758 -27.9758 -27.9431 -27.9431 -27.7674 -27.7674 -0.9629 -0.9629 0.8131 0.8131 6.6430 6.6430 7.1818 7.1818 7.3524 7.3524 8.5644 8.5644 8.7343 8.7343 8.8125 8.8125 9.3478 9.3478 9.3495 9.3495 10.3260 10.3260 10.3608 10.3608 11.2014 11.2014 11.5159 11.5159 k = 0.0000 0.0000 0.2433 ( 3245 PWs) bands (ev): -54.3649 -54.3649 -54.3379 -54.3379 -28.7839 -28.7839 -28.7498 -28.7498 -28.0024 -28.0024 -27.9768 -27.9768 -27.9373 -27.9373 -27.7744 -27.7744 -0.9146 -0.9146 0.7205 0.7205 6.7689 6.7689 7.2370 7.2370 7.3924 7.3924 8.4915 8.4915 8.7360 8.7360 8.7517 8.7517 9.3802 9.3802 9.3818 9.3818 10.2902 10.2902 10.3188 10.3188 11.0962 11.0962 11.4285 11.4285 k = 0.0000 0.0000 0.2568 ( 3245 PWs) bands (ev): -54.3638 -54.3638 -54.3390 -54.3390 -28.7820 -28.7820 -28.7508 -28.7508 -28.0013 -28.0013 -27.9778 -27.9778 -27.9313 -27.9313 -27.7815 -27.7815 -0.8638 -0.8638 0.6284 0.6284 6.8898 6.8898 7.3002 7.3002 7.4346 7.4346 8.4152 8.4152 8.6602 8.6602 8.7689 8.7689 9.4141 9.4141 9.4157 9.4157 10.2523 10.2523 10.2757 10.2757 10.9946 10.9946 11.3417 11.3417 k = 0.0000 0.0000 0.2703 ( 3257 PWs) bands (ev): -54.3627 -54.3627 -54.3402 -54.3402 -28.7801 -28.7801 -28.7518 -28.7518 -28.0003 -28.0003 -27.9789 -27.9789 -27.9250 -27.9250 -27.7889 -27.7889 -0.8103 -0.8103 0.5371 0.5371 7.0028 7.0028 7.3739 7.3739 7.4788 7.4788 8.3385 8.3385 8.5853 8.5853 8.7811 8.7811 9.4494 9.4494 9.4509 9.4509 10.2126 10.2126 10.2315 10.2315 10.8994 10.8994 11.2560 11.2560 k = 0.0000 0.0000 0.2838 ( 3256 PWs) bands (ev): -54.3615 -54.3615 -54.3413 -54.3413 -28.7783 -28.7783 -28.7529 -28.7529 -27.9992 -27.9992 -27.9800 -27.9800 -27.9184 -27.9184 -27.7964 -27.7964 -0.7544 -0.7544 0.4469 0.4469 7.1052 7.1052 7.4602 7.4602 7.5251 7.5251 8.2622 8.2622 8.5113 8.5113 8.7856 8.7856 9.4861 9.4861 9.4875 9.4875 10.1713 10.1713 10.1867 10.1867 10.8132 10.8132 11.1719 11.1719 k = 0.0000 0.0000 0.2973 ( 3262 PWs) bands (ev): -54.3603 -54.3603 -54.3425 -54.3425 -28.7764 -28.7764 -28.7540 -28.7540 -27.9980 -27.9980 -27.9812 -27.9812 -27.9117 -27.9117 -27.8040 -27.8040 -0.6959 -0.6959 0.3578 0.3578 7.1962 7.1962 7.5592 7.5592 7.5734 7.5734 8.1867 8.1867 8.4383 8.4383 8.7801 8.7801 9.5240 9.5240 9.5254 9.5254 10.1289 10.1289 10.1412 10.1412 10.7385 10.7385 11.0899 11.0899 k = 0.0000 0.0000 0.3109 ( 3256 PWs) bands (ev): -54.3591 -54.3591 -54.3437 -54.3437 -28.7745 -28.7745 -28.7553 -28.7553 -27.9969 -27.9969 -27.9823 -27.9823 -27.9047 -27.9047 -27.8118 -27.8118 -0.6350 -0.6350 0.2702 0.2702 7.2772 7.2772 7.6237 7.6237 7.6689 7.6689 8.1122 8.1122 8.3666 8.3666 8.7624 8.7624 9.5633 9.5633 9.5644 9.5644 10.0856 10.0856 10.0953 10.0953 10.6775 10.6775 11.0107 11.0107 k = 0.0000 0.0000 0.3244 ( 3256 PWs) bands (ev): -54.3578 -54.3578 -54.3450 -54.3450 -28.7727 -28.7727 -28.7566 -28.7566 -27.9957 -27.9957 -27.9835 -27.9835 -27.8975 -27.8975 -27.8197 -27.8197 -0.5716 -0.5716 0.1840 0.1840 7.3512 7.3512 7.6760 7.6760 7.7854 7.7854 8.0388 8.0388 8.2960 8.2960 8.7309 8.7309 9.6037 9.6037 9.6046 9.6046 10.0417 10.0417 10.0492 10.0492 10.6319 10.6319 10.9349 10.9349 k = 0.0000 0.0000 0.3379 ( 3256 PWs) bands (ev): -54.3566 -54.3566 -54.3463 -54.3463 -28.7709 -28.7709 -28.7579 -28.7579 -27.9945 -27.9945 -27.9847 -27.9847 -27.8901 -27.8901 -27.8276 -27.8276 -0.5058 -0.5058 0.0995 0.0995 7.4210 7.4210 7.7301 7.7301 7.9053 7.9053 7.9665 7.9665 8.2269 8.2269 8.6847 8.6847 9.6451 9.6451 9.6458 9.6458 9.9972 9.9972 10.0029 10.0029 10.6028 10.6028 10.8635 10.8635 k = 0.0000 0.0000 0.3514 ( 3256 PWs) bands (ev): -54.3553 -54.3553 -54.3475 -54.3475 -28.7691 -28.7691 -28.7594 -28.7594 -27.9933 -27.9933 -27.9859 -27.9859 -27.8826 -27.8826 -27.8355 -27.8355 -0.4377 -0.4377 0.0168 0.0168 7.4886 7.4886 7.7862 7.7862 7.8955 7.8955 8.0254 8.0254 8.1591 8.1591 8.6238 8.6238 9.6875 9.6875 9.6879 9.6879 9.9525 9.9525 9.9567 9.9567 10.5904 10.5904 10.7973 10.7973 k = 0.0000 0.0000 0.3649 ( 3250 PWs) bands (ev): -54.3540 -54.3540 -54.3488 -54.3488 -28.7673 -28.7673 -28.7608 -28.7608 -27.9921 -27.9921 -27.9871 -27.9871 -27.8750 -27.8750 -27.8435 -27.8435 -0.3674 -0.3674 -0.0641 -0.0641 7.5552 7.5552 7.8255 7.8255 7.8441 7.8441 8.0929 8.0929 8.1432 8.1432 8.5489 8.5489 9.7308 9.7308 9.7308 9.7308 9.9077 9.9077 9.9107 9.9107 10.5940 10.5940 10.7376 10.7376 k = 0.0000 0.0000 0.3784 ( 3250 PWs) bands (ev): -54.3527 -54.3527 -54.3501 -54.3501 -28.7656 -28.7656 -28.7624 -28.7624 -27.9908 -27.9908 -27.9884 -27.9884 -27.8672 -27.8672 -27.8515 -27.8515 -0.2947 -0.2947 -0.1430 -0.1430 7.6218 7.6218 7.7567 7.7567 7.9037 7.9037 8.0282 8.0282 8.2565 8.2565 8.4614 8.4614 9.7743 9.7743 9.7749 9.7749 9.8630 9.8630 9.8649 9.8649 10.6122 10.6122 10.6858 10.6858 k = 0.0000 0.0000 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2199 -0.2199 -0.2199 -0.2199 7.6889 7.6889 7.6889 7.6889 7.9651 7.9651 7.9651 7.9651 8.3633 8.3633 8.3633 8.3633 9.8185 9.8185 9.8185 9.8185 9.8196 9.8196 9.8196 9.8196 10.6435 10.6435 10.6435 10.6435 k = 0.0000 0.0000 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2199 -0.2199 -0.2199 -0.2199 7.6889 7.6889 7.6889 7.6889 7.9651 7.9651 7.9651 7.9651 8.3633 8.3633 8.3633 8.3633 9.8185 9.8185 9.8185 9.8185 9.8196 9.8196 9.8196 9.8196 10.6435 10.6435 10.6435 10.6435 k = 0.0116 0.0067 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2189 -0.2189 -0.2189 -0.2189 7.6835 7.6835 7.6835 7.6835 7.9593 7.9593 7.9593 7.9593 8.3709 8.3709 8.3709 8.3709 9.8180 9.8180 9.8180 9.8180 9.8199 9.8199 9.8199 9.8199 10.6467 10.6467 10.6467 10.6467 k = 0.0233 0.0134 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2157 -0.2157 -0.2157 -0.2157 7.6668 7.6668 7.6668 7.6668 7.9441 7.9441 7.9441 7.9441 8.3919 8.3919 8.3919 8.3919 9.8167 9.8167 9.8167 9.8167 9.8206 9.8206 9.8206 9.8206 10.6562 10.6562 10.6562 10.6562 k = 0.0349 0.0201 0.3920 ( 3254 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2105 -0.2105 -0.2105 -0.2105 7.6380 7.6380 7.6380 7.6380 7.9248 7.9248 7.9248 7.9248 8.4220 8.4220 8.4220 8.4220 9.8145 9.8145 9.8145 9.8145 9.8217 9.8217 9.8217 9.8217 10.6720 10.6720 10.6720 10.6720 k = 0.0465 0.0269 0.3920 ( 3254 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9897 -27.9897 -27.9897 -27.9897 -27.8594 -27.8594 -27.8594 -27.8594 -0.2032 -0.2032 -0.2032 -0.2032 7.5968 7.5968 7.5968 7.5968 7.9060 7.9060 7.9060 7.9060 8.4571 8.4571 8.4571 8.4571 9.8114 9.8114 9.8114 9.8114 9.8233 9.8233 9.8233 9.8233 10.6939 10.6939 10.6939 10.6939 k = 0.0581 0.0336 0.3920 ( 3258 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9897 -27.9897 -27.9897 -27.9897 -27.8594 -27.8594 -27.8594 -27.8594 -0.1938 -0.1938 -0.1938 -0.1938 7.5442 7.5442 7.5442 7.5442 7.8898 7.8898 7.8898 7.8898 8.4942 8.4942 8.4942 8.4942 9.8076 9.8076 9.8076 9.8076 9.8254 9.8254 9.8254 9.8254 10.7215 10.7215 10.7215 10.7215 k = 0.0698 0.0403 0.3920 ( 3258 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9898 -27.9898 -27.9898 -27.9898 -27.8594 -27.8594 -27.8594 -27.8594 -0.1824 -0.1824 -0.1824 -0.1824 7.4820 7.4820 7.4820 7.4820 7.8766 7.8766 7.8766 7.8766 8.5312 8.5312 8.5312 8.5312 9.8029 9.8029 9.8029 9.8029 9.8280 9.8280 9.8280 9.8280 10.7545 10.7545 10.7545 10.7545 k = 0.0814 0.0470 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9899 -27.9899 -27.9899 -27.9899 -27.8594 -27.8594 -27.8594 -27.8594 -0.1690 -0.1690 -0.1690 -0.1690 7.4124 7.4124 7.4124 7.4124 7.8659 7.8659 7.8659 7.8659 8.5669 8.5669 8.5669 8.5669 9.7974 9.7974 9.7974 9.7974 9.8311 9.8311 9.8311 9.8311 10.7924 10.7924 10.7924 10.7924 k = 0.0930 0.0537 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7642 -28.7642 -28.7642 -28.7642 -27.9899 -27.9899 -27.9899 -27.9899 -27.8594 -27.8594 -27.8594 -27.8594 -0.1536 -0.1536 -0.1536 -0.1536 7.3372 7.3372 7.3372 7.3372 7.8568 7.8568 7.8568 7.8568 8.6006 8.6006 8.6006 8.6006 9.7913 9.7913 9.7913 9.7913 9.8348 9.8348 9.8348 9.8348 10.8347 10.8347 10.8347 10.8347 k = 0.1047 0.0604 0.3920 ( 3246 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7642 -28.7642 -28.7642 -28.7642 -27.9900 -27.9900 -27.9900 -27.9900 -27.8594 -27.8594 -27.8594 -27.8594 -0.1362 -0.1362 -0.1362 -0.1362 7.2577 7.2577 7.2577 7.2577 7.8489 7.8489 7.8489 7.8489 8.6319 8.6319 8.6319 8.6319 9.7845 9.7845 9.7845 9.7845 9.8391 9.8391 9.8391 9.8391 10.8808 10.8808 10.8808 10.8808 k = 0.1163 0.0671 0.3920 ( 3244 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7643 -28.7643 -28.7643 -28.7643 -27.9901 -27.9901 -27.9901 -27.9901 -27.8594 -27.8594 -27.8594 -27.8594 -0.1170 -0.1170 -0.1170 -0.1170 7.1749 7.1749 7.1749 7.1749 7.8417 7.8417 7.8417 7.8417 8.6604 8.6604 8.6604 8.6604 9.7773 9.7773 9.7773 9.7773 9.8439 9.8439 9.8439 9.8439 10.9298 10.9298 10.9298 10.9298 k = 0.1279 0.0738 0.3920 ( 3244 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7644 -28.7644 -28.7644 -28.7644 -27.9902 -27.9902 -27.9902 -27.9902 -27.8594 -27.8594 -27.8594 -27.8594 -0.0959 -0.0959 -0.0959 -0.0959 7.0898 7.0898 7.0898 7.0898 7.8348 7.8348 7.8348 7.8348 8.6860 8.6860 8.6860 8.6860 9.7696 9.7696 9.7696 9.7696 9.8494 9.8494 9.8494 9.8494 10.9809 10.9809 10.9809 10.9809 k = 0.1395 0.0806 0.3920 ( 3248 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7644 -28.7644 -28.7644 -28.7644 -27.9903 -27.9903 -27.9903 -27.9903 -27.8594 -27.8594 -27.8594 -27.8594 -0.0731 -0.0731 -0.0731 -0.0731 7.0029 7.0029 7.0029 7.0029 7.8281 7.8281 7.8281 7.8281 8.7086 