Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:33:21 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: ./NbGeSb.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 20 6 1550 930 154 Max 29 21 7 1559 961 163 Sum 1041 749 221 56073 34241 5641 bravais-lattice index = 14 lattice parameter (alat) = 6.9986 a.u. unit-cell volume = 760.4877 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.998600 celldm(2)= 1.000000 celldm(3)= 2.218496 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.218496 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.450756 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 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 1227 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. # 3 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Nb 13.00 92.90640 Nb( 1.00) Sb 5.00 121.76000 Sb( 1.00) 16 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 =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0027701 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0027701 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0027701 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0027701 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0027701 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0027701 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0027701 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0027701 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0027701 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0027701 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0027701 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0027701 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0027701 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0027701 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0027701 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0027701 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0027701 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0027701 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027701 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0027701 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0027701 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0027701 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0027701 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027701 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0027701 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0027701 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0027701 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0027701 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0027701 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0027701 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0027701 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0027701 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027701 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0027701 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0027701 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0027701 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0027701 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0027701 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0027701 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0027701 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0027701 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0027701 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0027701 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027701 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0027701 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0027701 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0027701 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0027701 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0027701 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0027701 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0027701 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0027701 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0027701 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.0112689), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.0225378), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.0338067), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.0450756), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.0563445), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.0676134), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.0788823), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.0901512), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.1014201), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.1126890), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.1239579), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.1352267), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.1464956), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.1577645), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.1690334), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.1803023), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.1915712), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.2028401), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.2141090), wk = 0.0027701 k( 170) = ( 0.0000000 0.0000000 0.2253779), wk = 0.0027701 k( 171) = ( 0.0000000 0.0000000 0.2253779), wk = 0.0027701 k( 172) = ( 0.0000000 0.0116279 0.2253779), wk = 0.0027701 k( 173) = ( 0.0000000 0.0232558 0.2253779), wk = 0.0027701 k( 174) = ( 0.0000000 0.0348837 0.2253779), wk = 0.0027701 k( 175) = ( 0.0000000 0.0465116 0.2253779), wk = 0.0027701 k( 176) = ( 0.0000000 0.0581395 0.2253779), wk = 0.0027701 k( 177) = ( 0.0000000 0.0697674 0.2253779), wk = 0.0027701 k( 178) = ( 0.0000000 0.0813954 0.2253779), wk = 0.0027701 k( 179) = ( 0.0000000 0.0930233 0.2253779), wk = 0.0027701 k( 180) = ( 0.0000000 0.1046512 0.2253779), wk = 0.0027701 k( 181) = ( 0.0000000 0.1162791 0.2253779), wk = 0.0027701 k( 182) = ( 0.0000000 0.1279070 0.2253779), wk = 0.0027701 k( 183) = ( 0.0000000 0.1395349 0.2253779), wk = 0.0027701 k( 184) = ( 0.0000000 0.1511628 0.2253779), wk = 0.0027701 k( 185) = ( 0.0000000 0.1627907 0.2253779), wk = 0.0027701 k( 186) = ( 0.0000000 0.1744186 0.2253779), wk = 0.0027701 k( 187) = ( 0.0000000 0.1860465 0.2253779), wk = 0.0027701 k( 188) = ( 0.0000000 0.1976744 0.2253779), wk = 0.0027701 k( 189) = ( 0.0000000 0.2093023 0.2253779), wk = 0.0027701 k( 190) = ( 0.0000000 0.2209302 0.2253779), wk = 0.0027701 k( 191) = ( 0.0000000 0.2325581 0.2253779), wk = 0.0027701 k( 192) = ( 0.0000000 0.2441860 0.2253779), wk = 0.0027701 k( 193) = ( 0.0000000 0.2558140 0.2253779), wk = 0.0027701 k( 194) = ( 0.0000000 0.2674419 0.2253779), wk = 0.0027701 k( 195) = ( 0.0000000 0.2790698 0.2253779), wk = 0.0027701 k( 196) = ( 0.0000000 0.2906977 0.2253779), wk = 0.0027701 k( 197) = ( 0.0000000 0.3023256 0.2253779), wk = 0.0027701 k( 198) = ( 0.0000000 0.3139535 0.2253779), wk = 0.0027701 k( 199) = ( 0.0000000 0.3255814 0.2253779), wk = 0.0027701 k( 200) = ( 0.0000000 0.3372093 0.2253779), wk = 0.0027701 k( 201) = ( 0.0000000 0.3488372 0.2253779), wk = 0.0027701 k( 202) = ( 0.0000000 0.3604651 0.2253779), wk = 0.0027701 k( 203) = ( 0.0000000 0.3720930 0.2253779), wk = 0.0027701 k( 204) = ( 0.0000000 0.3837209 0.2253779), wk = 0.0027701 k( 205) = ( 0.0000000 0.3953488 0.2253779), wk = 0.0027701 k( 206) = ( 0.0000000 0.4069767 0.2253779), wk = 0.0027701 k( 207) = ( 0.0000000 0.4186047 0.2253779), wk = 0.0027701 k( 208) = ( 0.0000000 0.4302326 0.2253779), wk = 0.0027701 k( 209) = ( 0.0000000 0.4418605 0.2253779), wk = 0.0027701 k( 210) = ( 0.0000000 0.4534884 0.2253779), wk = 0.0027701 k( 211) = ( 0.0000000 0.4651163 0.2253779), wk = 0.0027701 k( 212) = ( 0.0000000 0.4767442 0.2253779), wk = 0.0027701 k( 213) = ( 0.0000000 0.4883721 0.2253779), wk = 0.0027701 k( 214) = ( 0.0000000 0.5000000 0.2253779), wk = 0.0027701 k( 215) = ( 0.0000000 0.5000000 0.2253779), wk = 0.0027701 k( 216) = ( 0.0116279 0.5000000 0.2253779), wk = 0.0027701 k( 217) = ( 0.0232558 0.5000000 0.2253779), wk = 0.0027701 k( 218) = ( 0.0348837 0.5000000 0.2253779), wk = 0.0027701 k( 219) = ( 0.0465116 0.5000000 0.2253779), wk = 0.0027701 k( 220) = ( 0.0581395 0.5000000 0.2253779), wk = 0.0027701 k( 221) = ( 0.0697674 0.5000000 0.2253779), wk = 0.0027701 k( 222) = ( 0.0813954 0.5000000 0.2253779), wk = 0.0027701 k( 223) = ( 0.0930233 0.5000000 0.2253779), wk = 0.0027701 k( 224) = ( 0.1046512 0.5000000 0.2253779), wk = 0.0027701 k( 225) = ( 0.1162791 0.5000000 0.2253779), wk = 0.0027701 k( 226) = ( 0.1279070 0.5000000 0.2253779), wk = 0.0027701 k( 227) = ( 0.1395349 0.5000000 0.2253779), wk = 0.0027701 k( 228) = ( 0.1511628 0.5000000 0.2253779), wk = 0.0027701 k( 229) = ( 0.1627907 0.5000000 0.2253779), wk = 0.0027701 k( 230) = ( 0.1744186 0.5000000 0.2253779), wk = 0.0027701 k( 231) = ( 0.1860465 0.5000000 0.2253779), wk = 0.0027701 k( 232) = ( 0.1976744 0.5000000 0.2253779), wk = 0.0027701 k( 233) = ( 0.2093023 0.5000000 0.2253779), wk = 0.0027701 k( 234) = ( 0.2209302 0.5000000 0.2253779), wk = 0.0027701 k( 235) = ( 0.2325581 0.5000000 0.2253779), wk = 0.0027701 k( 236) = ( 0.2441860 0.5000000 0.2253779), wk = 0.0027701 k( 237) = ( 0.2558140 0.5000000 0.2253779), wk = 0.0027701 k( 238) = ( 0.2674419 0.5000000 0.2253779), wk = 0.0027701 k( 239) = ( 0.2790698 0.5000000 0.2253779), wk = 0.0027701 k( 240) = ( 0.2906977 0.5000000 0.2253779), wk = 0.0027701 k( 241) = ( 0.3023256 0.5000000 0.2253779), wk = 0.0027701 k( 242) = ( 0.3139535 0.5000000 0.2253779), wk = 0.0027701 k( 243) = ( 0.3255814 0.5000000 0.2253779), wk = 0.0027701 k( 244) = ( 0.3372093 0.5000000 0.2253779), wk = 0.0027701 k( 245) = ( 0.3488372 0.5000000 0.2253779), wk = 0.0027701 k( 246) = ( 0.3604651 0.5000000 0.2253779), wk = 0.0027701 k( 247) = ( 0.3720930 0.5000000 0.2253779), wk = 0.0027701 k( 248) = ( 0.3837209 0.5000000 0.2253779), wk = 0.0027701 k( 249) = ( 0.3953488 0.5000000 0.2253779), wk = 0.0027701 k( 250) = ( 0.4069767 0.5000000 0.2253779), wk = 0.0027701 k( 251) = ( 0.4186047 0.5000000 0.2253779), wk = 0.0027701 k( 252) = ( 0.4302326 0.5000000 0.2253779), wk = 0.0027701 k( 253) = ( 0.4418605 0.5000000 0.2253779), wk = 0.0027701 k( 254) = ( 0.4534884 0.5000000 0.2253779), wk = 0.0027701 k( 255) = ( 0.4651163 0.5000000 0.2253779), wk = 0.0027701 k( 256) = ( 0.4767442 0.5000000 0.2253779), wk = 0.0027701 k( 257) = ( 0.4883721 0.5000000 0.2253779), wk = 0.0027701 k( 258) = ( 0.5000000 0.5000000 0.2253779), wk = 0.0027701 k( 259) = ( 0.5000000 0.5000000 0.2253779), wk = 0.0027701 k( 260) = ( 0.4916667 0.4916667 0.2253779), wk = 0.0027701 k( 261) = ( 0.4833333 0.4833333 0.2253779), wk = 0.0027701 k( 262) = ( 0.4750000 0.4750000 0.2253779), wk = 0.0027701 k( 263) = ( 0.4666667 0.4666667 0.2253779), wk = 0.0027701 k( 264) = ( 0.4583333 0.4583333 0.2253779), wk = 0.0027701 k( 265) = ( 0.4500000 0.4500000 0.2253779), wk = 0.0027701 k( 266) = ( 0.4416667 0.4416667 0.2253779), wk = 0.0027701 k( 267) = ( 0.4333333 0.4333333 0.2253779), wk = 0.0027701 k( 268) = ( 0.4250000 0.4250000 0.2253779), wk = 0.0027701 k( 269) = ( 0.4166667 0.4166667 0.2253779), wk = 0.0027701 k( 270) = ( 0.4083333 0.4083333 0.2253779), wk = 0.0027701 k( 271) = ( 0.4000000 0.4000000 0.2253779), wk = 0.0027701 k( 272) = ( 0.3916667 0.3916667 0.2253779), wk = 0.0027701 k( 273) = ( 0.3833333 0.3833333 0.2253779), wk = 0.0027701 k( 274) = ( 0.3750000 0.3750000 0.2253779), wk = 0.0027701 k( 275) = ( 0.3666667 0.3666667 0.2253779), wk = 0.0027701 k( 276) = ( 0.3583333 0.3583333 0.2253779), wk = 0.0027701 k( 277) = ( 0.3500000 0.3500000 0.2253779), wk = 0.0027701 k( 278) = ( 0.3416667 0.3416667 0.2253779), wk = 0.0027701 k( 279) = ( 0.3333333 0.3333333 0.2253779), wk = 0.0027701 k( 280) = ( 0.3250000 0.3250000 0.2253779), wk = 0.0027701 k( 281) = ( 0.3166667 0.3166667 0.2253779), wk = 0.0027701 k( 282) = ( 0.3083333 0.3083333 0.2253779), wk = 0.0027701 k( 283) = ( 0.3000000 0.3000000 0.2253779), wk = 0.0027701 k( 284) = ( 0.2916667 0.2916667 0.2253779), wk = 0.0027701 k( 285) = ( 0.2833333 0.2833333 0.2253779), wk = 0.0027701 k( 286) = ( 0.2750000 0.2750000 0.2253779), wk = 0.0027701 k( 287) = ( 0.2666667 0.2666667 0.2253779), wk = 0.0027701 k( 288) = ( 0.2583333 0.2583333 0.2253779), wk = 0.0027701 k( 289) = ( 0.2500000 0.2500000 0.2253779), wk = 0.0027701 k( 290) = ( 0.2416667 0.2416667 0.2253779), wk = 0.0027701 k( 291) = ( 0.2333333 0.2333333 0.2253779), wk = 0.0027701 k( 292) = ( 0.2250000 0.2250000 0.2253779), wk = 0.0027701 k( 293) = ( 0.2166667 0.2166667 0.2253779), wk = 0.0027701 k( 294) = ( 0.2083333 0.2083333 0.2253779), wk = 0.0027701 k( 295) = ( 0.2000000 0.2000000 0.2253779), wk = 0.0027701 k( 296) = ( 0.1916667 0.1916667 0.2253779), wk = 0.0027701 k( 297) = ( 0.1833333 0.1833333 0.2253779), wk = 0.0027701 k( 298) = ( 0.1750000 0.1750000 0.2253779), wk = 0.0027701 k( 299) = ( 0.1666667 0.1666667 0.2253779), wk = 0.0027701 k( 300) = ( 0.1583333 0.1583333 0.2253779), wk = 0.0027701 k( 301) = ( 0.1500000 0.1500000 0.2253779), wk = 0.0027701 k( 302) = ( 0.1416667 0.1416667 0.2253779), wk = 0.0027701 k( 303) = ( 0.1333333 0.1333333 0.2253779), wk = 0.0027701 k( 304) = ( 0.1250000 0.1250000 0.2253779), wk = 0.0027701 k( 305) = ( 0.1166667 0.1166667 0.2253779), wk = 0.0027701 k( 306) = ( 0.1083333 0.1083333 0.2253779), wk = 0.0027701 k( 307) = ( 0.1000000 0.1000000 0.2253779), wk = 0.0027701 k( 308) = ( 0.0916667 0.0916667 0.2253779), wk = 0.0027701 k( 309) = ( 0.0833333 0.0833333 0.2253779), wk = 0.0027701 k( 310) = ( 0.0750000 0.0750000 0.2253779), wk = 0.0027701 k( 311) = ( 0.0666667 0.0666667 0.2253779), wk = 0.0027701 k( 312) = ( 0.0583333 0.0583333 0.2253779), wk = 0.0027701 k( 313) = ( 0.0500000 0.0500000 0.2253779), wk = 0.0027701 k( 314) = ( 0.0416667 0.0416667 0.2253779), wk = 0.0027701 k( 315) = ( 0.0333333 0.0333333 0.2253779), wk = 0.0027701 k( 316) = ( 0.0250000 0.0250000 0.2253779), wk = 0.0027701 k( 317) = ( 0.0166667 0.0166667 0.2253779), wk = 0.0027701 k( 318) = ( 0.0083333 0.0083333 0.2253779), wk = 0.0027701 k( 319) = ( 0.0000000 0.0000000 0.2253779), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.0112689), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.0225378), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.0338067), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.0450756), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.0563445), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.0676134), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.0788823), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.0901512), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.1014201), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.1126890), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.1239579), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.1352267), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.1464956), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.1577645), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.1690334), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.1803023), wk = 0.0027701 k( 337) = ( 0.0000000 0.5000000 0.1915712), wk = 0.0027701 k( 338) = ( 0.0000000 0.5000000 0.2028401), wk = 0.0027701 k( 339) = ( 0.0000000 0.5000000 0.2141090), wk = 0.0027701 k( 340) = ( 0.0000000 0.5000000 0.2253779), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.0112689), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.0225378), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.0338067), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.0450756), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.0563445), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.0676134), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.0788823), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.0901512), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.1014201), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.1126890), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.1239579), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.1352267), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.1464956), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.1577645), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.1690334), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.1803023), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.1915712), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.2028401), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.2141090), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.2253779), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0027701 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0027701 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0027701 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0027701 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0027701 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0027701 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0027701 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0027701 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0027701 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0027701 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0027701 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0027701 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0027701 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0027701 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0027701 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0027701 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0027701 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0027701 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0027701 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0027701 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0027701 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0027701 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0027701 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0027701 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0027701 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0027701 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0027701 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0027701 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0027701 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0027701 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0027701 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0027701 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0027701 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0027701 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0027701 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0027701 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0027701 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0027701 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0027701 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0027701 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0027701 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0027701 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0027701 