8.7086 8.7086 8.7086 9.7617 9.7617 9.7617 9.7617 9.8555 9.8555 9.8555 9.8555 11.0331 11.0331 11.0331 11.0331 k = 0.1512 0.0873 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7645 -28.7645 -28.7645 -28.7645 -27.9904 -27.9904 -27.9904 -27.9904 -27.8594 -27.8594 -27.8594 -27.8594 -0.0485 -0.0485 -0.0485 -0.0485 6.9147 6.9147 6.9147 6.9147 7.8215 7.8215 7.8215 7.8215 8.7282 8.7282 8.7282 8.7282 9.7538 9.7538 9.7538 9.7538 9.8623 9.8623 9.8623 9.8623 11.0850 11.0850 11.0850 11.0850 k = 0.1628 0.0940 0.3920 ( 3248 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7646 -28.7646 -28.7646 -28.7646 -27.9906 -27.9906 -27.9906 -27.9906 -27.8594 -27.8594 -27.8594 -27.8594 -0.0222 -0.0222 -0.0222 -0.0222 6.8255 6.8255 6.8255 6.8255 7.8148 7.8148 7.8148 7.8148 8.7448 8.7448 8.7448 8.7448 9.7460 9.7460 9.7460 9.7460 9.8698 9.8698 9.8698 9.8698 11.1350 11.1350 11.1350 11.1350 k = 0.1744 0.1007 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7646 -28.7646 -28.7646 -28.7646 -27.9907 -27.9907 -27.9907 -27.9907 -27.8594 -27.8594 -27.8594 -27.8594 0.0056 0.0056 0.0056 0.0056 6.7359 6.7359 6.7359 6.7359 7.8081 7.8081 7.8081 7.8081 8.7583 8.7583 8.7583 8.7583 9.7385 9.7385 9.7385 9.7385 9.8780 9.8780 9.8780 9.8780 11.1811 11.1811 11.1811 11.1811 k = 0.1860 0.1074 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7647 -28.7647 -28.7647 -28.7647 -27.9908 -27.9908 -27.9908 -27.9908 -27.8594 -27.8594 -27.8594 -27.8594 0.0349 0.0349 0.0349 0.0349 6.6460 6.6460 6.6460 6.6460 7.8012 7.8012 7.8012 7.8012 8.7689 8.7689 8.7689 8.7689 9.7316 9.7316 9.7316 9.7316 9.8868 9.8868 9.8868 9.8868 11.2206 11.2206 11.2206 11.2206 k = 0.1977 0.1141 0.3920 ( 3248 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7648 -28.7648 -28.7648 -28.7648 -27.9910 -27.9910 -27.9910 -27.9910 -27.8594 -27.8594 -27.8594 -27.8594 0.0656 0.0656 0.0656 0.0656 6.5561 6.5561 6.5561 6.5561 7.7941 7.7941 7.7941 7.7941 8.7766 8.7766 8.7766 8.7766 9.7254 9.7254 9.7254 9.7254 9.8964 9.8964 9.8964 9.8964 11.2504 11.2504 11.2504 11.2504 k = 0.2093 0.1208 0.3920 ( 3252 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7649 -28.7649 -28.7649 -28.7649 -27.9911 -27.9911 -27.9911 -27.9911 -27.8594 -27.8594 -27.8594 -27.8594 0.0976 0.0976 0.0976 0.0976 6.4665 6.4665 6.4665 6.4665 7.7870 7.7870 7.7870 7.7870 8.7813 8.7813 8.7813 8.7813 9.7202 9.7202 9.7202 9.7202 9.9067 9.9067 9.9067 9.9067 11.2670 11.2670 11.2670 11.2670 k = 0.2209 0.1276 0.3920 ( 3248 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7650 -28.7650 -28.7650 -28.7650 -27.9913 -27.9913 -27.9913 -27.9913 -27.8594 -27.8594 -27.8594 -27.8594 0.1308 0.1308 0.1308 0.1308 6.3775 6.3775 6.3775 6.3775 7.7797 7.7797 7.7797 7.7797 8.7831 8.7831 8.7831 8.7831 9.7162 9.7162 9.7162 9.7162 9.9177 9.9177 9.9177 9.9177 11.2681 11.2681 11.2681 11.2681 k = 0.2326 0.1343 0.3920 ( 3252 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7650 -28.7650 -28.7650 -28.7650 -27.9914 -27.9914 -27.9914 -27.9914 -27.8594 -27.8594 -27.8594 -27.8594 0.1651 0.1651 0.1651 0.1651 6.2891 6.2891 6.2891 6.2891 7.7723 7.7723 7.7723 7.7723 8.7822 8.7822 8.7822 8.7822 9.7135 9.7135 9.7135 9.7135 9.9294 9.9294 9.9294 9.9294 11.2529 11.2529 11.2529 11.2529 k = 0.2442 0.1410 0.3920 ( 3256 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7651 -28.7651 -28.7651 -28.7651 -27.9915 -27.9915 -27.9915 -27.9915 -27.8594 -27.8594 -27.8594 -27.8594 0.2002 0.2002 0.2002 0.2002 6.2017 6.2017 6.2017 6.2017 7.7649 7.7649 7.7649 7.7649 8.7785 8.7785 8.7785 8.7785 9.7124 9.7124 9.7124 9.7124 9.9417 9.9417 9.9417 9.9417 11.2234 11.2234 11.2234 11.2234 k = 0.2558 0.1477 0.3920 ( 3260 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7652 -28.7652 -28.7652 -28.7652 -27.9917 -27.9917 -27.9917 -27.9917 -27.8594 -27.8594 -27.8594 -27.8594 0.2362 0.2362 0.2362 0.2362 6.1156 6.1156 6.1156 6.1156 7.7573 7.7573 7.7573 7.7573 8.7723 8.7723 8.7723 8.7723 9.7130 9.7130 9.7130 9.7130 9.9547 9.9547 9.9547 9.9547 11.1827 11.1827 11.1827 11.1827 k = 0.2674 0.1544 0.3920 ( 3258 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7653 -28.7653 -28.7653 -28.7653 -27.9918 -27.9918 -27.9918 -27.9918 -27.8594 -27.8594 -27.8594 -27.8594 0.2728 0.2728 0.2728 0.2728 6.0308 6.0308 6.0308 6.0308 7.7498 7.7498 7.7498 7.7498 8.7638 8.7638 8.7638 8.7638 9.7153 9.7153 9.7153 9.7153 9.9682 9.9682 9.9682 9.9682 11.1342 11.1342 11.1342 11.1342 k = 0.2791 0.1611 0.3920 ( 3254 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7654 -28.7654 -28.7654 -28.7654 -27.9920 -27.9920 -27.9920 -27.9920 -27.8594 -27.8594 -27.8594 -27.8594 0.3098 0.3098 0.3098 0.3098 5.9476 5.9476 5.9476 5.9476 7.7423 7.7423 7.7423 7.7423 8.7530 8.7530 8.7530 8.7530 9.7194 9.7194 9.7194 9.7194 9.9823 9.9823 9.9823 9.9823 11.0810 11.0810 11.0810 11.0810 k = 0.2907 0.1678 0.3920 ( 3254 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7655 -28.7655 -28.7655 -28.7655 -27.9921 -27.9921 -27.9921 -27.9921 -27.8594 -27.8594 -27.8594 -27.8594 0.3471 0.3471 0.3471 0.3471 5.8663 5.8663 5.8663 5.8663 7.7348 7.7348 7.7348 7.7348 8.7403 8.7403 8.7403 8.7403 9.7254 9.7254 9.7254 9.7254 9.9968 9.9968 9.9968 9.9968 11.0251 11.0251 11.0251 11.0251 k = 0.3023 0.1745 0.3920 ( 3248 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7656 -28.7656 -28.7656 -28.7656 -27.9923 -27.9923 -27.9923 -27.9923 -27.8594 -27.8594 -27.8594 -27.8594 0.3845 0.3845 0.3845 0.3845 5.7871 5.7871 5.7871 5.7871 7.7274 7.7274 7.7274 7.7274 8.7260 8.7260 8.7260 8.7260 9.7333 9.7333 9.7333 9.7333 10.0116 10.0116 10.0116 10.0116 10.9680 10.9680 10.9680 10.9680 k = 0.3140 0.1813 0.3920 ( 3244 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7656 -28.7656 -28.7656 -28.7656 -27.9924 -27.9924 -27.9924 -27.9924 -27.8594 -27.8594 -27.8594 -27.8594 0.4218 0.4218 0.4218 0.4218 5.7102 5.7102 5.7102 5.7102 7.7201 7.7201 7.7201 7.7201 8.7103 8.7103 8.7103 8.7103 9.7429 9.7429 9.7429 9.7429 10.0268 10.0268 10.0268 10.0268 10.9109 10.9109 10.9109 10.9109 k = 0.3256 0.1880 0.3920 ( 3250 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7657 -28.7657 -28.7657 -28.7657 -27.9925 -27.9925 -27.9925 -27.9925 -27.8594 -27.8594 -27.8594 -27.8594 0.4587 0.4587 0.4587 0.4587 5.6359 5.6359 5.6359 5.6359 7.7130 7.7130 7.7130 7.7130 8.6936 8.6936 8.6936 8.6936 9.7543 9.7543 9.7543 9.7543 10.0421 10.0421 10.0421 10.0421 10.8545 10.8545 10.8545 10.8545 k = 0.3372 0.1947 0.3920 ( 3256 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7658 -28.7658 -28.7658 -28.7658 -27.9927 -27.9927 -27.9927 -27.9927 -27.8594 -27.8594 -27.8594 -27.8594 0.4950 0.4950 0.4950 0.4950 5.5644 5.5644 5.5644 5.5644 7.7062 7.7062 7.7062 7.7062 8.6762 8.6762 8.6762 8.6762 9.7673 9.7673 9.7673 9.7673 10.0574 10.0574 10.0574 10.0574 10.7992 10.7992 10.7992 10.7992 k = 0.3488 0.2014 0.3920 ( 3256 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7659 -28.7659 -28.7659 -28.7659 -27.9928 -27.9928 -27.9928 -27.9928 -27.8594 -27.8594 -27.8594 -27.8594 0.5305 0.5305 0.5305 0.5305 5.4961 5.4961 5.4961 5.4961 7.6995 7.6995 7.6995 7.6995 8.6585 8.6585 8.6585 8.6585 9.7819 9.7819 9.7819 9.7819 10.0728 10.0728 10.0728 10.0728 10.7453 10.7453 10.7453 10.7453 k = 0.3605 0.2081 0.3920 ( 3248 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7659 -28.7659 -28.7659 -28.7659 -27.9929 -27.9929 -27.9929 -27.9929 -27.8594 -27.8594 -27.8594 -27.8594 0.5649 0.5649 0.5649 0.5649 5.4312 5.4312 5.4312 5.4312 7.6932 7.6932 7.6932 7.6932 8.6406 8.6406 8.6406 8.6406 9.7979 9.7979 9.7979 9.7979 10.0879 10.0879 10.0879 10.0879 10.6932 10.6932 10.6932 10.6932 k = 0.3721 0.2148 0.3920 ( 3254 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7660 -28.7660 -28.7660 -28.7660 -27.9930 -27.9930 -27.9930 -27.9930 -27.8594 -27.8594 -27.8594 -27.8594 0.5980 0.5980 0.5980 0.5980 5.3700 5.3700 5.3700 5.3700 7.6872 7.6872 7.6872 7.6872 8.6230 8.6230 8.6230 8.6230 9.8153 9.8153 9.8153 9.8153 10.1027 10.1027 10.1027 10.1027 10.6429 10.6429 10.6429 10.6429 k = 0.3837 0.2215 0.3920 ( 3262 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7661 -28.7661 -28.7661 -28.7661 -27.9931 -27.9931 -27.9931 -27.9931 -27.8594 -27.8594 -27.8594 -27.8594 0.6294 0.6294 0.6294 0.6294 5.3128 5.3128 5.3128 5.3128 7.6816 7.6816 7.6816 7.6816 8.6060 8.6060 8.6060 8.6060 9.8339 9.8339 9.8339 9.8339 10.1170 10.1170 10.1170 10.1170 10.5946 10.5946 10.5946 10.5946 k = 0.3953 0.2283 0.3920 ( 3258 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7661 -28.7661 -28.7661 -28.7661 -27.9932 -27.9932 -27.9932 -27.9932 -27.8594 -27.8594 -27.8594 -27.8594 0.6589 0.6589 0.6589 0.6589 5.2599 5.2599 5.2599 5.2599 7.6764 7.6764 7.6764 7.6764 8.5897 8.5897 8.5897 8.5897 9.8535 9.8535 9.8535 9.8535 10.1306 10.1306 10.1306 10.1306 10.5485 10.5485 10.5485 10.5485 k = 0.4070 0.2350 0.3920 ( 3258 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7662 -28.7662 -28.7662 -28.7662 -27.9933 -27.9933 -27.9933 -27.9933 -27.8594 -27.8594 -27.8594 -27.8594 0.6863 0.6863 0.6863 0.6863 5.2115 5.2115 5.2115 5.2115 7.6716 7.6716 7.6716 7.6716 8.5745 8.5745 8.5745 8.5745 9.8740 9.8740 9.8740 9.8740 10.1434 10.1434 10.1434 10.1434 10.5045 10.5045 10.5045 10.5045 k = 0.4186 0.2417 0.3920 ( 3258 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7662 -28.7662 -28.7662 -28.7662 -27.9934 -27.9934 -27.9934 -27.9934 -27.8594 -27.8594 -27.8594 -27.8594 0.7112 