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0027701 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0027701 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0027701 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0027701 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0027701 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0027701 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0027701 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0027701 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0027701 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0027701 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0027701 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0027701 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0027701 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0027701 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0027701 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0027701 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0027701 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0027701 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0027701 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0027701 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0027701 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0027701 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0027701 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0027701 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0027701 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0027701 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0027701 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0027701 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0027701 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0027701 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0027701 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0027701 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0027701 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0027701 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0027701 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0027701 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0027701 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0027701 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0027701 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0027701 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0027701 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0027701 k( 91) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0027701 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0027701 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0027701 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0027701 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0027701 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0027701 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0027701 k( 98) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0027701 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0027701 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0027701 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0027701 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0027701 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0027701 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027701 k( 105) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0027701 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0027701 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0027701 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0027701 k( 109) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027701 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0027701 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0027701 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0027701 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0027701 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0027701 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0027701 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0027701 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0027701 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0027701 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027701 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0027701 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0027701 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0027701 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0027701 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0027701 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0027701 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0027701 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0027701 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0027701 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027701 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0027701 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0027701 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0027701 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0027701 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027701 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0027701 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0027701 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0027701 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0027701 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0027701 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0027701 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0027701 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0027701 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0027701 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0027701 k( 145) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0027701 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0027701 k( 147) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0027701 k( 148) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0027701 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 151) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0027701 k( 152) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0027701 k( 153) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0027701 k( 154) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027701 k( 155) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027701 k( 156) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0027701 k( 157) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0027701 k( 158) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027701 k( 159) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0027701 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027701 k( 161) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0027701 k( 162) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027701 k( 163) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0027701 k( 164) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0027701 k( 165) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027701 k( 166) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027701 k( 167) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0027701 k( 168) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0027701 k( 169) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0027701 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 172) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0027701 k( 173) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0027701 k( 174) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0027701 k( 175) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0027701 k( 176) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0027701 k( 177) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0027701 k( 178) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0027701 k( 179) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0027701 k( 180) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0027701 k( 181) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0027701 k( 183) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0027701 k( 184) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0027701 k( 185) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0027701 k( 186) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0027701 k( 187) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0027701 k( 188) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0027701 k( 189) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0027701 k( 190) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0027701 k( 191) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0027701 k( 192) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0027701 k( 193) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0027701 k( 194) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0027701 k( 195) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0027701 k( 196) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0027701 k( 197) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0027701 k( 198) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0027701 k( 199) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0027701 k( 200) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0027701 k( 201) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0027701 k( 202) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0027701 k( 203) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0027701 k( 204) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0027701 k( 205) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0027701 k( 206) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0027701 k( 207) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0027701 k( 208) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0027701 k( 209) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0027701 k( 210) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0027701 k( 211) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0027701 k( 212) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0027701 k( 213) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0027701 k( 214) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 215) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 216) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0027701 k( 217) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0027701 k( 218) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0027701 k( 219) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0027701 k( 220) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0027701 k( 221) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0027701 k( 222) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0027701 k( 223) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0027701 k( 224) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0027701 k( 225) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0027701 k( 226) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0027701 k( 227) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0027701 k( 228) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0027701 k( 229) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0027701 k( 230) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0027701 k( 231) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0027701 k( 232) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0027701 k( 233) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0027701 k( 234) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0027701 k( 235) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0027701 k( 236) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0027701 k( 237) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0027701 k( 238) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0027701 k( 239) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0027701 k( 240) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0027701 k( 241) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0027701 k( 242) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0027701 k( 243) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0027701 k( 244) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0027701 k( 245) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0027701 k( 246) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0027701 k( 247) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0027701 k( 248) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0027701 k( 249) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0027701 k( 250) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0027701 k( 251) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0027701 k( 252) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0027701 k( 253) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0027701 k( 254) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0027701 k( 255) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0027701 k( 256) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0027701 k( 257) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0027701 k( 258) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 259) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 260) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0027701 k( 261) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0027701 k( 262) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0027701 k( 263) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0027701 k( 264) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0027701 k( 265) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0027701 k( 266) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0027701 k( 267) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0027701 k( 268) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0027701 k( 269) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0027701 k( 270) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0027701 k( 271) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0027701 k( 272) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0027701 k( 273) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0027701 k( 274) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0027701 k( 275) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0027701 k( 276) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0027701 k( 277) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0027701 k( 278) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0027701 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027701 k( 280) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0027701 k( 281) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0027701 k( 282) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0027701 k( 283) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0027701 k( 284) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0027701 k( 285) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0027701 k( 286) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0027701 k( 287) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0027701 k( 288) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0027701 k( 289) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027701 k( 290) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0027701 k( 291) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0027701 k( 292) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0027701 k( 293) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0027701 k( 294) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0027701 k( 295) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0027701 k( 296) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0027701 k( 297) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0027701 k( 298) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0027701 k( 299) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027701 k( 300) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0027701 k( 301) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0027701 k( 302) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0027701 k( 303) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0027701 k( 304) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027701 k( 305) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0027701 k( 306) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0027701 k( 307) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0027701 k( 308) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0027701 k( 309) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0027701 k( 310) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0027701 k( 311) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0027701 k( 312) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0027701 k( 313) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0027701 k( 314) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0027701 k( 315) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0027701 k( 316) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0027701 k( 317) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0027701 k( 318) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0027701 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027701 k( 320) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027701 k( 321) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0027701 k( 322) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0027701 k( 323) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0027701 k( 324) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0027701 k( 325) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027701 k( 326) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0027701 k( 327) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0027701 k( 328) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0027701 k( 329) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0027701 k( 330) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027701 k( 331) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0027701 k( 332) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0027701 k( 333) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0027701 k( 334) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0027701 k( 335) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027701 k( 336) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0027701 k( 337) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0027701 k( 338) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0027701 k( 339) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0027701 k( 340) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027701 k( 341) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027701 k( 342) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0027701 k( 344) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0027701 k( 345) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0027701 k( 346) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027701 k( 347) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0027701 k( 348) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0027701 k( 349) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0027701 k( 350) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0027701 k( 351) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027701 k( 352) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0027701 k( 353) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0027701 k( 354) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0027701 k( 355) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0027701 k( 356) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027701 k( 357) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0027701 k( 358) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0027701 k( 359) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0027701 k( 360) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0027701 k( 361) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 Dense grid: 56073 G-vectors FFT dimensions: ( 40, 40, 81) Smooth grid: 34241 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 238, 52) NL pseudopotentials 0.30 Mb ( 119, 164) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1559) G-vector shells 0.01 Mb ( 770) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 238, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.26 Mb ( 164, 2, 52) The potential is recalculated from file : ./NbGeSb.