0.7112 0.7112 0.7112 5.1681 5.1681 5.1681 5.1681 7.6674 7.6674 7.6674 7.6674 8.5606 8.5606 8.5606 8.5606 9.8950 9.8950 9.8950 9.8950 10.1552 10.1552 10.1552 10.1552 10.4630 10.4630 10.4630 10.4630 k = 0.4302 0.2484 0.3920 ( 3254 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7663 -28.7663 -27.9934 -27.9934 -27.9934 -27.9934 -27.8594 -27.8594 -27.8594 -27.8594 0.7334 0.7334 0.7334 0.7334 5.1298 5.1298 5.1298 5.1298 7.6636 7.6636 7.6636 7.6636 8.5481 8.5481 8.5481 8.5481 9.9163 9.9163 9.9163 9.9163 10.1658 10.1658 10.1658 10.1658 10.4242 10.4242 10.4242 10.4242 k = 0.4419 0.2551 0.3920 ( 3246 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7663 -28.7663 -27.9935 -27.9935 -27.9935 -27.9935 -27.8594 -27.8594 -27.8594 -27.8594 0.7527 0.7527 0.7527 0.7527 5.0969 5.0969 5.0969 5.0969 7.6603 7.6603 7.6603 7.6603 8.5373 8.5373 8.5373 8.5373 9.9375 9.9375 9.9375 9.9375 10.1750 10.1750 10.1750 10.1750 10.3885 10.3885 10.3885 10.3885 k = 0.4535 0.2618 0.3920 ( 3246 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7663 -28.7663 -27.9935 -27.9935 -27.9935 -27.9935 -27.8594 -27.8594 -27.8594 -27.8594 0.7688 0.7688 0.7688 0.7688 5.0696 5.0696 5.0696 5.0696 7.6577 7.6577 7.6577 7.6577 8.5282 8.5282 8.5282 8.5282 9.9577 9.9577 9.9577 9.9577 10.1828 10.1828 10.1828 10.1828 10.3564 10.3564 10.3564 10.3564 k = 0.4651 0.2685 0.3920 ( 3246 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7663 -28.7663 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7815 0.7815 0.7815 0.7815 5.0482 5.0482 5.0482 5.0482 7.6556 7.6556 7.6556 7.6556 8.5210 8.5210 8.5210 8.5210 9.9762 9.9762 9.9762 9.9762 10.1888 10.1888 10.1888 10.1888 10.3290 10.3290 10.3290 10.3290 k = 0.4767 0.2752 0.3920 ( 3250 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7907 0.7907 0.7907 0.7907 5.0327 5.0327 5.0327 5.0327 7.6541 7.6541 7.6541 7.6541 8.5158 8.5158 8.5158 8.5158 9.9913 9.9913 9.9913 9.9913 10.1931 10.1931 10.1931 10.1931 10.3075 10.3075 10.3075 10.3075 k = 0.4884 0.2820 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7962 0.7962 0.7962 0.7962 5.0234 5.0234 5.0234 5.0234 7.6531 7.6531 7.6531 7.6531 8.5127 8.5127 8.5127 8.5127 10.0015 10.0015 10.0015 10.0015 10.1956 10.1956 10.1956 10.1956 10.2936 10.2936 10.2936 10.2936 k = 0.5000 0.2887 0.3920 ( 3268 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7981 0.7981 0.7981 0.7981 5.0203 5.0203 5.0203 5.0203 7.6528 7.6528 7.6528 7.6528 8.5116 8.5116 8.5116 8.5116 10.0052 10.0052 10.0052 10.0052 10.1964 10.1964 10.1964 10.1964 10.2888 10.2888 10.2888 10.2888 k = 0.5000 0.2887 0.3920 ( 3268 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7981 0.7981 0.7981 0.7981 5.0203 5.0203 5.0203 5.0203 7.6528 7.6528 7.6528 7.6528 8.5116 8.5116 8.5116 8.5116 10.0052 10.0052 10.0052 10.0052 10.1964 10.1964 10.1964 10.1964 10.2888 10.2888 10.2888 10.2888 k = 0.4933 0.3002 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7983 0.7983 0.7987 0.7987 5.0206 5.0206 5.0225 5.0225 7.6399 7.6399 7.6547 7.6547 8.5073 8.5073 8.5185 8.5185 10.0035 10.0035 10.0045 10.0045 10.1948 10.1948 10.2012 10.2012 10.2868 10.2868 10.2910 10.2910 k = 0.4867 0.3118 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7994 0.7994 0.8002 0.8002 5.0235 5.0235 5.0274 5.0274 7.6162 7.6162 7.6452 7.6452 8.5056 8.5056 8.5274 8.5274 9.9996 9.9996 10.0016 10.0016 10.1962 10.1962 10.2092 10.2092 10.2850 10.2850 10.2937 10.2937 k = 0.4800 0.3233 0.3920 ( 3268 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9937 -27.9937 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8014 0.8014 0.8025 0.8025 5.0289 5.0289 5.0348 5.0348 7.5826 7.5826 7.6249 7.6249 8.5064 8.5064 8.5377 8.5377 9.9941 9.9941 9.9967 9.9967 10.1995 10.1995 10.2191 10.2191 10.2840 10.2840 10.2976 10.2976 k = 0.4733 0.3349 0.3920 ( 3272 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9937 -27.9937 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8041 0.8041 0.8057 0.8057 5.0368 5.0368 5.0447 5.0447 7.5401 7.5401 7.5943 7.5943 8.5093 8.5093 8.5489 8.5489 9.9876 9.9876 9.9903 9.9903 10.2034 10.2034 10.2291 10.2291 10.2851 10.2851 10.3036 10.3036 k = 0.4667 0.3464 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9937 -27.9937 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8077 0.8077 0.8096 0.8096 5.0472 5.0472 5.0573 5.0573 7.4896 7.4896 7.5545 7.5545 8.5139 8.5139 8.5604 8.5604 9.9805 9.9805 9.9832 9.9832 10.2063 10.2063 10.2361 10.2361 10.2911 10.2911 10.3126 10.3126 k = 0.4600 0.3580 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9937 -27.9937 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8120 0.8120 0.8143 0.8143 5.0599 5.0599 5.0723 5.0723 7.4321 7.4321 7.5064 7.5064 8.5194 8.5194 8.5716 8.5716 9.9732 9.9732 9.9756 9.9756 10.2072 10.2072 10.2376 10.2376 10.3038 10.3038 10.3253 10.3253 k = 0.4533 0.3695 0.3920 ( 3276 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9938 -27.9938 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8170 0.8170 0.8197 0.8197 5.0749 5.0749 5.0899 5.0899 7.3686 7.3686 7.4514 7.4514 8.5254 8.5254 8.5821 8.5821 9.9660 9.9660 9.9681 9.9681 10.2057 10.2057 10.2345 10.2345 10.3222 10.3222 10.3416 10.3416 k = 0.4467 0.3811 0.3920 ( 3276 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9938 -27.9938 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8227 0.8227 0.8257 0.8257 5.0922 5.0922 5.1099 5.1099 7.3001 7.3001 7.3904 7.3904 8.5314 8.5314 8.5917 8.5917 9.9593 9.9593 9.9609 9.9609 10.2019 10.2019 10.2285 10.2285 10.3444 10.3444 10.3612 10.3612 k = 0.4400 0.3926 0.3920 ( 3274 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9938 -27.9938 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8290 0.8290 0.8324 0.8324 5.1116 5.1116 5.1323 5.1323 7.2274 7.2274 7.3247 7.3247 8.5371 8.5371 8.6001 8.6001 9.9531 9.9531 9.9543 9.9543 10.1963 10.1963 10.2207 10.2207 10.3690 10.3690 10.3836 10.3836 k = 0.4333 0.4041 0.3920 ( 3280 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9939 -27.9939 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8359 0.8359 0.8395 0.8395 5.1330 5.1330 5.1570 5.1570 7.1513 7.1513 7.2552 7.2552 8.5421 8.5421 8.6074 8.6074 9.9477 9.9477 9.9483 9.9483 10.1890 10.1890 10.2116 10.2116 10.3955 10.3955 10.4082 10.4082 k = 0.4267 0.4157 0.3920 ( 3284 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9939 -27.9939 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8432 0.8432 0.8471 0.8471 5.1562 5.1562 5.1840 5.1840 7.0728 7.0728 7.1829 7.1829 8.5465 8.5465 8.6134 8.6134 9.9432 9.9432 9.9433 9.9433 10.1805 10.1805 10.2016 10.2016 10.4233 10.4233 10.4346 10.4346 k = 0.4200 0.4272 0.3920 ( 3280 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9939 -27.9939 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8508 0.8508 0.8551 0.8551 5.1811 5.1811 5.2130 5.2130 6.9924 6.9924 7.1089 7.1089 8.5500 8.5500 8.6182 8.6182 9.9392 9.9392 9.9396 9.9396 10.1709 10.1709 10.1908 10.1908 10.4523 10.4523 10.4625 10.4625 k = 0.4133 0.4388 0.3920 ( 3280 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7664 -28.7664 -27.9940 -27.9940 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8588 0.8588 0.8634 0.8634 5.2074 5.2074 5.2441 5.2441 6.9110 6.9110 7.0340 7.0340 8.5527 8.5527 8.6219 8.6219 9.9362 9.9362 9.9371 9.9371 10.1605 10.1605 10.1795 10.1795 10.4823 10.4823 10.4916 10.4916 k = 0.4067 0.4503 0.3920 ( 3278 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7665 -28.7665 -27.9940 -27.9940 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8669 0.8669 0.8717 0.8717 5.2349 5.2349 5.2769 5.2769 6.8294 6.8294 6.9592 6.9592 8.5546 8.5546 8.6246 8.6246 9.9343 9.9343 9.9356 9.9356 10.1495 10.1495 10.1676 10.1676 10.5131 10.5131 10.5217 10.5217 k = 0.4000 0.4619 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7665 -28.7665 -27.9940 -27.9940 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8750 0.8750 0.8802 0.8802 5.2632 5.2632 5.3113 5.3113 6.7483 6.7483 6.8854 6.8854 8.5557 8.5557 8.6264 8.6264 9.9336 9.9336 9.9353 9.9353 10.1379 10.1379 10.1553 10.1553 10.5446 10.5446 10.5526 10.5526 k = 0.3933 0.4734 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7665 -28.7665 -27.9941 -27.9941 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8831 0.8831 0.8885 0.8885 5.2919 5.2919 5.3470 5.3470 6.6685 6.6685 6.8135 6.8135 8.5562 8.5562 8.6275 8.6275 9.9341 9.9341 9.9361 9.9361 10.1259 10.1259 10.1427 10.1427 10.5765 10.5765 10.5841 10.5841 k = 0.3867 0.4850 0.3920 ( 3262 PWs) bands (ev): -54.3510 -54.3510 -54.3510 -54.3510 -28.7666 -28.7666 -28.7665 -28.7665 -27.9941 -27.9941 -27.9939 -27.9939 -27.8594 -27.8594 -27.8594 -27.8594 0.8910 0.8910 0.8966 0.8966 5.3205 5.3205 5.3836 5.3836 6.5909 6.5909 6.7447 6.7447 8.5562 8.5562 8.6279 8.6279 9.9358 9.9358 9.9381 9.9381 10.1135 10.1135 10.1298 10.1298 10.6090 10.6090 10.6161 10.6161 k = 0.3800 0.4965 0.3920 ( 3266 PWs) bands (ev): -54.3510 -54.3510 -54.3510 -54.3510 -28.7667 -28.7667 -28.7665 -28.7665 -27.9941 -27.9941 -27.9939 -27.9939 -27.8594 -27.8594 -27.8594 -27.8594 0.8986 0.8986 0.9043 0.9043 5.3485 5.3485 5.4205 5.4205 6.5164 6.5164 6.6798 6.6798 8.5557 8.5557 8.6277 8.6277 9.9388 9.9388 9.9412 9.9412 10.1009 10.1009 10.1169 10.1169 10.6417 10.6417 10.6484 10.6484 k = 0.3733 0.5081 0.3920 ( 3274 PWs) bands (ev): -54.3511 -54.3511 -54.3510 -54.3510 -28.7667 -28.7667 -28.7665 -28.7665 -27.9942 -27.9942 -27.9939 -27.9939 -27.8594 -27.8594 -27.8594 -27.8594 0.9056 0.9056 0.9116 0.9116 5.3752 5.3752 5.4571 5.4571 6.4462 6.4462 6.6201 6.6201 8.5549 8.5549 8.6272 8.6272 9.9429 9.9429 9.9455 9.9455 10.0882 10.0882 10.1039 10.1039 10.6747 10.6747 10.6810 10.6810 k = 0.3667 0.5196 0.3920 ( 3282 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7665 -28.7665 -27.9942 -27.9942 -27.9939 -27.9939 -27.8595 -27.8595 -27.8594 -27.8594 0.9120 0.9120 0.9182 0.9182 5.3996 5.3996 5.4924 5.4924 6.3816 6.3816 6.5668 6.5668 8.5540 8.5540 8.6265 8.6265 9.9483 9.9483 9.9507 9.9507 10.0755 10.0755 10.0912 10.0912 10.7078 10.7078 10.7137 10.7137 k = 0.3600 0.5312 0.3920 ( 3286 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9176 0.9176 0.9239 0.9239 5.4211 5.4211 5.5252 5.5252 6.3243 6.3243 6.5211 6.5211 8.5529 8.5529 8.6257 8.6257 9.9547 9.9547 9.9569 9.9569 10.0629 10.0629 10.0787 10.0787 10.7409 10.7409 10.7462 10.7462 k = 0.3533 0.5427 0.3920 ( 3278 PWs) bands (ev): -54.3511 -54.3511 -54.3510 -54.3510 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9223 0.9223 0.9287 0.9287 5.4386 5.4386 5.5537 5.5537 6.2761 6.2761 6.4842 6.4842 8.5519 8.5519 8.6248 8.6248 9.9620 9.9620 9.9636 9.9636 10.0508 10.0508 10.0671 10.0671 10.7741 10.7741 10.7785 10.7785 k = 0.3467 0.5543 0.3920 ( 3272 PWs) bands (ev): -54.3510 -54.3510 -54.3510 -54.3510 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9258 0.9258 0.9323 0.9323 5.4515 5.4515 5.5760 5.5760 6.2395 6.2395 6.4572 6.4572 8.5511 8.5511 8.6241 8.6241 9.9696 9.9696 9.9702 9.9702 10.0397 10.0397 10.0569 10.0569 10.8071 10.8071 10.8097 10.8097 k = 0.3400 0.5658 0.3920 ( 3276 PWs) bands (ev): -54.3510 -54.3510 -54.3510 -54.3510 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9281 0.9281 0.9345 0.9345 5.4593 5.4593 5.5902 5.5902 6.2166 6.2166 6.4408 6.4408 8.5505 8.5505 8.6236 8.6236 9.9756 9.9756 9.9762 9.9762 10.0309 10.0309 10.0493 10.0493 10.8380 10.8380 10.8397 10.8397 k = 0.3333 0.5774 0.3920 ( 3288 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9288 0.9288 0.9353 0.9353 5.4618 5.4618 5.5950 5.5950 6.2088 6.2088 6.4354 6.4354 8.5503 8.5503 8.6234 8.6234 9.9778 9.9778 9.9792 9.9792 10.0272 10.0272 10.0464 10.0464 10.8528 10.8528 10.8653 10.8654 k = 0.3333 0.5774 0.3920 ( 3288 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9288 0.9288 0.9353 0.9353 5.4618 5.4618 5.5950 5.5950 6.2088 6.2088 6.4354 6.4354 8.5503 8.5503 8.6234 8.6234 9.9778 9.9778 9.9792 9.9792 10.0272 10.0272 10.0464 10.0464 10.8528 10.8528 10.8653 10.8653 k = 0.3267 0.5658 0.3920 ( 3284 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9280 0.9280 0.9345 0.9345 5.4595 5.4595 5.5905 5.5905 6.2163 6.2163 6.4407 6.4407 8.5506 8.5506 8.6236 8.6236 9.9754 9.9754 9.9759 9.9759 10.0312 10.0312 10.0496 10.0496 10.8380 10.8380 10.8398 10.8398 k = 0.3200 0.5543 0.3920 ( 3276 PWs) bands (ev): -54.3510 -54.3510 -54.3510 -54.3510 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9254 0.9254 0.9318 0.9318 5.4532 5.4532 5.5784 5.5784 6.2376 6.2376 6.4560 6.4560 8.5513 8.5513 8.6243 8.6243 9.9678 9.9678 9.9687 9.9687 10.0415 10.0415 10.0585 10.0585 10.8077 10.8077 10.8101 10.8101 k = 0.3133 0.5427 0.3920 ( 3280 PWs) bands (ev): -54.3511 -54.3511 -54.3510 -54.3510 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9209 0.9209 0.9273 0.9273 5.4441 5.4441 5.5613 5.5613 6.2702 6.2702 6.4803 6.4803 8.5528 8.5528 8.6256 8.6256 9.9574 9.9574 9.9594 9.9594 10.0555 10.0555 10.0715 10.0715 10.7753 10.7753 10.7794 10.7794 k = 0.3067 0.5312 0.3920 ( 3278 PWs) bands (ev): -54.3511 -54.3511 -54.3510 -54.3510 -28.7667 -28.7667 -28.7665 -28.7665 -27.9942 -27.9942 -27.9939 -27.9939 -27.8595 -27.8595 -27.8594 -27.8594 0.9145 0.9145 0.9207 0.9207 5.4336 5.4336 5.5416 5.5416 6.3117 6.3117 6.5124 6.5124 8.5549 8.5549 8.6274 8.6274 9.9461 9.9461 9.9487 9.9487 10.0718 10.0718 10.0872 10.0872 10.7432 10.7432 10.7479 10.7479 k = 0.3000 0.5196 0.3920 ( 3278 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7665 -28.7665 -27.9942 -27.9942 -27.9939 -27.9939 -27.8595 -27.8595 -27.8594 -27.8594 0.9059 0.9059 0.9120 0.9120 5.4228 5.4228 5.5217 5.5217 6.3599 6.3599 6.5510 6.5510 8.5577 8.5577 8.6299 8.6299 9.9345 9.9345 9.9374 9.9374 10.0897 10.0897 10.1050 10.1050 10.7115 10.7115 10.7165 10.7165 k = 0.2933 0.5081 0.3920 ( 3286 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7665 -28.7665 -27.9941 -27.9941 -27.9939 -27.9939 -27.8594 -27.8594 -27.8594 -27.8594 0.8951 0.8951 0.9010 0.9010 5.4129 5.4129 5.5031 5.5031 6.4130 6.4130 6.5950 6.5950 8.5614 8.5614 8.6331 8.6331 9.9228 9.9228 9.9259 9.9259 10.1088 10.1088 10.1242 10.1242 10.6805 10.6805 10.6856 10.6856 k = 0.2867 0.4965 0.3920 ( 3286 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7665 -28.7665 -27.9941 -27.9941 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8820 0.8820 0.8878 0.8878 5.4049 5.4049 5.4873 5.4873 6.4699 6.4699 6.6434 6.6434 8.5659 8.5659 8.6370 8.6370 9.9113 9.9113 9.9142 9.9142 10.1286 10.1286 10.1443 10.1443 10.6506 10.6506 10.6555 10.6555 k = 0.2800 0.4850 0.3920 ( 3282 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7665 -28.7665 -27.9940 -27.9940 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8667 0.8667 0.8723 0.8723 5.3996 5.3996 5.4750 5.4750 6.5294 6.5294 6.6950 6.6950 8.5713 8.5713 8.6417 8.6417 9.9000 9.9000 9.9027 9.9027 10.1488 10.1488 10.1649 10.1649 10.6225 10.6225 10.6271 10.6271 k = 0.2733 0.4734 0.3920 ( 3274 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7666 -28.7666 -28.7664 -28.7664 -27.9940 -27.9940 -27.9938 -27.9938 -27.8594 -27.8594 -27.8594 -27.8594 0.8491 0.8491 0.8545 0.8545 5.3978 5.3978 5.4669 5.4669 6.5909 6.5909 6.7493 6.7493 8.5777 8.5777 8.6472 8.6472 9.8890 9.8890 9.8914 9.8914 10.1686 10.1686 10.1850 10.1850 10.5970 10.5970 10.6010 10.6010 k = 0.2667 0.4619 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9939 -27.9939 -27.9937 -27.9937 -27.8594 -27.8594 -27.8594 -27.8594 0.8292 0.8292 0.8344 0.8344 5.3997 5.3997 5.4634 5.4634 6.6536 6.6536 6.8055 6.8055 8.5850 8.5850 8.6534 8.6534 9.8782 9.8782 9.8803 9.8803 10.1869 10.1869 10.2035 10.2035 10.5755 10.5755 10.5784 10.5784 k = 0.2600 0.4503 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7665 -28.7665 -28.7664 -28.7664 -27.9938 -27.9938 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.8072 0.8072 0.8120 0.8120 5.4060 5.4060 5.4648 5.4648 6.7171 6.7171 6.8629 6.8629 8.5933 8.5933 8.6604 8.6604 9.8679 9.8679 9.8695 9.8695 10.2024 10.2024 10.2188 10.2188 10.5597 10.5597 10.5610 10.5610 k = 0.2533 0.4388 0.3920 ( 3278 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7663 -28.7663 -27.9938 -27.9938 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7830 0.7830 0.7876 0.7876 5.4166 5.4166 5.4713 5.4713 6.7810 6.7810 6.9210 6.9210 8.6025 8.6025 8.6680 8.6680 9.8579 9.8579 9.8590 9.8590 10.2131 10.2131 10.2288 10.2288 10.5508 10.5508 10.5519 10.5519 k = 0.2467 0.4272 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7663 -28.7663 -27.9937 -27.9937 -27.9935 -27.9935 -27.8594 -27.8594 -27.8594 -27.8594 0.7567 0.7567 0.7611 0.7611 5.4320 5.4320 5.4829 5.4829 6.8447 6.8447 6.9793 6.9793 8.6126 8.6126 8.6764 8.6764 9.8483 9.8483 9.8488 9.8488 10.2174 10.2174 10.2316 10.2316 10.5499 10.5499 10.5543 10.5543 k = 0.2400 0.4157 0.3920 ( 3270 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7662 -28.7662 -27.9936 -27.9936 -27.9934 -27.9934 -27.8594 -27.8594 -27.8594 -27.8594 0.7286 0.7286 0.7327 0.7327 5.4521 5.4521 5.4997 5.4997 6.9080 6.9080 7.0373 7.0373 8.6236 8.6236 8.6854 8.6854 9.8390 9.8390 9.8391 9.8391 10.2141 10.2141 10.2264 10.2264 10.5594 10.5594 10.5678 10.5678 k = 0.2333 0.4041 0.3920 ( 3266 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7663 -28.7663 -28.7662 -28.7662 -27.9935 -27.9935 -27.9933 -27.9933 -27.8594 -27.8594 -27.8594 -27.8594 0.6987 0.6987 0.7025 0.7025 5.4769 5.4769 5.5217 5.5217 6.9705 6.9705 7.0947 7.0947 8.6354 8.6354 8.6950 8.6950 9.8296 9.8296 9.8304 9.8304 10.2036 10.2036 10.2141 10.2141 10.5793 10.5793 10.5920 10.5920 k = 0.2267 0.3926 0.3920 ( 3268 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7662 -28.7662 -28.7661 -28.7661 -27.9934 -27.9934 -27.9932 -27.9932 -27.8594 -27.8594 -27.8594 -27.8594 0.6672 0.6672 0.6707 0.6707 5.5065 5.5065 5.5487 5.5487 7.0319 7.0319 7.1510 7.1510 8.6479 8.6479 8.7050 8.7050 9.8205 9.8205 9.8221 9.8221 10.1874 10.1874 10.1963 10.1963 10.6083 10.6083 10.6253 10.6253 k = 0.2200 0.3811 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7661 -28.7661 -28.7660 -28.7660 -27.9932 -27.9932 -27.9931 -27.9931 -27.8594 -27.8594 -27.8594 -27.8594 0.6343 0.6343 0.6375 0.6375 5.5408 5.5408 5.5807 5.5807 7.0919 7.0919 7.2059 7.2059 8.6610 8.6610 8.7155 8.7155 9.8118 9.8118 9.8142 9.8142 10.1671 10.1671 10.1749 10.1749 10.6451 10.6451 10.6663 10.6663 k = 0.2133 0.3695 0.3920 ( 3260 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7661 -28.7661 -28.7660 -28.7660 -27.9931 -27.9931 -27.9930 -27.9930 -27.8594 -27.8594 -27.8594 -27.8594 0.6001 0.6001 0.6031 0.6031 5.5796 5.5796 5.6174 5.6174 7.1503 7.1503 7.2591 7.2591 8.6746 8.6746 8.7261 8.7261 9.8035 9.8035 9.8068 9.8068 10.1442 10.1442 10.1512 10.1512 10.6884 10.6884 10.7137 10.7137 k = 0.2067 0.3580 0.3920 ( 3264 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7660 -28.7660 -28.7659 -28.7659 -27.9930 -27.9930 -27.9929 -27.9929 -27.8594 -27.8594 -27.8594 -27.8594 0.5648 0.5648 0.5676 0.5676 5.6228 5.6228 5.6588 5.6588 7.2067 7.2067 7.3104 7.3104 8.6885 8.6885 8.7368 8.7368 9.7956 9.7956 9.7999 9.7999 10.1198 10.1198 10.1264 10.1264 10.7371 10.7371 10.7667 10.7667 k = 0.2000 0.3464 0.3920 ( 3260 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7659 -28.7659 -28.7658 -28.7658 -27.9929 -27.9929 -27.9927 -27.9927 -27.8594 -27.8594 -27.8594 -27.8594 0.5287 0.5287 0.5312 0.5312 5.6703 5.6703 5.7045 5.7045 7.2610 7.2610 7.3595 7.3595 8.7025 8.7025 8.7475 8.7475 9.7882 9.7882 9.7934 9.7934 10.0950 10.0950 10.1013 10.1013 10.7905 10.7905 10.8247 10.8247 k = 0.1933 0.3349 0.3920 ( 3260 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7658 -28.7658 -28.7658 -28.7658 -27.9927 -27.9927 -27.9926 -27.9926 -27.8594 -27.8594 -27.8594 -27.8594 0.4919 0.4919 0.4942 0.4942 5.7219 5.7219 5.7545 5.7545 7.3129 7.3129 7.4062 7.4062 8.7163 8.7163 8.7580 8.7580 9.7811 9.7811 9.7874 9.7874 10.0702 10.0702 10.0764 10.0764 10.8482 10.8482 10.8872 10.8872 k = 0.1867 0.3233 0.3920 ( 3264 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7658 -28.7658 -28.7657 -28.7657 -27.9926 -27.9926 -27.9925 -27.9925 -27.8594 -27.8594 -27.8594 -27.8594 0.4546 0.4546 0.4567 0.4567 5.7774 5.7774 5.8086 5.8086 7.3624 7.3624 7.4504 7.4504 8.7299 8.7299 8.7679 8.7679 9.7745 9.7745 9.7819 9.7819 10.0459 10.0459 10.0523 10.0523 10.9097 10.9097 10.9539 10.9539 k = 0.1800 0.3118 0.3920 ( 3264 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7657 -28.7657 -28.7656 -28.7656 -27.9925 -27.9925 -27.9924 -27.9924 -27.8594 -27.8594 -27.8594 -27.8594 0.4170 0.4170 0.4189 0.4189 5.8367 5.8367 5.8664 5.8664 7.4093 7.4093 7.4919 7.4919 8.7428 8.7428 8.7773 8.7773 9.7683 9.7683 9.7769 9.7769 10.0226 10.0226 10.0292 10.0292 10.9744 10.9744 11.0245 11.0245 k = 0.1733 0.3002 0.3920 ( 3248 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7656 -28.7656 -28.7655 -28.7655 -27.9923 -27.9923 -27.9922 -27.9922 -27.8594 -27.8594 -27.8594 -27.8594 0.3794 0.3794 0.3810 0.3810 5.8994 5.8994 5.9277 5.9277 7.4535 7.4535 7.5308 7.5308 8.7549 8.7549 8.7857 8.7857 9.7627 9.7627 9.7725 9.7725 10.0005 10.0005 10.0074 10.0074 11.0417 11.0417 11.0984 11.0984 k = 0.1667 0.2887 0.3920 ( 3240 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7655 -28.7655 -28.7654 -28.7654 -27.9922 -27.9922 -27.9921 -27.9921 -27.8594 -27.8594 -27.8594 -27.8594 0.3417 0.3417 0.3432 0.3432 5.9653 5.9653 5.9925 5.9925 7.4950 7.4950 7.5669 7.5669 8.7658 8.7658 8.7931 8.7931 9.7576 9.7576 9.7685 9.7685 9.9798 9.9798 9.9871 9.9871 11.1107 11.1107 11.1749 11.1749 k = 0.1600 0.2771 0.3920 ( 3248 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7654 -28.7654 -28.7654 -28.7654 -27.9920 -27.9920 -27.9919 -27.9919 -27.8594 -27.8594 -27.8594 -27.8594 0.3043 0.3043 0.3056 0.3056 6.0344 6.0344 6.0603 6.0603 7.5336 7.5336 7.6004 7.6004 8.7752 8.7752 8.7992 8.7992 9.7531 9.7531 9.7652 9.7652 9.9606 9.9606 9.9683 9.9683 11.1794 11.1794 11.2522 11.2522 k = 0.1533 0.2656 0.3920 ( 3248 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7653 -28.7653 -28.7653 -28.7653 -27.9919 -27.9919 -27.9918 -27.9918 -27.8594 -27.8594 -27.8594 -27.8594 0.2674 0.2674 0.2685 0.2685 6.1062 6.1062 6.1309 6.1309 7.5695 7.5695 7.6312 7.6312 8.7830 8.7830 8.8037 8.8037 9.7493 9.7493 9.7625 9.7625 9.9430 9.9430 9.9512 9.9512 11.2445 11.2445 11.3260 11.3260 k = 0.1467 0.2540 0.3920 ( 3236 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7652 -28.7652 -28.7652 -28.7652 -27.9917 -27.9917 -27.9916 -27.9916 -27.8594 -27.8594 -27.8594 -27.8594 0.2309 0.2309 0.2319 0.2319 6.1807 6.1807 6.2042 6.2042 7.6026 7.6026 7.6594 7.6594 8.7889 8.7889 8.8066 8.8066 9.7463 9.7463 9.7604 9.7604 9.9271 9.9271 9.9357 9.9357 11.2991 11.2991 11.3830 11.3830 k = 0.1400 0.2425 0.3920 ( 3232 PWs) bands (ev): -54.3512 -54.3512 -54.3512 -54.3512 -28.7651 -28.7651 -28.7651 -28.7651 -27.9916 -27.9916 -27.9915 -27.9915 -27.8594 -27.8594 -27.8594 -27.8594 0.1952 0.1952 0.1960 0.1960 6.2575 6.2575 6.2799 6.2799 7.6331 7.6331 7.6851 7.6851 8.7926 8.7926 8.8075 8.8075 9.7442 9.7442 9.7590 9.7590 9.9129 9.9129 9.9218 9.9218 11.3332 11.3332 11.4043 11.4043 k = 0.1333 0.2309 0.3920 ( 3232 PWs) bands (ev): -54.3513 -54.3513 -54.3512 -54.3512 -28.7651 -28.7651 -28.7650 -28.7650 -27.9914 -27.9914 -27.9914 -27.9914 -27.8594 -27.8594 -27.8594 -27.8594 0.1603 0.1603 0.1610 0.1610 6.3364 6.3364 6.3577 6.3577 7.6610 7.6610 7.7084 7.7084 8.7939 8.7939 8.8064 8.8064 9.7429 9.7429 9.7584 9.7584 9.9001 9.9001 9.9095 9.9095 11.3417 11.3417 11.3951 11.3951 k = 0.1267 0.2194 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7650 -28.7650 -28.7649 -28.7649 -27.9913 -27.9913 -27.9912 -27.9912 -27.8594 -27.8594 -27.8594 -27.8594 0.1263 0.1263 0.1270 0.1270 6.4172 6.4172 6.4373 6.4373 7.6863 7.6863 7.7295 7.7295 8.7928 8.7928 8.8031 8.8031 9.7427 9.7427 9.7585 9.7585 9.8889 9.8889 9.8985 9.8985 11.3295 11.3295 11.3700 11.3700 k = 0.1200 0.2078 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7649 -28.7649 -28.7649 -28.7649 -27.9911 -27.9911 -27.9911 -27.9911 -27.8594 -27.8594 -27.8594 -27.8594 0.0935 0.0935 0.0940 0.0940 6.4996 6.4996 6.5186 6.5186 7.7093 7.7093 7.7484 7.7484 8.7891 8.7891 8.7975 8.7975 9.7434 9.7434 9.7595 9.7595 9.8790 9.8790 9.8889 9.8889 11.3032 11.3032 11.3352 11.3352 k = 0.1133 0.1963 0.3920 ( 3240 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7648 -28.7648 -28.7648 -28.7648 -27.9910 -27.9910 -27.9909 -27.9909 -27.8594 -27.8594 -27.8594 -27.8594 0.0618 0.0618 0.0623 0.0623 6.5833 6.5833 6.6012 6.6012 7.7302 7.7302 7.7654 7.7654 8.7827 8.7827 8.7894 8.7894 9.7451 9.7451 9.7612 9.7612 9.8704 9.8704 9.8805 9.8805 11.2677 11.2677 11.2936 11.2936 k = 0.1067 0.1848 0.3920 ( 3234 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7647 -28.7647 -28.7647 -28.7647 -27.9908 -27.9908 -27.9908 -27.9908 -27.8594 -27.8594 -27.8594 -27.8594 0.0315 0.0315 0.0319 0.0319 6.6680 6.6680 6.6849 6.6849 7.7489 7.7489 7.7806 7.7806 8.7735 8.7735 8.7789 8.7789 9.7478 9.7478 9.7637 9.7637 9.8629 9.8629 9.8730 9.8730 11.2256 11.2256 11.2468 11.2468 k = 0.1000 0.1732 0.3920 ( 3234 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7646 -28.7646 -28.7646 -28.7646 -27.9907 -27.9907 -27.9907 -27.9907 -27.8594 -27.8594 -27.8594 -27.8594 0.0025 0.0025 0.0029 0.0029 6.7536 6.7536 6.7692 6.7692 7.7658 7.7658 7.7941 7.7941 8.7615 8.7615 8.7659 8.7659 9.7513 9.7513 9.7669 9.7669 9.8563 9.8563 9.8665 9.8665 11.1789 11.1789 11.1963 11.1963 k = 0.0933 0.1617 0.3920 ( 3234 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7646 -28.7646 -28.7645 -28.7645 -27.9906 -27.9906 -27.9905 -27.9905 -27.8594 -27.8594 -27.8594 -27.8594 -0.0249 -0.0249 -0.0247 -0.0247 6.8395 6.8395 6.8540 6.8540 7.7810 7.7810 7.8062 7.8062 8.7467 8.7467 8.7502 8.7502 9.7557 9.7557 9.7707 9.7707 9.8506 9.8506 9.8607 9.8607 11.1292 11.1292 11.1434 11.1434 k = 0.0867 0.1501 0.3920 ( 3238 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7645 -28.7645 -28.7645 -28.7645 -27.9904 -27.9904 -27.9904 -27.9904 -27.8594 -27.8594 -27.8594 -27.8594 -0.0508 -0.0508 -0.0506 -0.0506 6.9254 6.9254 6.9389 6.9389 7.7947 7.7947 7.8170 7.8170 8.7290 8.7290 8.7319 8.7319 9.7606 9.7606 9.7749 9.7749 9.8455 9.8455 9.8555 9.8555 11.0778 11.0778 11.0892 11.0892 k = 0.0800 0.1386 0.3920 ( 3232 PWs) bands (ev): -54.3513 -54.3513 -54.3513 -54.3513 -28.7644 -28.7644 -28.7644 -28.7644 -27.9903 -27.9903 -27.9903 -27.9903 -27.8594 -27.8594 -27.8594 -27.8594 -0.0751 -0.0751 -0.0749 -0.0749 7.0111 7.0111 7.0233 7.0233 7.8071 7.8071 7.8267 7.8267 8.7086 8.7086 8.7110 8.7110 9.7661 9.7661 9.7796 9.7796 9.8411 9.8411 9.8508 9.8508 11.0258 11.0258 11.0348 11.0348 k = 0.0733 0.1270 0.3920 ( 3232 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7643 -28.7643 -28.7643 -28.7643 -27.9902 -27.9902 -27.9902 -27.9902 -27.8594 -27.8594 -27.8594 -27.8594 -0.0976 -0.0976 -0.0975 -0.0975 7.0959 7.0959 7.1070 7.1070 7.8185 7.8185 7.8356 7.8356 8.6852 8.6852 8.6872 8.6872 9.7719 9.7719 9.7845 9.7845 9.8371 9.8371 9.8466 9.8466 10.9742 10.9742 10.9812 10.9812 k = 0.0667 0.1155 0.3920 ( 3244 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7643 -28.7643 -28.7643 -28.7643 -27.9901 -27.9901 -27.9901 -27.9901 -27.8594 -27.8594 -27.8594 -27.8594 -0.1184 -0.1184 -0.1183 -0.1183 7.1793 7.1793 7.1892 7.1892 7.8292 7.8292 7.8440 7.8440 8.6591 8.6591 8.6608 8.6608 9.7779 9.7779 9.7896 9.7896 9.8336 9.8336 9.8427 9.8427 10.9240 10.9240 10.9293 10.9293 k = 0.0600 0.1039 0.3920 ( 3244 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7642 -28.7642 -28.7642 -28.7642 -27.9900 -27.9900 -27.9900 -27.9900 -27.8594 -27.8594 -27.8594 -27.8594 -0.1374 -0.1374 -0.1373 -0.1373 7.2607 7.2607 7.2694 7.2694 7.8395 7.8395 7.8521 7.8521 8.6302 8.6302 8.6317 8.6317 9.7839 9.7839 9.7946 9.7946 9.8305 9.8305 9.8391 9.8391 10.8759 10.8759 10.8799 10.8799 k = 0.0533 0.0924 0.3920 ( 3252 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7642 -28.7642 -28.7642 -28.7642 -27.9899 -27.9899 -27.9899 -27.9899 -27.8594 -27.8594 -27.8594 -27.8594 -0.1545 -0.1545 -0.1545 -0.1545 7.3392 7.3392 7.3466 7.3466 7.8499 7.8499 7.8603 7.8603 8.5988 8.5988 8.6000 8.6000 9.7898 9.7898 9.7994 9.7994 9.8278 9.8278 9.8358 9.8358 10.8309 10.8309 