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 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 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.6 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.4 secs Computing kpt #: 18 total cpu time spent up to now is 9.8 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 total cpu time spent up to now is 10.5 secs Computing kpt #: 21 total cpu time spent up to now is 10.9 secs Computing kpt #: 22 total cpu time spent up to now is 11.3 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.2 secs Computing kpt #: 28 total cpu time spent up to now is 13.6 secs Computing kpt #: 29 total cpu time spent up to now is 13.9 secs Computing kpt #: 30 total cpu time spent up to now is 14.3 secs Computing kpt #: 31 total cpu time spent up to now is 14.6 secs Computing kpt #: 32 total cpu time spent up to now is 15.0 secs Computing kpt #: 33 total cpu time spent up to now is 15.3 secs Computing kpt #: 34 total cpu time spent up to now is 15.7 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.3 secs Computing kpt #: 37 total cpu time spent up to now is 16.7 secs Computing kpt #: 38 total cpu time spent up to now is 17.0 secs Computing kpt #: 39 total cpu time spent up to now is 17.4 secs Computing kpt #: 40 total cpu time spent up to now is 17.7 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 18.4 secs Computing kpt #: 43 total cpu time spent up to now is 18.7 secs Computing kpt #: 44 total cpu time spent up to now is 19.0 secs Computing kpt #: 45 total cpu time spent up to now is 19.4 secs Computing kpt #: 46 total cpu time spent up to now is 19.7 secs Computing kpt #: 47 total cpu time spent up to now is 20.0 secs Computing kpt #: 48 total cpu time spent up to now is 20.3 secs Computing kpt #: 49 total cpu time spent up to now is 20.7 secs Computing kpt #: 50 total cpu time spent up to now is 21.0 secs Computing kpt #: 51 total cpu time spent up to now is 21.3 secs Computing kpt #: 52 total cpu time spent up to now is 21.7 secs Computing kpt #: 53 total cpu time spent up to now is 22.0 secs Computing kpt #: 54 total cpu time spent up to now is 22.4 secs Computing kpt #: 55 total cpu time spent up to now is 22.7 secs Computing kpt #: 56 total cpu time spent up to now is 23.0 secs Computing kpt #: 57 total cpu time spent up to now is 23.4 secs Computing kpt #: 58 total cpu time spent up to now is 23.7 secs Computing kpt #: 59 total cpu time spent up to now is 24.1 secs Computing kpt #: 60 total cpu time spent up to now is 24.4 secs Computing kpt #: 61 total cpu time spent up to now is 24.8 secs Computing kpt #: 62 total cpu time spent up to now is 25.1 secs Computing kpt #: 63 total cpu time spent up to now is 25.5 secs Computing kpt #: 64 total cpu time spent up to now is 25.8 secs Computing kpt #: 65 total cpu time spent up to now is 26.2 secs Computing kpt #: 66 total cpu time spent up to now is 26.6 secs Computing kpt #: 67 total cpu time spent up to now is 26.9 secs Computing kpt #: 68 total cpu time spent up to now is 27.3 secs Computing kpt #: 69 total cpu time spent up to now is 27.7 secs Computing kpt #: 70 total cpu time spent up to now is 28.0 secs Computing kpt #: 71 total cpu time spent up to now is 28.4 secs Computing kpt #: 72 total cpu time spent up to now is 28.8 secs Computing kpt #: 73 total cpu time spent up to now is 29.2 secs Computing kpt #: 74 total cpu time spent up to now is 29.6 secs Computing kpt #: 75 total cpu time spent up to now is 30.0 secs Computing kpt #: 76 total cpu time spent up to now is 30.3 secs Computing kpt #: 77 total cpu time spent up to now is 30.7 secs Computing kpt #: 78 total cpu time spent up to now is 31.1 secs Computing kpt #: 79 total cpu time spent up to now is 31.5 secs Computing kpt #: 80 total cpu time spent up to now is 31.8 secs Computing kpt #: 81 total cpu time spent up to now is 32.2 secs Computing kpt #: 82 total cpu time spent up to now is 32.6 secs Computing kpt #: 83 total cpu time spent up to now is 32.9 secs Computing kpt #: 84 total cpu time spent up to now is 33.3 secs Computing kpt #: 85 total cpu time spent up to now is 33.6 secs Computing kpt #: 86 total cpu time spent up to now is 34.0 secs Computing kpt #: 87 total cpu time spent up to now is 34.3 secs Computing kpt #: 88 total cpu time spent up to now is 34.7 secs Computing kpt #: 89 total cpu time spent up to now is 35.0 secs Computing kpt #: 90 total cpu time spent up to now is 35.3 secs Computing kpt #: 91 total cpu time spent up to now is 35.7 secs Computing kpt #: 92 total cpu time spent up to now is 36.0 secs Computing kpt #: 93 total cpu time spent up to now is 36.4 secs Computing kpt #: 94 total cpu time spent up to now is 36.7 secs Computing kpt #: 95 total cpu time spent up to now is 37.1 secs Computing kpt #: 96 total cpu time spent up to now is 37.4 secs Computing kpt #: 97 total cpu time spent up to now is 37.8 secs Computing kpt #: 98 total cpu time spent up to now is 38.2 secs Computing kpt #: 99 total cpu time spent up to now is 38.6 secs Computing kpt #: 100 total cpu time spent up to now is 39.0 secs Computing kpt #: 101 total cpu time spent up to now is 39.4 secs Computing kpt #: 102 total cpu time spent up to now is 39.8 secs Computing kpt #: 103 total cpu time spent up to now is 40.2 secs Computing kpt #: 104 total cpu time spent up to now is 40.6 secs Computing kpt #: 105 total cpu time spent up to now is 41.1 secs Computing kpt #: 106 total cpu time spent up to now is 41.5 secs Computing kpt #: 107 total cpu time spent up to now is 42.0 secs Computing kpt #: 108 total cpu time spent up to now is 42.4 secs Computing kpt #: 109 total cpu time spent up to now is 42.8 secs Computing kpt #: 110 total cpu time spent up to now is 43.2 secs Computing kpt #: 111 total cpu time spent up to now is 43.6 secs Computing kpt #: 112 total cpu time spent up to now is 44.0 secs Computing kpt #: 113 total cpu time spent up to now is 44.4 secs Computing kpt #: 114 total cpu time spent up to now is 44.7 secs Computing kpt #: 115 total cpu time spent up to now is 45.1 secs Computing kpt #: 116 total cpu time spent up to now is 45.4 secs Computing kpt #: 117 total cpu time spent up to now is 45.7 secs Computing kpt #: 118 total cpu time spent up to now is 46.1 secs Computing kpt #: 119 total cpu time spent up to now is 46.5 secs Computing kpt #: 120 total cpu time spent up to now is 46.8 secs Computing kpt #: 121 total cpu time spent up to now is 47.2 secs Computing kpt #: 122 total cpu time spent up to now is 47.6 secs Computing kpt #: 123 total cpu time spent up to now is 47.9 secs Computing kpt #: 124 total cpu time spent up to now is 48.3 secs Computing kpt #: 125 total cpu time spent up to now is 48.7 secs Computing kpt #: 126 total cpu time spent up to now is 49.2 secs Computing kpt #: 127 total cpu time spent up to now is 49.7 secs Computing kpt #: 128 total cpu time spent up to now is 50.2 secs Computing kpt #: 129 total cpu time spent up to now is 50.7 secs Computing kpt #: 130 total cpu time spent up to now is 51.2 secs Computing kpt #: 131 total cpu time spent up to now is 51.6 secs Computing kpt #: 132 total cpu time spent up to now is 52.0 secs Computing kpt #: 133 total cpu time spent up to now is 52.5 secs Computing kpt #: 134 total cpu time spent up to now is 52.9 secs Computing kpt #: 135 total cpu time spent up to now is 53.4 secs Computing kpt #: 136 total cpu time spent up to now is 53.8 secs Computing kpt #: 137 total cpu time spent up to now is 54.2 secs Computing kpt #: 138 total cpu time spent up to now is 54.6 secs Computing kpt #: 139 total cpu time spent up to now is 55.1 secs Computing kpt #: 140 total cpu time spent up to now is 55.4 secs Computing kpt #: 141 total cpu time spent up to now is 55.8 secs Computing kpt #: 142 total cpu time spent up to now is 56.2 secs Computing kpt #: 143 total cpu time spent up to now is 56.6 secs Computing kpt #: 144 total cpu time spent up to now is 57.0 secs Computing kpt #: 145 total cpu time spent up to now is 57.4 secs Computing kpt #: 146 total cpu time spent up to now is 57.7 secs Computing kpt #: 147 total cpu time spent up to now is 58.1 secs Computing kpt #: 148 total cpu time spent up to now is 58.4 secs Computing kpt #: 149 total cpu time spent up to now is 58.8 secs Computing kpt #: 150 total cpu time spent up to now is 59.1 secs Computing kpt #: 151 total cpu time spent up to now is 59.5 secs Computing kpt #: 152 total cpu time spent up to now is 59.8 secs Computing kpt #: 153 total cpu time spent up to now is 60.2 secs Computing kpt #: 154 total cpu time spent up to now is 60.5 secs Computing kpt #: 155 total cpu time spent up to now is 60.9 secs Computing kpt #: 156 total cpu time spent up to now is 61.3 secs Computing kpt #: 157 total cpu time spent up to now is 61.6 secs Computing kpt #: 158 total cpu time spent up to now is 62.0 secs Computing kpt #: 159 total cpu time spent up to now is 62.3 secs Computing kpt #: 160 total cpu time spent up to now is 62.7 secs Computing kpt #: 161 total cpu time spent up to now is 63.1 secs Computing kpt #: 162 total cpu time spent up to now is 63.4 secs Computing kpt #: 163 total cpu time spent up to now is 63.8 secs Computing kpt #: 164 total cpu time spent up to now is 64.2 secs Computing kpt #: 165 total cpu time spent up to now is 64.5 secs Computing kpt #: 166 total cpu time spent up to now is 64.9 secs Computing kpt #: 167 total cpu time spent up to now is 65.3 secs Computing kpt #: 168 total cpu time spent up to now is 65.8 secs Computing kpt #: 169 total cpu time spent up to now is 66.3 secs Computing kpt #: 170 total cpu time spent up to now is 66.7 secs Computing kpt #: 171 total cpu time spent up to now is 67.2 secs Computing kpt #: 172 total cpu time spent up to now is 67.6 secs Computing kpt #: 173 total cpu time spent up to now is 68.1 secs Computing kpt #: 174 total cpu time spent up to now is 68.5 secs Computing kpt #: 175 total cpu time spent up to now is 68.9 secs Computing kpt #: 176 total cpu time spent up to now is 69.3 secs Computing kpt #: 177 total cpu time spent up to now is 69.8 secs Computing kpt #: 178 total cpu time spent up to now is 70.2 secs Computing kpt #: 179 total cpu time spent up to now is 70.6 secs Computing kpt #: 180 total cpu time spent up to now is 71.0 secs Computing kpt #: 181 total cpu time spent up to now is 71.4 secs Computing kpt #: 182 total cpu time spent up to now is 71.9 secs Computing kpt #: 183 total cpu time spent up to now is 72.3 secs Computing kpt #: 184 total cpu time spent up to now is 72.7 secs Computing kpt #: 185 total cpu time spent up to now is 73.2 secs Computing kpt #: 186 total cpu time spent up to now is 73.6 secs Computing kpt #: 187 total cpu time spent up to now is 74.0 secs Computing kpt #: 188 total cpu time spent up to now is 74.5 secs Computing kpt #: 189 total cpu time spent up to now is 74.9 secs Computing kpt #: 190 total cpu time spent up to now is 75.3 secs Computing kpt #: 191 total cpu time spent up to now is 75.7 secs Computing kpt #: 192 total cpu time spent up to now is 76.0 secs Computing kpt #: 193 total cpu time spent up to now is 76.5 secs Computing kpt #: 194 total cpu time spent up to now is 76.9 secs Computing kpt #: 195 total cpu time spent up to now is 77.3 secs Computing kpt #: 196 total cpu time spent up to now is 77.7 secs Computing kpt #: 197 total cpu time spent up to now is 78.2 secs Computing kpt #: 198 total cpu time spent up to now is 78.6 secs Computing kpt #: 199 total cpu time spent up to now is 79.1 secs Computing kpt #: 200 total cpu time spent up to now is 79.5 secs Computing kpt #: 201 total cpu time spent up to now is 80.0 secs Computing kpt #: 202 total cpu time spent up to now is 80.5 secs Computing kpt #: 203 total cpu time spent up to now is 80.9 secs Computing kpt #: 204 total cpu time spent up to now is 81.4 secs Computing kpt #: 205 total cpu time spent up to now is 81.8 secs Computing kpt #: 206 total cpu time spent up to now is 82.2 secs Computing kpt #: 207 total cpu time spent up to now is 82.6 secs Computing kpt #: 208 total cpu time spent up to now is 83.0 secs Computing kpt #: 209 total cpu time spent up to now is 83.4 secs Computing kpt #: 210 total cpu time spent up to now is 83.7 secs Computing kpt #: 211 total cpu time spent up to now is 84.1 secs Computing kpt #: 212 total cpu time spent up to now is 84.4 secs Computing kpt #: 213 total cpu time spent up to now is 84.8 secs Computing kpt #: 214 total cpu time spent up to now is 85.1 secs Computing kpt #: 215 total cpu time spent up to now is 85.4 secs Computing kpt #: 216 total cpu time spent up to now is 85.8 secs Computing kpt #: 217 total cpu time spent up to now is 86.1 secs Computing kpt #: 218 total cpu time spent up to now is 86.5 secs Computing kpt #: 219 total cpu time spent up to now is 86.8 secs Computing kpt #: 220 total cpu time spent up to now is 87.2 secs Computing kpt #: 221 total cpu time spent up to now is 87.5 secs Computing kpt #: 222 total cpu time spent up to now is 87.9 secs Computing kpt #: 223 total cpu time spent up to now is 88.2 secs Computing kpt #: 224 total cpu time spent up to now is 88.6 secs Computing kpt #: 225 total cpu time spent up to now is 88.9 secs Computing kpt #: 226 total cpu time spent up to now is 89.2 secs Computing kpt #: 227 total cpu time spent up to now is 89.6 secs Computing kpt #: 228 total cpu time spent up to now is 89.9 secs Computing kpt #: 229 total cpu time spent up to now is 90.2 secs Computing kpt #: 230 total cpu time spent up to now is 90.6 secs Computing kpt #: 231 total cpu time spent up to now is 90.9 secs Computing kpt #: 232 total cpu time spent up to now is 91.2 secs Computing kpt #: 233 total cpu time spent up to now is 91.5 secs Computing kpt #: 234 total cpu time spent up to now is 91.9 secs Computing kpt #: 235 total cpu time spent up to now is 92.2 secs Computing kpt #: 236 total cpu time spent up to now is 92.5 secs Computing kpt #: 237 total cpu time spent up to now is 92.9 secs Computing kpt #: 238 total cpu time spent up to now is 93.2 secs Computing kpt #: 239 total cpu time spent up to now is 93.5 secs Computing kpt #: 240 total cpu time spent up to now is 93.9 secs Computing kpt #: 241 total cpu time spent up to now is 94.2 secs Computing kpt #: 242 total cpu time spent up to now is 94.5 secs Computing kpt #: 243 total cpu time spent up to now is 94.9 secs Computing kpt #: 244 total cpu time spent up to now is 95.2 secs Computing kpt #: 245 total cpu time spent up to now is 95.6 secs Computing kpt #: 246 total cpu time spent up to now is 95.9 secs Computing kpt #: 247 total cpu time spent up to now is 96.3 secs Computing kpt #: 248 total cpu time spent up to now is 96.6 secs Computing kpt #: 249 total cpu time spent up to now is 97.0 secs Computing kpt #: 250 total cpu time spent up to now is 97.3 secs Computing kpt #: 251 total cpu time spent up to now is 97.7 secs Computing kpt #: 252 total cpu time spent up to now is 98.0 secs Computing kpt #: 253 total cpu time spent up to now is 98.4 secs Computing kpt #: 254 total cpu time spent up to now is 98.8 secs Computing kpt #: 255 total cpu time spent up to now is 99.1 secs Computing kpt #: 256 total cpu time spent up to now is 99.5 secs Computing kpt #: 257 total cpu time spent up to now is 99.9 secs Computing kpt #: 258 total cpu time spent up to now is 100.2 secs Computing kpt #: 259 total cpu time spent up to now is 100.6 secs Computing kpt #: 260 total cpu time spent up to now is 100.9 secs Computing kpt #: 261 total cpu time spent up to now is 101.3 secs Computing kpt #: 262 total cpu time spent up to now is 101.7 secs Computing kpt #: 263 total cpu time spent up to now is 102.0 secs Computing kpt #: 264 total cpu time spent up to now is 102.4 secs Computing kpt #: 265 total cpu time spent up to now is 102.8 secs Computing kpt #: 266 total cpu time spent up to now is 103.1 secs Computing kpt #: 267 total cpu time spent up to now is 103.5 secs Computing kpt #: 268 total cpu time spent up to now is 103.8 secs Computing kpt #: 269 total cpu time spent up to now is 104.2 secs Computing kpt #: 270 total cpu time spent up to now is 104.5 secs Computing kpt #: 271 total cpu time spent up to now is 104.9 secs Computing kpt #: 272 total cpu time spent up to now is 105.2 secs Computing kpt #: 273 total cpu time spent up to now is 105.6 secs Computing kpt #: 274 total cpu time spent up to now is 105.9 secs Computing kpt #: 275 total cpu time spent up to now is 106.3 secs Computing kpt #: 276 total cpu time spent up to now is 106.6 secs Computing kpt #: 277 total cpu time spent up to now is 107.0 secs Computing kpt #: 278 total cpu time spent up to now is 107.4 secs Computing kpt #: 279 total cpu time spent up to now is 107.7 secs Computing kpt #: 280 total cpu time spent up to now is 108.1 secs Computing kpt #: 281 total cpu time spent up to now is 108.5 secs Computing kpt #: 282 total cpu time spent up to now is 108.9 secs Computing kpt #: 283 total cpu time spent up to now is 109.3 secs Computing kpt #: 284 total cpu time spent up to now is 109.6 secs Computing kpt #: 285 total cpu time spent up to now is 110.0 secs Computing kpt #: 286 total cpu time spent up to now is 110.4 secs Computing kpt #: 287 total cpu time spent up to now is 110.8 secs Computing kpt #: 288 total cpu time spent up to now is 111.2 secs Computing kpt #: 289 total cpu time spent up to now is 111.6 secs Computing kpt #: 290 total cpu time spent up to now is 112.0 secs Computing kpt #: 291 total cpu time spent up to now is 112.4 secs Computing kpt #: 292 total cpu time spent up to now is 112.8 secs Computing kpt #: 293 total cpu time spent up to now is 113.2 secs Computing kpt #: 294 total cpu time spent up to now is 113.6 secs Computing kpt #: 295 total cpu time spent up to now is 114.1 secs Computing kpt #: 296 total cpu time spent up to now is 114.5 secs Computing kpt #: 297 total cpu time spent up to now is 114.9 secs Computing kpt #: 298 total cpu time