10.8337 10.8337 k = 0.0467 0.0808 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9899 -27.9899 -27.9899 -27.9899 -27.8594 -27.8594 -27.8594 -27.8594 -0.1697 -0.1697 -0.1697 -0.1697 7.4137 7.4137 7.4198 7.4198 7.8609 7.8609 7.8693 7.8693 8.5650 8.5650 8.5661 8.5661 9.7955 9.7955 9.8040 9.8040 9.8254 9.8254 9.8327 9.8327 10.7895 10.7895 10.7914 10.7914 k = 0.0400 0.0693 0.3920 ( 3258 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9898 -27.9898 -27.9898 -27.9898 -27.8594 -27.8594 -27.8594 -27.8594 -0.1829 -0.1829 -0.1829 -0.1829 7.4828 7.4828 7.4876 7.4876 7.8733 7.8733 7.8797 7.8797 8.5293 8.5293 8.5302 8.5302 9.8008 9.8008 9.8081 9.8081 9.8233 9.8233 9.8298 9.8298 10.7524 10.7524 10.7536 10.7536 k = 0.0333 0.0577 0.3920 ( 3258 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7641 -28.7641 -28.7641 -28.7641 -27.9897 -27.9897 -27.9897 -27.9897 -27.8594 -27.8594 -27.8594 -27.8594 -0.1942 -0.1942 -0.1942 -0.1942 7.5447 7.5447 7.5481 7.5481 7.8878 7.8878 7.8923 7.8923 8.4926 8.4926 8.4933 8.4933 9.8056 9.8056 9.8117 9.8117 9.8216 9.8216 9.8272 9.8272 10.7201 10.7201 10.7208 10.7208 k = 0.0267 0.0462 0.3920 ( 3258 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9897 -27.9897 -27.9897 -27.9897 -27.8594 -27.8594 -27.8594 -27.8594 -0.2034 -0.2034 -0.2034 -0.2034 7.5971 7.5971 7.5992 7.5992 7.9050 7.9050 7.9078 7.9078 8.4559 8.4559 8.4564 8.4564 9.8098 9.8098 9.8147 9.8147 9.8203 9.8203 9.8249 9.8249 10.6930 10.6930 10.6934 10.6934 k = 0.0200 0.0346 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2106 -0.2106 -0.2106 -0.2106 7.6382 7.6382 7.6392 7.6392 7.9245 7.9245 7.9259 7.9259 8.4212 8.4212 8.4215 8.4215 9.8133 9.8133 9.8168 9.8168 9.8194 9.8194 9.8229 9.8229 10.6715 10.6715 10.6717 10.6717 k = 0.0133 0.0231 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2158 -0.2158 -0.2158 -0.2158 7.6669 7.6669 7.6673 7.6673 7.9441 7.9441 7.9446 7.9446 8.3915 8.3915 8.3916 8.3916 9.8160 9.8160 9.8180 9.8180 9.8193 9.8193 9.8212 9.8212 10.6560 10.6560 10.6561 10.6561 k = 0.0067 0.0115 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2189 -0.2189 -0.2189 -0.2189 7.6835 7.6835 7.6836 7.6836 7.9593 7.9593 7.9594 7.9594 8.3708 8.3708 8.3708 8.3708 9.8178 9.8178 9.8183 9.8183 9.8196 9.8196 9.8201 9.8201 10.6466 10.6466 10.6466 10.6466 k = 0.0000 0.0000 0.3920 ( 3250 PWs) bands (ev): -54.3514 -54.3514 -54.3514 -54.3514 -28.7640 -28.7640 -28.7640 -28.7640 -27.9896 -27.9896 -27.9896 -27.9896 -27.8594 -27.8594 -27.8594 -27.8594 -0.2199 -0.2199 -0.2199 -0.2199 7.6889 7.6889 7.6889 7.6889 7.9651 7.9651 7.9651 7.9651 8.3633 8.3633 8.3633 8.3633 9.8185 9.8185 9.8185 9.8185 9.8196 9.8196 9.8196 9.8196 10.6435 10.6435 10.6435 10.6435 k = 0.5000 0.2887 0.3920 ( 3268 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7664 -28.7664 -28.7664 -28.7664 -27.9936 -27.9936 -27.9936 -27.9936 -27.8594 -27.8594 -27.8594 -27.8594 0.7981 0.7981 0.7981 0.7981 5.0203 5.0203 5.0203 5.0203 7.6528 7.6528 7.6528 7.6528 8.5116 8.5116 8.5116 8.5116 10.0052 10.0052 10.0052 10.0052 10.1964 10.1964 10.1964 10.1964 10.2888 10.2888 10.2888 10.2888 k = 0.5000 0.2887 0.3784 ( 3268 PWs) bands (ev): -54.3524 -54.3524 -54.3498 -54.3498 -28.7679 -28.7679 -28.7648 -28.7648 -27.9949 -27.9949 -27.9923 -27.9923 -27.8672 -27.8672 -27.8515 -27.8515 0.7823 0.7823 0.8131 0.8131 4.9822 4.9822 5.0630 5.0630 7.6465 7.6465 7.6585 7.6585 8.4637 8.4637 8.5581 8.5581 9.9359 9.9359 10.0721 10.0721 10.1811 10.1811 10.2113 10.2113 10.2559 10.2559 10.3231 10.3231 k = 0.5000 0.2887 0.3649 ( 3256 PWs) bands (ev): -54.3537 -54.3537 -54.3485 -54.3485 -28.7696 -28.7696 -28.7634 -28.7634 -27.9962 -27.9962 -27.9910 -27.9910 -27.8750 -27.8750 -27.8436 -27.8436 0.7657 0.7657 0.8272 0.8272 4.9488 4.9488 5.1104 5.1104 7.6395 7.6395 7.6634 7.6634 8.4146 8.4146 8.6024 8.6024 9.8651 9.8651 10.1320 10.1320 10.1676 10.1676 10.2225 10.2225 10.2303 10.2303 10.3584 10.3584 k = 0.5000 0.2887 0.3514 ( 3252 PWs) bands (ev): -54.3550 -54.3550 -54.3472 -54.3472 -28.7712 -28.7712 -28.7620 -28.7620 -27.9975 -27.9975 -27.9898 -27.9898 -27.8826 -27.8826 -27.8356 -27.8356 0.7486 0.7486 0.8403 0.8403 4.9201 4.9201 5.1622 5.1622 7.6320 7.6320 7.6675 7.6675 8.3649 8.3649 8.6443 8.6443 9.7931 9.7931 10.1427 10.1427 10.1720 10.1720 10.2263 10.2263 10.2412 10.2412 10.3944 10.3944 k = 0.5000 0.2887 0.3379 ( 3260 PWs) bands (ev): -54.3562 -54.3562 -54.3459 -54.3459 -28.7730 -28.7730 -28.7606 -28.7606 -27.9988 -27.9988 -27.9885 -27.9885 -27.8901 -27.8901 -27.8277 -27.8277 0.7309 0.7309 0.8524 0.8524 4.8960 4.8960 5.2185 5.2185 7.6241 7.6241 7.6707 7.6707 8.3150 8.3150 8.6833 8.6833 9.7202 9.7202 10.1246 10.1246 10.1524 10.1524 10.2539 10.2539 10.2784 10.2784 10.4312 10.4312 k = 0.5000 0.2887 0.3244 ( 3256 PWs) bands (ev): -54.3575 -54.3575 -54.3446 -54.3446 -28.7747 -28.7747 -28.7593 -28.7593 -28.0000 -28.0000 -27.9872 -27.9872 -27.8974 -27.8974 -27.8198 -27.8198 0.7128 0.7128 0.8634 0.8634 4.8766 4.8766 5.2790 5.2790 7.6157 7.6157 7.6729 7.6729 8.2653 8.2653 8.7187 8.7187 9.6466 9.6466 10.1014 10.1014 10.1298 10.1298 10.2669 10.2669 10.3349 10.3349 10.4693 10.4693 k = 0.5000 0.2887 0.3109 ( 3256 PWs) bands (ev): -54.3587 -54.3587 -54.3434 -54.3434 -28.7765 -28.7765 -28.7581 -28.7581 -28.0013 -28.0013 -27.9860 -27.9860 -27.9046 -27.9046 -27.8119 -27.8119 0.6944 0.6944 0.8732 0.8732 4.8617 4.8617 5.3438 5.3438 7.6070 7.6070 7.6740 7.6740 8.2163 8.2163 8.7502 8.7502 9.5724 9.5724 10.0744 10.0744 10.1105 10.1105 10.2791 10.2791 10.3885 10.3885 10.5093 10.5093 k = 0.5000 0.2887 0.2973 ( 3248 PWs) bands (ev): -54.3600 -54.3600 -54.3422 -54.3422 -28.7783 -28.7783 -28.7569 -28.7569 -28.0025 -28.0025 -27.9848 -27.9848 -27.9116 -27.9116 -27.8042 -27.8042 0.6759 0.6759 0.8819 0.8819 4.8513 4.8513 5.4127 5.4127 7.5981 7.5981 7.6739 7.6739 8.1684 8.1684 8.7772 8.7772 9.4976 9.4976 10.0458 10.0458 10.0933 10.0933 10.2905 10.2905 10.4369 10.4369 10.5518 10.5518 k = 0.5000 0.2887 0.2838 ( 3252 PWs) bands (ev): -54.3611 -54.3611 -54.3410 -54.3410 -28.7801 -28.7801 -28.7558 -28.7558 -28.0037 -28.0037 -27.9836 -27.9836 -27.9183 -27.9183 -27.7965 -27.7965 0.6573 0.6573 0.8895 0.8895 4.8452 4.8452 5.4855 5.4855 7.5889 7.5889 7.6725 7.6725 8.1220 8.1220 8.7991 8.7991 9.4225 9.4225 10.0172 10.0172 10.0771 10.0771 10.3011 10.3011 10.4794 10.4794 10.5970 10.5970 k = 0.5000 0.2887 0.2703 ( 3260 PWs) bands (ev): -54.3623 -54.3623 -54.3398 -54.3398 -28.7819 -28.7819 -28.7548 -28.7548 -28.0048 -28.0048 -27.9824 -27.9824 -27.9249 -27.9249 -27.7890 -27.7890 0.6388 0.6388 0.8959 0.8959 4.8432 4.8432 5.5621 5.5621 7.5797 7.5797 7.6696 7.6696 8.0777 8.0777 8.8155 8.8155 9.3472 9.3472 9.9891 9.9891 10.0617 10.0617 10.3108 10.3108 10.5160 10.5160 10.6441 10.6441 k = 0.5000 0.2887 0.2568 ( 3264 PWs) bands (ev): -54.3634 -54.3634 -54.3387 -54.3387 -28.7837 -28.7837 -28.7538 -28.7538 -28.0059 -28.0059 -27.9813 -27.9813 -27.9312 -27.9312 -27.7817 -27.7817 0.6204 0.6204 0.9013 0.9013 4.8452 4.8452 5.6423 5.6423 7.5704 7.5704 7.6651 7.6651 8.0359 8.0359 8.8259 8.8259 9.2718 9.2718 9.9618 9.9618 10.0468 10.0468 10.3196 10.3196 10.5475 10.5475 10.6921 10.6921 k = 0.5000 0.2887 0.2433 ( 3264 PWs) bands (ev): -54.3645 -54.3645 -54.3376 -54.3376 -28.7855 -28.7855 -28.7529 -28.7529 -28.0070 -28.0070 -27.9802 -27.9802 -27.9372 -27.9372 -27.7746 -27.7746 0.6023 0.6023 0.9056 0.9056 4.8508 4.8508 5.7260 5.7260 7.5611 7.5611 7.6586 7.6586 7.9971 7.9971 8.8297 8.8297 9.1965 9.1965 9.9354 9.9354 10.0324 10.0324 10.3276 10.3276 10.5748 10.5748 10.7397 10.7397 k = 0.5000 0.2887 0.2298 ( 3268 PWs) bands (ev): -54.3656 -54.3656 -54.3365 -54.3365 -28.7873 -28.7873 -28.7521 -28.7521 -28.0081 -28.0081 -27.9792 -27.9792 -27.9429 -27.9429 -27.7677 -27.7677 0.5847 0.5847 0.9090 0.9090 4.8598 4.8598 5.8130 5.8130 7.5520 7.5520 7.6501 7.6501 7.9619 7.9619 8.8265 8.8265 9.1216 9.1216 9.9101 9.9101 10.0186 10.0186 10.3347 10.3347 10.5983 10.5983 10.7859 10.7859 k = 0.5000 0.2887 0.2163 ( 3274 PWs) bands (ev): -54.3666 -54.3666 -54.3355 -54.3355 -28.7890 -28.7890 -28.7513 -28.7513 -28.0091 -28.0091 -27.9782 -27.9782 -27.9484 -27.9484 -27.7610 -27.7610 0.5675 0.5675 0.9115 0.9115 4.8719 4.8719 5.9031 5.9031 7.5431 7.5431 7.6394 7.6394 7.9306 7.9306 8.8158 8.8158 9.0472 9.0472 9.8860 9.8860 10.0053 10.0053 10.3411 10.3411 10.6185 10.6185 10.8303 10.8303 k = 0.5000 0.2887 0.2027 ( 3272 PWs) bands (ev): -54.3676 -54.3676 -54.3345 -54.3345 -28.7907 -28.7907 -28.7506 -28.7506 -28.0101 -28.0101 -27.9772 -27.9772 -27.9536 -27.9536 -27.7546 -27.7546 0.5509 0.5509 0.9131 0.9131 4.8868 4.8868 5.9961 5.9961 7.5344 7.5344 7.6264 7.6264 7.9035 7.9035 8.7973 8.7973 8.9739 8.9739 9.8630 9.8630 9.9927 9.9927 10.3467 10.3467 10.6357 10.6357 10.8725 10.8725 k = 0.5000 0.2887 0.1892 ( 3268 PWs) bands (ev): -54.3685 -54.3685 -54.3336 -54.3336 -28.7924 -28.7924 -28.7499 -28.7499 -28.0110 -28.0110 -27.9763 -27.9763 -27.9585 -27.9585 -27.7485 -27.7485 0.5349 0.5349 0.9140 0.9140 4.9040 4.9040 6.0918 6.0918 7.5260 7.5260 7.6113 7.6113 7.8807 7.8807 8.7705 8.7705 8.9019 8.9019 9.8414 9.8414 9.9807 9.9807 10.3515 10.3515 10.6501 10.6501 10.9123 10.9123 k = 0.5000 0.2887 0.1757 ( 3268 PWs) bands (ev): -54.3693 -54.3693 -54.3328 -54.3328 -28.7939 -28.7939 -28.7493 -28.7493 -28.0118 -28.0118 -27.9755 -27.9755 -27.9630 -27.9630 -27.7427 -27.7427 0.5198 0.5198 0.9143 