spent up to now is 115.3 secs Computing kpt #: 299 total cpu time spent up to now is 115.6 secs Computing kpt #: 300 total cpu time spent up to now is 116.0 secs Computing kpt #: 301 total cpu time spent up to now is 116.4 secs Computing kpt #: 302 total cpu time spent up to now is 116.8 secs Computing kpt #: 303 total cpu time spent up to now is 117.2 secs Computing kpt #: 304 total cpu time spent up to now is 117.5 secs Computing kpt #: 305 total cpu time spent up to now is 117.9 secs Computing kpt #: 306 total cpu time spent up to now is 118.3 secs Computing kpt #: 307 total cpu time spent up to now is 118.7 secs Computing kpt #: 308 total cpu time spent up to now is 119.1 secs Computing kpt #: 309 total cpu time spent up to now is 119.4 secs Computing kpt #: 310 total cpu time spent up to now is 119.8 secs Computing kpt #: 311 total cpu time spent up to now is 120.2 secs Computing kpt #: 312 total cpu time spent up to now is 120.6 secs Computing kpt #: 313 total cpu time spent up to now is 121.0 secs Computing kpt #: 314 total cpu time spent up to now is 121.4 secs Computing kpt #: 315 total cpu time spent up to now is 121.8 secs Computing kpt #: 316 total cpu time spent up to now is 122.2 secs Computing kpt #: 317 total cpu time spent up to now is 122.7 secs Computing kpt #: 318 total cpu time spent up to now is 123.1 secs Computing kpt #: 319 total cpu time spent up to now is 123.6 secs Computing kpt #: 320 total cpu time spent up to now is 123.9 secs Computing kpt #: 321 total cpu time spent up to now is 124.2 secs Computing kpt #: 322 total cpu time spent up to now is 124.6 secs Computing kpt #: 323 total cpu time spent up to now is 124.9 secs Computing kpt #: 324 total cpu time spent up to now is 125.2 secs Computing kpt #: 325 total cpu time spent up to now is 125.6 secs Computing kpt #: 326 total cpu time spent up to now is 125.9 secs Computing kpt #: 327 total cpu time spent up to now is 126.2 secs Computing kpt #: 328 total cpu time spent up to now is 126.6 secs Computing kpt #: 329 total cpu time spent up to now is 126.9 secs Computing kpt #: 330 total cpu time spent up to now is 127.2 secs Computing kpt #: 331 total cpu time spent up to now is 127.6 secs Computing kpt #: 332 total cpu time spent up to now is 127.9 secs Computing kpt #: 333 total cpu time spent up to now is 128.2 secs Computing kpt #: 334 total cpu time spent up to now is 128.6 secs Computing kpt #: 335 total cpu time spent up to now is 128.9 secs Computing kpt #: 336 total cpu time spent up to now is 129.2 secs Computing kpt #: 337 total cpu time spent up to now is 129.6 secs Computing kpt #: 338 total cpu time spent up to now is 129.9 secs Computing kpt #: 339 total cpu time spent up to now is 130.2 secs Computing kpt #: 340 total cpu time spent up to now is 130.6 secs Computing kpt #: 341 total cpu time spent up to now is 130.9 secs Computing kpt #: 342 total cpu time spent up to now is 131.2 secs Computing kpt #: 343 total cpu time spent up to now is 131.6 secs Computing kpt #: 344 total cpu time spent up to now is 131.9 secs Computing kpt #: 345 total cpu time spent up to now is 132.3 secs Computing kpt #: 346 total cpu time spent up to now is 132.6 secs Computing kpt #: 347 total cpu time spent up to now is 133.0 secs Computing kpt #: 348 total cpu time spent up to now is 133.3 secs Computing kpt #: 349 total cpu time spent up to now is 133.7 secs Computing kpt #: 350 total cpu time spent up to now is 134.0 secs Computing kpt #: 351 total cpu time spent up to now is 134.4 secs Computing kpt #: 352 total cpu time spent up to now is 134.7 secs Computing kpt #: 353 total cpu time spent up to now is 135.1 secs Computing kpt #: 354 total cpu time spent up to now is 135.5 secs Computing kpt #: 355 total cpu time spent up to now is 135.8 secs Computing kpt #: 356 total cpu time spent up to now is 136.2 secs Computing kpt #: 357 total cpu time spent up to now is 136.6 secs Computing kpt #: 358 total cpu time spent up to now is 136.9 secs Computing kpt #: 359 total cpu time spent up to now is 137.3 secs Computing kpt #: 360 total cpu time spent up to now is 137.6 secs Computing kpt #: 361 total cpu time spent up to now is 138.0 secs ethr = 2.27E-08, avg # of iterations = 16.5 total cpu time spent up to now is 138.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4259 PWs) bands (ev): -42.2137 -42.2137 -42.2124 -42.2124 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7510 -17.7510 -0.4921 -0.4921 2.0503 2.0503 2.3655 2.3655 7.2058 7.2058 8.4084 8.4084 8.6059 8.6059 8.6882 8.6882 8.9160 8.9160 9.3900 9.3900 11.4806 11.4806 11.6976 11.6976 11.9074 11.9074 11.9283 11.9283 12.1585 12.1585 12.9817 12.9817 13.2095 13.2095 13.9742 13.9742 14.5205 14.5205 k = 0.0000 0.0116-0.0000 ( 4259 PWs) bands (ev): -42.2137 -42.2137 -42.2124 -42.2124 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7747 -17.7747 -17.7638 -17.7638 -17.7510 -17.7510 -0.4905 -0.4905 2.0513 2.0513 2.3669 2.3669 7.1966 7.1966 8.4098 8.4098 8.6045 8.6045 8.6848 8.6848 8.9275 8.9275 9.3900 9.3900 11.4721 11.4721 11.6954 11.6954 11.8896 11.8896 11.9261 11.9261 12.1787 12.1787 12.9786 12.9786 13.2148 13.2148 13.9795 13.9795 14.5198 14.5198 k = 0.0000 0.0233-0.0000 ( 4257 PWs) bands (ev): -42.2136 -42.2136 -42.2123 -42.2123 -19.8594 -19.8594 -19.8415 -19.8415 -17.7921 -17.7921 -17.7749 -17.7749 -17.7640 -17.7640 -17.7511 -17.7511 -0.4858 -0.4858 2.0541 2.0541 2.3711 2.3711 7.1692 7.1692 8.4140 8.4140 8.5995 8.5995 8.6778 8.6778 8.9591 8.9591 9.3898 9.3898 11.4469 11.4469 11.6886 11.6886 11.8483 11.8483 11.9196 11.9196 12.2271 12.2271 12.9696 12.9696 13.2304 13.2304 13.9952 13.9952 14.5169 14.5169 k = 0.0000 0.0349-0.0000 ( 4257 PWs) bands (ev): -42.2137 -42.2137 -42.2123 -42.2123 -19.8595 -19.8595 -19.8417 -19.8417 -17.7921 -17.7921 -17.7753 -17.7753 -17.7644 -17.7644 -17.7512 -17.7512 -0.4779 -0.4779 2.0588 2.0588 2.3781 2.3781 7.1249 7.1249 8.4210 8.4210 8.5893 8.5893 8.6733 8.6733 9.0051 9.0051 9.3895 9.3895 11.4067 11.4067 11.6774 11.6774 11.7990 11.7990 11.9085 11.9085 12.2876 12.2876 12.9553 12.9553 13.2559 13.2559 14.0211 14.0211 14.5096 14.5096 k = 0.0000 0.0465-0.0000 ( 4259 PWs) bands (ev): -42.2136 -42.2136 -42.2122 -42.2122 -19.8597 -19.8597 -19.8419 -19.8419 -17.7922 -17.7922 -17.7757 -17.7757 -17.7649 -17.7649 -17.7513 -17.7513 -0.4668 -0.4668 2.0654 2.0654 2.3879 2.3879 7.0653 7.0653 8.4306 8.4306 8.5738 8.5738 8.6744 8.6744 9.0609 9.0609 9.3889 9.3889 11.3539 11.3539 11.6616 11.6616 11.7485 11.7485 11.8931 11.8931 12.3523 12.3523 12.9367 12.9367 13.2903 13.2903 14.0568 14.0568 14.4948 14.4948 k = 0.0000 0.0581-0.0000 ( 4259 PWs) bands (ev): -42.2136 -42.2136 -42.2122 -42.2122 -19.8599 -19.8599 -19.8423 -19.8423 -17.7923 -17.7923 -17.7763 -17.7763 -17.7655 -17.7655 -17.7514 -17.7514 -0.4527 -0.4527 2.0739 2.0739 2.4004 2.4004 6.9924 6.9924 8.4425 8.4425 8.5545 8.5545 8.6807 8.6807 9.1234 9.1234 9.3879 9.3879 11.2918 11.2918 11.6414 11.6414 11.6988 11.6988 11.8732 11.8732 12.4173 12.4173 12.9149 12.9149 13.3329 13.3329 14.1018 14.1018 14.4698 14.4698 k = 0.0000 0.0698-0.0000 ( 4267 PWs) bands (ev): -42.2136 -42.2136 -42.2121 -42.2121 -19.8602 -19.8602 -19.8427 -19.8427 -17.7924 -17.7924 -17.7769 -17.7769 -17.7664 -17.7664 -17.7515 -17.7515 -0.4354 -0.4354 2.0843 2.0843 2.4156 2.4156 6.9080 6.9080 8.4560 8.4560 8.5334 8.5334 8.6910 8.6910 9.1904 9.1904 9.3866 9.3866 11.2238 11.2238 11.6165 11.6165 11.6501 11.6501 11.8491 11.8491 12.4808 12.4808 12.8910 12.8910 13.3828 13.3828 14.1553 14.1553 14.4332 14.4332 k = 0.0000 0.0814-0.0000 ( 4271 PWs) bands (ev): -42.2135 -42.2135 -42.2121 -42.2121 -19.8605 -19.8605 -19.8431 -19.8431 -17.7927 -17.7927 -17.7777 -17.7777 -17.7673 -17.7673 -17.7516 -17.7516 -0.4149 -0.4149 2.0965 2.0965 2.4335 2.4335 6.8140 6.8140 8.4672 8.4672 8.5145 8.5145 8.7046 8.7046 9.2597 9.2597 9.3852 9.3852 11.1530 11.1530 11.5865 11.5865 11.6032 11.6032 11.8208 11.8208 12.5417 12.5417 12.8662 12.8662 13.4389 13.4389 14.2165 14.2165 14.3858 14.3858 k = 0.0000 0.0930-0.0000 ( 4275 PWs) bands (ev): -42.2134 -42.2134 -42.2120 -42.2120 -19.8609 -19.8609 -19.8437 -19.8437 -17.7931 -17.7931 -17.7784 -17.7784 -17.7685 -17.7685 -17.7517 -17.7517 -0.3914 -0.3914 2.1105 2.1105 2.4540 2.4540 6.7120 6.7120 8.4606 8.4606 8.5132 8.5132 8.7210 8.7210 9.3261 9.3261 9.3875 9.3875 11.0819 11.0819 11.5477 11.5477 11.5616 11.5616 11.7886 11.7886 12.5990 12.5990 12.8416 12.8416 13.5006 13.5006 14.2827 14.2827 14.3313 14.3313 k = 0.0000 0.1047-0.0000 ( 4263 PWs) bands (ev): -42.2132 -42.2132 -42.2118 -42.2118 -19.8613 -19.8613 -19.8443 -19.8443 -17.7937 -17.7937 -17.7791 -17.7791 -17.7697 -17.7697 -17.7517 -17.7517 -0.3648 -0.3648 2.1265 2.1265 2.4769 2.4769 6.6032 6.6032 8.4344 8.4344 8.5308 8.5308 8.7400 8.7400 9.3585 9.3585 9.4235 9.4235 11.0129 11.0129 11.5020 11.5020 11.5239 11.5239 11.7529 11.7529 12.6516 12.6516 12.8186 12.8186 13.5672 13.5672 14.2628 14.2628 14.3627 14.3627 k = 0.0000 0.1163-0.0000 ( 4261 PWs) bands (ev): -42.2131 -42.2131 -42.2117 -42.2117 -19.8618 -19.8618 -19.8449 -19.8449 -17.7945 -17.7945 -17.7799 -17.7799 -17.7710 -17.7710 -17.7518 -17.7518 -0.3351 -0.3351 2.1442 2.1442 2.5024 2.5024 6.4888 6.4888 8.4004 8.4004 8.5550 8.5550 8.7612 8.7612 9.3564 9.3564 9.4924 9.4924 10.9476 10.9476 11.4550 11.4550 11.4846 11.4846 11.7141 11.7141 12.6964 12.6964 12.8004 12.8004 13.6378 13.6378 14.1960 14.1960 14.4420 14.4420 k = 0.0000 0.1279-0.0000 ( 4259 PWs) bands (ev): -42.2129 -42.2129 -42.2116 -42.2116 -19.8622 -19.8622 -19.8456 -19.8456 -17.7955 -17.7955 -17.7807 -17.7807 -17.7723 -17.7723 -17.7517 -17.7517 -0.3023 -0.3023 2.1638 2.1638 2.5302 2.5302 6.3698 6.3698 8.3610 8.3610 8.5826 8.5826 8.7848 8.7848 9.3471 