0.9143 4.9231 4.9231 6.1899 6.1899 7.5181 7.5181 7.5946 7.5946 7.8620 7.8620 8.7352 8.7352 8.8316 8.8316 9.8210 9.8210 9.9694 9.9694 10.3557 10.3557 10.6619 10.6619 10.9494 10.9494 k = 0.5000 0.2887 0.1622 ( 3262 PWs) bands (ev): -54.3701 -54.3701 -54.3319 -54.3319 -28.7955 -28.7955 -28.7487 -28.7487 -28.0126 -28.0126 -27.9748 -27.9748 -27.9672 -27.9672 -27.7372 -27.7372 0.5054 0.5054 0.9141 0.9141 4.9438 4.9438 6.2902 6.2902 7.5106 7.5106 7.5769 7.5769 7.8471 7.8471 8.6915 8.6915 8.7636 8.7636 9.8020 9.8020 9.9588 9.9588 10.3593 10.3593 10.6715 10.6715 10.9839 10.9839 k = 0.5000 0.2887 0.1487 ( 3258 PWs) bands (ev): -54.3709 -54.3709 -54.3312 -54.3312 -28.7969 -28.7969 -28.7482 -28.7482 -28.0134 -28.0134 -27.9744 -27.9744 -27.9708 -27.9708 -27.7321 -27.7321 0.4919 0.4919 0.9134 0.9134 4.9654 4.9654 6.3925 6.3925 7.5037 7.5037 7.5589 7.5589 7.8354 7.8354 8.6398 8.6398 8.6978 8.6978 9.7844 9.7844 9.9489 9.9489 10.3624 10.3624 10.6792 10.6792 11.0157 11.0157 k = 0.5000 0.2887 0.1352 ( 3258 PWs) bands (ev): -54.3716 -54.3716 -54.3305 -54.3305 -28.7982 -28.7982 -28.7477 -28.7477 -28.0141 -28.0141 -27.9757 -27.9757 -27.9724 -27.9724 -27.7274 -27.7274 0.4794 0.4794 0.9124 0.9124 4.9876 4.9876 6.4962 6.4962 7.4971 7.4971 7.5414 7.5414 7.8265 7.8265 8.5815 8.5815 8.6334 8.6334 9.7683 9.7683 9.9398 9.9398 10.3650 10.3650 10.6852 10.6852 11.0447 11.0447 k = 0.5000 0.2887 0.1216 ( 3258 PWs) bands (ev): -54.3722 -54.3722 -54.3298 -54.3298 -28.7995 -28.7995 -28.7473 -28.7473 -28.0147 -28.0147 -27.9786 -27.9786 -27.9721 -27.9721 -27.7231 -27.7231 0.4680 0.4680 0.9112 0.9112 5.0098 5.0098 6.6010 6.6010 7.4908 7.4908 7.5255 7.5255 7.8199 7.8199 8.5179 8.5179 8.5702 8.5702 9.7536 9.7536 9.9315 9.9315 10.3672 10.3672 10.6899 10.6899 11.0710 11.0710 k = 0.5000 0.2887 0.1081 ( 3254 PWs) bands (ev): -54.3728 -54.3728 -54.3292 -54.3292 -28.8006 -28.8006 -28.7470 -28.7470 -28.0153 -28.0153 -27.9815 -27.9815 -27.9717 -27.9717 -27.7191 -27.7191 0.4575 0.4575 0.9099 0.9099 5.0316 5.0316 6.7064 6.7064 7.4839 7.4839 7.5125 7.5125 7.8153 7.8153 8.4490 8.4490 8.5093 8.5093 9.7403 9.7403 9.9240 9.9240 10.3690 10.3690 10.6935 10.6935 11.0946 11.0946 k = 0.5000 0.2887 0.0946 ( 3260 PWs) bands (ev): -54.3733 -54.3733 -54.3287 -54.3287 -28.8016 -28.8016 -28.7467 -28.7467 -28.0158 -28.0158 -27.9840 -27.9840 -27.9712 -27.9712 -27.7156 -27.7156 0.4482 0.4482 0.9084 0.9084 5.0523 5.0523 6.8116 6.8116 7.4752 7.4752 7.5045 7.5045 7.8123 7.8123 8.3741 8.3741 8.4527 8.4527 9.7286 9.7286 9.9173 9.9173 10.3705 10.3705 10.6962 10.6962 11.1154 11.1154 k = 0.5000 0.2887 0.0811 ( 3258 PWs) bands (ev): -54.3738 -54.3738 -54.3283 -54.3283 -28.8025 -28.8025 -28.7464 -28.7464 -28.0163 -28.0163 -27.9863 -27.9863 -27.9708 -27.9708 -27.7126 -27.7126 0.4401 0.4401 0.9070 0.9070 5.0715 5.0715 6.9155 6.9155 7.4647 7.4647 7.5023 7.5023 7.8106 7.8106 8.2933 8.2933 8.4018 8.4018 9.7184 9.7184 9.9115 9.9115 10.3717 10.3717 10.6983 10.6983 11.1335 11.1335 k = 0.5000 0.2887 0.0676 ( 3260 PWs) bands (ev): -54.3742 -54.3742 -54.3279 -54.3279 -28.8033 -28.8033 -28.7462 -28.7462 -28.0166 -28.0166 -27.9882 -27.9882 -27.9704 -27.9704 -27.7100 -27.7100 0.4332 0.4332 0.9057 0.9057 5.0887 5.0887 7.0163 7.0163 7.4537 7.4537 7.5057 7.5057 7.8097 7.8097 8.2078 8.2078 8.3572 8.3572 9.7097 9.7097 9.9065 9.9065 10.3726 10.3726 10.6999 10.6999 11.1488 11.1488 k = 0.5000 0.2887 0.0541 ( 3256 PWs) bands (ev): -54.3745 -54.3745 -54.3276 -54.3276 -28.8040 -28.8040 -28.7460 -28.7460 -28.0169 -28.0169 -27.9898 -27.9898 -27.9701 -27.9701 -27.7078 -27.7078 0.4274 0.4274 0.9046 0.9046 5.1034 5.1034 7.1112 7.1112 7.4431 7.4431 7.5160 7.5160 7.8094 7.8094 8.1194 8.1194 8.3193 8.3193 9.7026 9.7026 9.9025 9.9025 10.3734 10.3734 10.7010 10.7010 11.1613 11.1613 k = 0.5000 0.2887 0.0405 ( 3256 PWs) bands (ev): -54.3747 -54.3747 -54.3273 -54.3273 -28.8045 -28.8045 -28.7458 -28.7458 -28.0172 -28.0172 -27.9910 -27.9910 -27.9699 -27.9699 -27.7062 -27.7062 0.4230 0.4230 0.9036 0.9036 5.1154 5.1154 7.1952 7.1952 7.4332 7.4332 7.5362 7.5362 7.8085 7.8085 8.0305 8.0305 8.2888 8.2888 9.6970 9.6970 9.8993 9.8993 10.3740 10.3740 10.7019 10.7019 11.1711 11.1711 k = 0.5000 0.2887 0.0270 ( 3258 PWs) bands (ev): -54.3749 -54.3749 -54.3271 -54.3271 -28.8048 -28.8048 -28.7457 -28.7457 -28.0174 -28.0174 -27.9919 -27.9919 -27.9697 -27.9697 -27.7050 -27.7050 0.4198 0.4198 0.9029 0.9029 5.1241 5.1241 7.2614 7.2614 7.4243 7.4243 7.5700 7.5700 7.8051 7.8051 7.9464 7.9464 8.2664 8.2664 9.6931 9.6931 9.8970 9.8970 10.3744 10.3744 10.7024 10.7024 11.1781 11.1781 k = 0.5000 0.2887 0.0135 ( 3258 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9924 -27.9924 -27.9696 -27.9696 -27.7042 -27.7042 0.4178 0.4178 0.9025 0.9025 5.1295 5.1295 7.3033 7.3033 7.4170 7.4170 7.6152 7.6152 7.7922 7.7922 7.8816 7.8816 8.2527 8.2527 9.6907 9.6907 9.8956 9.8956 10.3746 10.3746 10.7027 10.7027 11.1822 11.1823 k = 0.5000 0.2887-0.0000 ( 3268 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8051 -28.8051 -28.7457 -28.7457 -28.0175 -28.0175 -27.9926 -27.9926 -27.9695 -27.9695 -27.7040 -27.7040 0.4172 0.4172 0.9023 0.9023 5.1313 5.1313 7.3176 7.3176 7.4140 7.4140 7.6438 7.6438 7.7750 7.7750 7.8596 7.8596 8.2481 8.2481 9.6899 9.6899 9.8952 9.8952 10.3747 10.3747 10.7029 10.7029 11.1836 11.1836 k = 0.3333 0.5774-0.0000 ( 3261 PWs) bands (ev): -54.3750 -54.3750 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0182 -28.0182 -27.9925 -27.9925 -27.9700 -27.9700 -27.7040 -27.7040 0.8169 0.8169 0.8198 0.8198 4.8924 4.8924 6.3780 6.3780 6.5989 6.5989 7.7571 7.7571 7.7899 7.7899 8.8286 8.8286 8.9687 8.9687 9.8997 9.8997 9.9587 9.9587 10.5314 10.5314 11.1815 11.1815 11.2016 11.2016 k = 0.3333 0.5774 0.0135 ( 3261 PWs) bands (ev): -54.3749 -54.3749 -54.3270 -54.3270 -28.8052 -28.8052 -28.7461 -28.7461 -28.0181 -28.0181 -27.9923 -27.9923 -27.9700 -27.9700 -27.7043 -27.7043 0.8173 0.8173 0.8201 0.8201 4.8941 4.8941 6.3739 6.3739 6.5940 6.5940 7.7615 7.7615 7.7935 7.7935 8.8226 8.8226 8.9690 8.9690 9.9001 9.9001 9.9590 9.9590 10.5339 10.5339 11.1806 11.1806 11.2008 11.2008 k = 0.3333 0.5774 0.0270 ( 3261 PWs) bands (ev): -54.3748 -54.3748 -54.3271 -54.3271 -28.8050 -28.8050 -28.7462 -28.7462 -28.0180 -28.0180 -27.9918 -27.9918 -27.9701 -27.9701 -27.7050 -27.7050 0.8182 0.8182 0.8211 0.8211 4.8995 4.8995 6.3616 6.3616 6.5794 6.5794 7.7742 7.7742 7.8042 7.8042 8.8042 8.8042 8.9706 8.9706 9.9012 9.9012 9.9600 9.9600 10.5412 10.5412 11.1778 11.1778 11.1985 11.1985 k = 0.3333 0.5774 0.0405 ( 3267 PWs) bands (ev): -54.3747 -54.3747 -54.3273 -54.3273 -28.8046 -28.8046 -28.7463 -28.7463 -28.0178 -28.0178 -27.9909 -27.9909 -27.9703 -27.9703 -27.7062 -27.7062 0.8197 0.8197 0.8227 0.8227 4.9084 4.9084 6.3417 6.3417 6.5558 6.5558 7.7946 7.7946 7.8215 7.8215 8.7729 8.7729 8.9747 8.9747 9.9031 9.9031 9.9616 9.9616 10.5525 10.5525 11.1733 11.1733 11.1947 11.1947 k = 0.3333 0.5774 0.0541 ( 3279 PWs) bands (ev): -54.3744 -54.3744 -54.3275 -54.3275 -28.8041 -28.8041 -28.7464 -28.7464 -28.0176 -28.0176 -27.9896 -27.9896 -27.9705 -27.9705 -27.7079 -27.7079 0.8218 0.8218 0.8248 0.8248 4.9208 4.9208 6.3149 6.3149 6.5246 6.5246 7.8215 7.8215 7.8447 7.8447 8.7292 8.7292 8.9821 8.9821 9.9056 9.9056 9.9637 9.9637 10.5667 10.5667 11.1669 11.1669 11.1893 11.1893 k = 0.3333 0.5774 0.0676 ( 3276 PWs) bands (ev): -54.3741 -54.3741 -54.3279 -54.3279 -28.8035 -28.8035 -28.7466 -28.7466 -28.0173 -28.0173 -27.9881 -27.9881 -27.9709 -27.9709 -27.7100 -27.7100 0.8245 0.8245 0.8276 0.8276 4.9368 4.9368 6.2822 6.2822 6.4869 6.4869 7.8535 7.8535 7.8729 7.8729 8.6744 8.6744 8.9929 8.9929 9.9089 9.9089 9.9665 9.9665 10.5825 10.5825 11.1588 11.1588 11.1825 11.1825 k = 0.3333 0.5774 0.0811 ( 3276 PWs) bands (ev): -54.3737 -54.3737 -54.3282 -54.3282 -28.8027 -28.8027 -28.7468 -28.7468 -28.0169 -28.0169 -27.9861 -27.9861 -27.9712 -27.9712 -27.7126 -27.7126 0.8278 0.8278 0.8310 0.8310 4.9563 4.9563 6.2446 6.2446 6.4441 6.4441 7.8891 7.8891 7.9052 7.9052 8.6102 8.6102 9.0072 9.0072 9.9127 9.9127 9.9697 9.9697 10.5985 10.5985 11.1489 11.1489 11.1742 11.1742 k = 0.3333 0.5774 0.0946 ( 3276 PWs) bands (ev): -54.3733 -54.3733 -54.3287 -54.3287 -28.8018 -28.8018 -28.7471 -28.7471 -28.0164 -28.0164 -27.9839 -27.9839 -27.9717 -27.9717 -27.7157 -27.7157 0.8315 0.8315 0.8348 0.8348 4.9793 4.9793 6.2029 6.2029 6.3974 6.3974 7.9268 7.9268 7.9407 7.9407 8.5385 8.5385 9.0246 9.0246 9.9172 9.9172 9.9735 9.9735 10.6136 10.6136 11.1372 11.1372 11.1644 11.1644 k = 0.3333 0.5774 0.1081 ( 3270 PWs) bands (ev): -54.3728 -54.3728 -54.3292 -54.3292 -28.8008 -28.8008 -28.7474 -28.7474 -28.0159 -28.0159 -27.9813 -27.9813 -27.9722 -27.9722 -27.7192 -27.7192 0.8357 0.8357 0.8392 0.8392 5.0057 5.0057 6.1581 6.1581 6.3478 6.3478 7.9648 7.9648 7.9786 7.9786 8.4617 8.4617 9.0450 9.0450 9.9222 9.9222 9.9776 9.9776 10.6264 10.6264 11.1238 11.1238 11.1522 11.1522 k = 0.3333 0.5774 0.1216 ( 3270 PWs) bands (ev): -54.3722 -54.3722 -54.3298 -54.3298 -28.7996 -28.7996 -28.7478 -28.7478 -28.0154 -28.0154 -27.9783 -27.9783 -27.9728 -27.9728 -27.7231 -27.7231 0.8404 0.8404 0.8440 0.8440 5.0356 5.0356 6.1112 6.1112 6.2964 6.2964 8.0002 8.0002 8.0181 8.0181 8.3829 8.3829 9.0684 9.0684 9.9277 9.9277 9.9820 9.9820 10.6362 10.6362 11.1087 11.1087 11.1350 11.1350 k = 0.3333 0.5774 0.1352 ( 3273 PWs) bands (ev): -54.3716 -54.3716 -54.3304 -54.3304 -28.7984 -28.7984 -28.7482 -28.7482 -28.0147 -28.0147 -27.9750 -27.9750 -27.9734 -27.9734 -27.7274 -27.7274 0.8454 0.8454 0.8491 0.8491 5.0689 5.0689 6.0628 6.0628 6.2440 6.2440 8.0271 8.0271 8.0586 8.0586 8.3085 8.3085 9.0945 9.0945 9.9336 9.9336 9.9868 9.9868 10.6420 10.6420 11.0918 11.0918 11.1125 11.1125 k = 0.3333 0.5774 0.1487 ( 3273 PWs) bands (ev): -54.3709 -54.3709 -54.3311 -54.3311 -28.7970 -28.7970 -28.7486 -28.7486 -28.0140 -28.0140 -27.9741 -27.9741 -27.9714 -27.9714 -27.7322 -27.7322 0.8508 0.8508 0.8547 0.8547 5.1054 5.1054 6.0137 6.0137 6.1912 6.1912 8.0308 8.0308 8.0994 8.0994 8.2537 8.2537 9.1234 9.1234 9.9399 9.9399 9.9917 9.9917 10.6435 10.6435 11.0736 11.0736 11.0887 11.0887 k = 0.3333 0.5774 0.1622 ( 3267 PWs) bands (ev): -54.3701 -54.3701 -54.3319 -54.3319 -28.7956 -28.7956 -28.7491 -28.7491 -28.0133 -28.0133 -27.9749 -27.9749 -27.9674 -27.9674 -27.7373 -27.7373 0.8564 0.8564 0.8605 0.8605 5.1453 5.1453 5.9644 5.9644 6.1388 6.1388 7.9915 7.9915 8.1402 8.1402 8.2384 8.2384 9.1549 9.1549 9.9465 9.9465 9.9966 9.9966 10.6403 10.6403 11.0544 11.0544 11.0650 11.0650 k = 0.3333 0.5774 0.1757 ( 3264 PWs) bands (ev): -54.3693 -54.3693 -54.3327 -54.3327 -28.7941 -28.7941 -28.7497 -28.7497 -28.0124 -28.0124 -27.9757 -27.9757 -27.9632 -27.9632 -27.7427 -27.7427 0.8622 0.8622 0.8665 0.8665 5.1884 5.1884 5.9155 5.9155 6.0872 6.0872 7.9168 7.9168 8.1804 8.1804 8.2554 8.2554 9.1889 9.1889 9.9532 9.9532 10.0017 10.0017 10.6320 10.6320 11.0348 11.0348 11.0419 11.0419 k = 0.3333 0.5774 0.1892 ( 3264 PWs) bands (ev): -54.3684 -54.3684 -54.3336 -54.3336 -28.7925 -28.7925 -28.7503 -28.7503 -28.0116 -28.0116 -27.9766 -27.9766 -27.9586 -27.9586 -27.7485 -27.7485 0.8682 0.8682 0.8727 0.8727 5.2346 5.2346 5.8675 5.8675 6.0370 6.0370 7.8259 7.8259 8.2197 8.2197 8.2857 8.2857 9.2253 9.2253 9.9601 9.9601 10.0066 10.0066 10.6188 10.6188 11.0152 11.0152 11.0198 11.0198 k = 0.3333 0.5774 0.2027 ( 3258 PWs) bands (ev): -54.3675 -54.3675 -54.3345 -54.3345 -28.7909 -28.7909 -28.7510 -28.7510 -28.0107 -28.0107 -27.9775 -27.9775 -27.9537 -27.9537 -27.7546 -27.7546 0.8743 0.8743 0.8789 0.8789 5.2838 5.2838 5.8208 5.8208 5.9886 5.9886 7.7281 7.7281 8.2578 8.2578 8.3204 8.3204 9.2641 9.2641 9.9670 9.9670 10.0114 10.0114 10.6006 10.6006 10.9959 10.9959 10.9988 10.9988 k = 0.3333 0.5774 0.2163 ( 3264 PWs) bands (ev): -54.3665 -54.3665 -54.3355 -54.3355 -28.7892 -28.7892 -28.7517 -28.7517 -28.0097 -28.0097 -27.9785 -27.9785 -27.9485 -27.9485 -27.7610 -27.7610 0.8803 0.8803 0.8852 0.8852 5.3358 5.3358 5.7758 5.7758 5.9426 5.9426 7.6270 7.6270 8.2944 8.2944 8.3560 8.3560 9.3052 9.3052 9.9739 9.9739 10.0160 10.0160 10.5775 10.5775 10.9773 10.9773 10.9791 10.9791 k = 0.3333 0.5774 0.2298 ( 3282 PWs) bands (ev): -54.3656 -54.3656 -54.3365 -54.3365 -28.7875 -28.7875 -28.7525 -28.7525 -28.0087 -28.0087 -27.9795 -27.9795 -27.9430 -27.9430 -27.7677 -27.7677 0.8863 0.8863 0.8913 0.8913 5.3904 5.3904 5.7328 5.7328 5.8993 5.8993 7.5241 7.5241 8.3293 8.3293 8.3911 8.3911 9.3483 9.3483 9.9807 9.9807 10.0203 10.0203 10.5499 10.5499 10.9596 10.9596 10.9607 10.9607 k = 0.3333 0.5774 0.2433 ( 3276 PWs) bands (ev): -54.3645 -54.3645 -54.3376 -54.3376 -28.7857 -28.7857 -28.7533 -28.7533 -28.0076 -28.0076 -27.9806 -27.9806 -27.9372 -27.9372 -27.7746 -27.7746 0.8921 0.8921 0.8974 0.8974 5.4471 5.4471 5.6922 5.6922 5.8596 5.8596 7.4206 7.4206 8.3623 8.3623 8.4249 8.4249 9.3935 9.3935 9.9872 9.9872 10.0242 10.0242 10.5179 10.5179 10.9429 10.9429 10.9437 10.9437 k = 0.3333 0.5774 0.2568 ( 3261 PWs) bands (ev): -54.3634 -54.3634 -54.3386 -54.3386 -28.7839 -28.7839 -28.7542 -28.7542 -28.0065 -28.0065 -27.9817 -27.9817 -27.9312 -27.9312 -27.7817 -27.7817 0.8978 0.8978 0.9032 0.9032 5.5051 5.5051 5.6543 5.6543 5.8244 5.8244 7.3168 7.3168 8.3931 8.3931 8.4568 8.4568 9.4406 9.4406 9.9935 9.9935 10.0278 10.0278 10.4821 10.4821 10.9274 10.9274 10.9284 10.9284 k = 0.3333 0.5774 0.2703 ( 3282 PWs) bands (ev): -54.3623 -54.3623 -54.3398 -54.3398 -28.7821 -28.7821 -28.7552 -28.7552 -28.0054 -28.0054 -27.9828 -27.9828 -27.9249 -27.9249 -27.7891 -27.7891 0.9031 0.9031 0.9087 0.9087 5.5621 5.5621 5.6192 5.6192 5.7960 5.7960 7.2135 7.2135 8.4216 8.4216 8.4867 8.4867 9.4894 9.4894 9.9995 9.9995 10.0309 10.0309 10.4425 10.4425 10.9131 10.9131 10.9147 10.9147 k = 0.3333 0.5774 0.2838 ( 3282 PWs) bands (ev): -54.3611 -54.3611 -54.3409 -54.3409 -28.7803 -28.7803 -28.7562 -28.7562 -28.0042 -28.0042 -27.9840 -27.9840 -27.9183 -27.9183 -27.7966 -27.7966 0.9081 0.9081 0.9139 0.9139 5.5872 5.5872 5.6123 5.6123 5.7805 5.7805 7.1109 7.1109 8.4476 8.4476 8.5140 8.5140 9.5398 9.5398 10.0049 10.0049 10.0336 10.0336 10.3996 10.3996 10.9002 10.9002 10.9028 10.9028 k = 0.3333 0.5774 0.2973 ( 3276 PWs) bands (ev): -54.3599 -54.3599 -54.3421 -54.3421 -28.7785 -28.7785 -28.7573 -28.7573 -28.0030 -28.0030 -27.9852 -27.9852 -27.9116 -27.9116 -27.8042 -27.8042 0.9127 0.9127 0.9186 0.9186 5.5585 5.5585 5.6419 5.6419 5.7916 5.7916 7.0094 7.0094 8.4710 8.4710 8.5388 8.5388 9.5917 9.5917 10.0100 10.0100 10.0358 10.0358 10.3539 10.3539 10.8888 10.8888 10.8926 10.8926 k = 0.3333 0.5774 0.3109 ( 3276 PWs) bands (ev): -54.3587 -54.3587 -54.3434 -54.3434 -28.7767 -28.7767 -28.7584 -28.7584 -28.0018 -28.0018 -27.9864 -27.9864 -27.9046 -27.9046 -27.8120 -27.8120 0.9168 0.9168 0.9229 0.9229 5.5333 5.5333 5.6446 5.6446 5.8356 5.8356 6.9094 6.9094 8.4916 8.4916 8.5607 8.5607 9.6449 9.6449 10.0144 10.0144 10.0376 10.0376 10.3056 10.3056 10.8790 10.8790 10.8842 10.8842 k = 0.3333 0.5774 0.3244 ( 3282 PWs) bands (ev): -54.3575 -54.3575 -54.3446 -54.3446 -28.7750 -28.7750 -28.7596 -28.7596 -28.0006 -28.0006 -27.9877 -27.9877 -27.8974 -27.8974 -27.8198 -27.8198 0.9204 0.9204 0.9266 0.9266 5.5117 5.5117 5.6345 5.6345 5.8982 5.8982 6.8114 6.8114 8.5093 8.5093 8.5795 8.5795 9.6992 9.6992 10.0182 10.0182 10.0390 10.0390 10.2551 10.2551 10.8707 10.8707 10.8776 10.8776 k = 0.3333 0.5774 0.3379 ( 3267 PWs) bands (ev): -54.3562 -54.3562 -54.3459 -54.3459 -28.7732 -28.7732 -28.7609 -28.7609 -27.9993 -27.9993 -27.9889 -27.9889 -27.8901 -27.8901 -27.8277 -27.8277 0.9234 0.9234 0.9297 0.9297 5.4939 5.4939 5.6220 5.6220 5.9686 5.9686 6.7160 6.7160 8.5239 8.5239 8.5951 8.5951 9.7544 9.7544 10.0214 10.0214 10.0400 10.0400 10.2029 10.2029 10.8641 10.8641 10.8726 10.8726 k = 0.3333 0.5774 0.3514 ( 3276 PWs) bands (ev): -54.3549 -54.3549 -54.3472 -54.3472 -28.7715 -28.7715 -28.7623 -28.7623 -27.9980 -27.9980 -27.9902 -27.9902 -27.8826 -27.8826 -27.8356 -27.8356 0.9257 0.9257 0.9321 0.9321 5.4799 5.4799 5.6107 5.6107 6.0422 6.0422 6.6243 6.6243 8.5354 8.5354 8.6074 8.6074 9.8102 9.8102 10.0240 10.0240 10.0404 10.0404 10.1494 10.1494 10.8591 10.8591 10.8691 10.8691 k = 0.3333 0.5774 0.3649 ( 3282 PWs) bands (ev): -54.3536 -54.3536 -54.3485 -54.3485 -28.7698 -28.7698 -28.7637 -28.7637 -27.9967 -27.9967 -27.9915 -27.9915 -27.8750 -27.8750 -27.8436 -27.8436 0.9274 0.9274 0.9339 0.9339 5.4698 5.4698 5.6021 5.6021 6.1150 6.1150 6.5390 6.5390 8.5437 8.5437 8.6163 8.6163 9.8665 9.8665 10.0258 10.0258 10.0398 10.0398 10.0957 10.0957 10.8555 10.8555 10.8669 10.8669 k = 0.3333 0.5774 0.3784 ( 3279 PWs) bands (ev): -54.3523 -54.3523 -54.3498 -54.3498 -28.7682 -28.7682 -28.7651 -28.7651 -27.9954 -27.9954 -27.9928 -27.9928 -27.8672 -27.8672 -27.8515 -27.8515 0.9285 0.9285 0.9350 0.9350 5.4638 5.4638 5.5968 5.5968 6.1788 6.1788 6.4678 6.4678 8.5487 8.5487 8.6216 8.6216 9.9228 9.9228 10.0269 10.0269 10.0279 10.0279 10.0524 10.0524 10.8535 10.8535 10.8657 10.8657 k = 0.3333 0.5774 0.3920 ( 3288 PWs) bands (ev): -54.3511 -54.3511 -54.3511 -54.3511 -28.7667 -28.7667 -28.7666 -28.7666 -27.9942 -27.9942 -27.9940 -27.9940 -27.8595 -27.8595 -27.8594 -27.8594 0.9288 0.9288 0.9353 0.9353 5.4618 5.4618 5.5950 5.5950 6.2088 6.2088 6.4354 6.4354 8.5503 8.5503 8.6234 8.6234 9.9778 9.9778 9.9792 9.9792 10.0272 10.0272 10.0464 10.0464 10.8528 10.8528 10.8653 10.8653 Writing output data file VSb.save init_run : 0.40s CPU 0.62s WALL ( 1 calls) electrons : 134.96s CPU 137.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 134.96s CPU 137.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 332 calls) cegterg : 124.63s CPU 126.44s WALL ( 525 calls) Called by sum_band: Called by *egterg: h_psi : 71.96s CPU 73.92s WALL ( 8195 calls) s_psi : 4.91s CPU 4.85s WALL ( 8195 calls) g_psi : 0.12s CPU 0.19s WALL ( 7338 calls) cdiaghg : 42.72s CPU 42.54s WALL ( 7670 calls) cegterg:over : 4.43s CPU 4.57s WALL ( 7338 calls) cegterg:upda : 3.60s CPU 3.67s WALL ( 7338 calls) cegterg:last : 2.07s CPU 2.18s WALL ( 1496 calls) cdiaghg:chol : 2.14s CPU 2.42s WALL ( 7670 calls) cdiaghg:inve : 1.22s CPU 1.34s WALL ( 7670 calls) cdiaghg:para : 2.54s CPU 2.47s WALL ( 15340 calls) Called by h_psi: h_psi:vloc : 60.92s CPU 62.92s WALL ( 8195 calls) h_psi:vnl : 10.86s CPU 10.83s WALL ( 8195 calls) add_vuspsi : 5.55s CPU 5.68s WALL ( 8195 calls) General routines calbec : 5.28s CPU 5.13s WALL ( 8195 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.90s CPU 54.40s WALL ( 812784 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.20s WALL ( 664 calls) Parallel routines fft_scatter : 21.24s CPU 21.71s WALL ( 812807 calls) PWSCF : 2m27.40s CPU 2m45.12s WALL This run was terminated on: 21:15:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=