9.3471 9.5659 9.5659 10.8876 10.8876 11.4083 11.4083 11.4431 11.4431 11.6728 11.6728 12.7230 12.7230 12.7973 12.7973 13.7121 13.7121 14.1266 14.1266 14.5259 14.5259 k = 0.0000 0.1395-0.0000 ( 4259 PWs) bands (ev): -42.2127 -42.2127 -42.2114 -42.2114 -19.8628 -19.8628 -19.8464 -19.8464 -17.7967 -17.7967 -17.7817 -17.7817 -17.7735 -17.7735 -17.7517 -17.7517 -0.2665 -0.2665 2.1852 2.1852 2.5603 2.5603 6.2470 6.2470 8.3165 8.3165 8.6129 8.6129 8.8104 8.8104 9.3337 9.3337 9.6399 9.6399 10.8341 10.8341 11.3621 11.3621 11.3993 11.3993 11.6296 11.6296 12.7207 12.7207 12.8202 12.8202 13.7892 13.7892 14.0572 14.0572 14.6089 14.6089 k = 0.0000 0.1512-0.0000 ( 4261 PWs) bands (ev): -42.2126 -42.2126 -42.2113 -42.2113 -19.8633 -19.8633 -19.8472 -19.8472 -17.7982 -17.7982 -17.7828 -17.7828 -17.7744 -17.7744 -17.7516 -17.7516 -0.2277 -0.2277 2.2084 2.2084 2.5925 2.5925 6.1210 6.1210 8.2671 8.2671 8.6455 8.6455 8.8381 8.8381 9.3165 9.3165 9.7132 9.7132 10.7883 10.7883 11.3168 11.3168 11.3538 11.3538 11.5854 11.5854 12.7052 12.7052 12.8529 12.8529 13.8672 13.8672 13.9909 13.9909 14.6246 14.6246 k = 0.0000 0.1628-0.0000 ( 4257 PWs) bands (ev): -42.2124 -42.2124 -42.2111 -42.2111 -19.8639 -19.8639 -19.8481 -19.8481 -17.7998 -17.7998 -17.7844 -17.7844 -17.7750 -17.7750 -17.7516 -17.7516 -0.1860 -0.1860 2.2333 2.2333 2.6267 2.6267 5.9925 5.9925 8.2126 8.2126 8.6799 8.6799 8.8678 8.8678 9.2954 9.2954 9.7851 9.7851 10.7509 10.7509 11.2726 11.2726 11.3070 11.3070 11.5409 11.5409 12.6867 12.6867 12.8851 12.8851 13.9067 13.9067 13.9682 13.9682 14.5488 14.5488 k = 0.0000 0.1744-0.0000 ( 4265 PWs) bands (ev): -42.2123 -42.2123 -42.2109 -42.2109 -19.8645 -19.8645 -19.8490 -19.8490 -17.8017 -17.8017 -17.7862 -17.7862 -17.7753 -17.7753 -17.7515 -17.7515 -0.1412 -0.1412 2.2600 2.2600 2.6628 2.6628 5.8620 5.8620 8.1532 8.1532 8.7158 8.7158 8.8993 8.8993 9.2703 9.2703 9.8550 9.8550 10.7227 10.7227 11.2294 11.2294 11.2592 11.2592 11.4973 11.4973 12.6674 12.6674 12.9143 12.9143 13.8525 13.8525 14.0449 14.0449 14.4644 14.4644 k = 0.0000 0.1860-0.0000 ( 4267 PWs) bands (ev): -42.2122 -42.2122 -42.2108 -42.2108 -19.8651 -19.8651 -19.8500 -19.8500 -17.8037 -17.8037 -17.7883 -17.7883 -17.7752 -17.7752 -17.7514 -17.7514 -0.0936 -0.0936 2.2884 2.2884 2.7006 2.7006 5.7298 5.7298 8.0891 8.0891 8.7522 8.7522 8.9327 8.9327 9.2415 9.2415 9.9222 9.9222 10.7040 10.7040 11.1866 11.1866 11.2117 11.2117 11.4553 11.4553 12.6477 12.6477 12.9396 12.9396 13.7947 13.7947 14.1313 14.1313 14.3787 14.3787 k = 0.0000 0.1977-0.0000 ( 4271 PWs) bands (ev): -42.2120 -42.2120 -42.2107 -42.2107 -19.8658 -19.8658 -19.8510 -19.8510 -17.8058 -17.8058 -17.7907 -17.7907 -17.7750 -17.7750 -17.7512 -17.7512 -0.0430 -0.0430 2.3185 2.3185 2.7399 2.7399 5.5963 5.5963 8.0209 8.0209 8.7878 8.7878 8.9678 8.9678 9.2099 9.2099 9.9863 9.9863 10.6953 10.6953 11.1424 11.1424 11.1667 11.1667 11.4159 11.4159 12.6277 12.6277 12.9608 12.9608 13.7407 13.7407 14.2199 14.2199 14.2937 14.2937 k = 0.0000 0.2093-0.0000 ( 4271 PWs) bands (ev): -42.2118 -42.2118 -42.2105 -42.2105 -19.8665 -19.8665 -19.8520 -19.8520 -17.8080 -17.8080 -17.7932 -17.7932 -17.7746 -17.7746 -17.7511 -17.7511 0.0104 0.0104 2.3503 2.3503 2.7805 2.7805 5.4620 5.4620 7.9489 7.9489 8.8200 8.8200 9.0045 9.0045 9.1776 9.1776 10.0465 10.0465 10.6964 10.6964 11.0944 11.0944 11.1271 11.1271 11.3799 11.3799 12.6069 12.6069 12.9780 12.9780 13.6916 13.6916 14.2072 14.2072 14.3126 14.3126 k = 0.0000 0.2209-0.0000 ( 4267 PWs) bands (ev): -42.2116 -42.2116 -42.2102 -42.2102 -19.8671 -19.8671 -19.8531 -19.8531 -17.8103 -17.8103 -17.7958 -17.7958 -17.7740 -17.7740 -17.7510 -17.7510 0.0667 0.0667 2.3836 2.3836 2.8222 2.8222 5.3270 5.3270 7.8739 7.8739 8.8437 8.8437 9.0428 9.0428 9.1496 9.1496 10.1026 10.1026 10.7071 10.7071 11.0431 11.0431 11.0929 11.0929 11.3479 11.3479 12.5852 12.5852 12.9913 12.9913 13.6478 13.6478 14.1241 14.1241 14.4043 14.4043 k = 0.0000 0.2326-0.0000 ( 4273 PWs) bands (ev): -42.2114 -42.2114 -42.2101 -42.2101 -19.8678 -19.8678 -19.8542 -19.8542 -17.8127 -17.8127 -17.7985 -17.7985 -17.7734 -17.7734 -17.7509 -17.7509 0.1258 0.1258 2.4186 2.4186 2.8648 2.8648 5.1917 5.1917 7.7966 7.7966 8.8506 8.8506 9.0826 9.0826 9.1342 9.1342 10.1543 10.1543 10.7262 10.7262 10.9903 10.9903 11.0633 11.0633 11.3202 11.3202 12.5621 12.5621 13.0009 13.0009 13.6095 13.6095 14.0424 14.0424 14.4962 14.4962 k = 0.0000 0.2442-0.0000 ( 4273 PWs) bands (ev): -42.2112 -42.2112 -42.2099 -42.2099 -19.8685 -19.8685 -19.8553 -19.8553 -17.8151 -17.8151 -17.8013 -17.8013 -17.7727 -17.7727 -17.7508 -17.7508 0.1876 0.1876 2.4550 2.4550 2.9078 2.9078 5.0563 5.0563 7.7177 7.7177 8.8326 8.8326 9.1240 9.1240 9.1391 9.1391 10.2018 10.2018 10.7519 10.7519 10.9370 10.9370 11.0387 11.0387 11.2970 11.2970 12.5374 12.5374 13.0070 13.0070 13.5766 13.5766 13.9629 13.9629 14.5848 14.5848 k = 0.0000 0.2558-0.0000 ( 4269 PWs) bands (ev): -42.2109 -42.2109 -42.2098 -42.2098 -19.8692 -19.8692 -19.8564 -19.8564 -17.8174 -17.8174 -17.8041 -17.8041 -17.7719 -17.7719 -17.7507 -17.7507 0.2522 0.2522 2.4929 2.4929 2.9511 2.9511 4.9210 4.9210 7.6380 7.6380 8.7903 8.7903 9.1627 9.1627 9.1682 9.1682 10.2455 10.2455 10.7802 10.7802 10.8851 10.8851 11.0203 11.0203 11.2781 11.2781 12.5107 12.5107 13.0100 13.0100 13.5491 13.5491 13.8861 13.8861 14.6554 14.6554 k = 0.0000 0.2674-0.0000 ( 4271 PWs) bands (ev): -42.2107 -42.2107 -42.2096 -42.2096 -19.8698 -19.8698 -19.8575 -19.8575 -17.8198 -17.8198 -17.8069 -17.8069 -17.7711 -17.7711 -17.7506 -17.7506 0.3195 0.3195 2.5323 2.5323 2.9941 2.9941 4.7863 4.7863 7.5583 7.5583 8.7306 8.7306 9.1993 9.1993 9.2141 9.2141 10.2860 10.2860 10.7955 10.7955 10.8466 10.8466 11.0106 11.0106 11.2634 11.2634 12.4817 12.4817 13.0101 13.0101 13.5266 13.5266 13.8127 13.8127 14.6614 14.6614 k = 0.0000 0.2791-0.0000 ( 4267 PWs) bands (ev): -42.2105 -42.2105 -42.2094 -42.2094 -19.8705 -19.8705 -19.8587 -19.8587 -17.8222 -17.8222 -17.8098 -17.8098 -17.7703 -17.7703 -17.7505 -17.7505 0.3894 0.3894 2.5729 2.5729 3.0365 3.0365 4.6522 4.6522 7.4795 7.4795 8.6591 8.6591 9.2410 9.2410 9.2643 9.2643 10.3240 10.3240 10.7611 10.7611 10.8531 10.8531 11.0135 11.0135 11.2525 11.2525 12.4502 12.4502 13.0074 13.0074 13.5087 13.5087 13.7434 13.7434 14.6104 14.6104 k = 0.0000 0.2907-0.0000 ( 4274 PWs) bands (ev): -42.2103 -42.2103 -42.2093 -42.2093 -19.8711 -19.8711 -19.8598 -19.8598 -17.8245 -17.8245 -17.8126 -17.8126 -17.7694 -17.7694 -17.7504 -17.7504 0.4619 0.4619 2.6148 2.6148 3.0777 3.0777 4.5192 4.5192 7.4023 7.4023 8.5797 8.5797 9.2842 9.2842 9.3186 9.3186 10.3599 10.3599 10.7104 10.7104 10.8671 10.8671 11.0321 11.0321 11.2451 11.2451 12.4160 12.4160 13.0020 13.0020 13.4946 13.4946 13.6794 13.6794 14.5450 14.5450 k = 0.0000 0.3023-0.0000 ( 4272 PWs) bands (ev): -42.2100 -42.2100 -42.2091 -42.2091 -19.8717 -19.8717 -19.8609 -19.8609 -17.8268 -17.8268 -17.8154 -17.8154 -17.7685 -17.7685 -17.7504 -17.7504 0.5371 0.5371 2.6579 2.6579 3.1171 3.1171 4.3876 4.3876 7.3275 7.3275 8.4943 8.4943 9.3278 9.3278 9.3767 9.3767 10.3941 10.3941 10.6583 10.6583 10.8747 10.8747 11.0643 11.0643 11.2406 11.2406 12.3789 12.3789 12.9935 12.9935 13.4838 13.4838 13.6218 13.6218 14.4772 14.4772 k = 0.0000 0.3140-0.0000 ( 4272 PWs) bands (ev): -42.2098 -42.2098 -42.2090 -42.2090 -19.8723 -19.8723 -19.8621 -19.8621 -17.8289 -17.8289 -17.8181 -17.8181 -17.7676 -17.7676 -17.7504 -17.7504 0.6147 0.6147 2.7020 2.7020 3.1538 3.1538 4.2581 4.2581 7.2559 7.2559 8.4046 8.4046 9.3711 9.3711 9.4378 9.4378 10.4263 10.4263 10.6071 10.6071 10.8788 10.8788 11.1041 11.1041 11.2388 11.2388 12.3387 12.3387 12.9813 12.9813 13.4753 13.4753 13.5721 13.5721 14.4112 14.4112 k = 0.0000 0.3256-0.0000 ( 4272 PWs) bands (ev): -42.2096 -42.2096 -42.2088 -42.2088 -19.8728 -19.8728 -19.8632 -19.8632 -17.8310 -17.8310 -17.8207 -17.8207 -17.7666 -17.7666 -17.7504 -17.7504 0.6949 0.6949 2.7471 2.7471 3.1867 3.1867 4.1312 4.1312 7.1883 7.1883 8.3117 8.3117 9.4139 9.4139 9.5013 9.5013 10.4555 10.4555 10.5585 10.5585 10.8830 10.8830 11.1467 11.1467 11.2392 11.2392 12.2955 12.2955 12.9646 12.9646 13.4682 13.4682 13.5315 13.5315 14.3495 14.3495 k = 0.0000 0.3372-0.0000 ( 4270 PWs) bands (ev): -42.2094 -42.2094 -42.2087 -42.2087 -19.8734 -19.8734 -19.8643 -19.8643 -17.8330 -17.8330 -17.8233 -17.8233 -17.7657 -17.7657 -17.7504 -17.7504 0.7775 0.7775 2.7930 2.7930 3.2142 3.2142 4.0084 4.0084 7.1254 7.1254 8.2165 8.2165 9.4561 9.4561 9.5666 9.5666 10.4719 10.4719 10.5222 10.5222 10.8894 10.8894 11.1888 11.1888 11.2417 11.2417 12.2492 12.2492 12.9428 12.9428 13.4594 13.4595 13.5031 13.5031 14.2943 14.2943 k = 0.0000 0.3488-0.0000 ( 4268 PWs) bands (ev): -42.2093 -42.2093 -42.2085 -42.2085 -19.8738 -19.8738 -19.8653 -19.8653 -17.8349 -17.8349 -17.8258 -17.8258 -17.7648 -17.7648 -17.7505 -17.7505 0.8625 0.8625 2.8395 2.8395 3.2339 3.2339 3.8915 3.8915 7.0679 7.0679 8.1198 8.1198 9.4975 9.4975 9.6334 9.6334 10.4449 10.4449 10.5290 10.5290 10.8989 10.8989 11.2281 11.2281 11.2465 11.2465 12.1998 12.1998 12.9160 12.9160 13.4409 13.4409 13.4942 13.4942 14.2477 14.2477 k = 0.0000 0.3605-0.0000 ( 4268 PWs) bands (ev): -42.2091 -42.2091 -42.2084 -42.2084 -19.8743 -19.8743 -19.8664 -19.8664 -17.8367 -17.8367 -17.8282 -17.8282 -17.7639 -17.7639 -17.7506 -17.7506 0.9498 0.9498 2.8865 2.8865 3.2419 3.2419 3.7842 3.7842 7.0166 7.0166 8.0225 8.0225 9.5379 9.5379 9.7014 9.7014 10.4011 10.4011 10.5516 10.5516 10.9122 10.9122 11.2493 11.2493 11.2675 11.2675 12.1476 12.1476 12.8850 12.8850 13.4120 13.4120 13.5037 13.5037 14.2113 14.2113 k = 0.0000 0.3721-0.0000 ( 4268 PWs) bands (ev): -42.2090 -42.2090 -42.2082 -42.2082 -19.8746 -19.8746 -19.8674 -19.8674 -17.8383 -17.8383 -17.8305 -17.8305 -17.7630 -17.7630 -17.7507 -17.7507 1.0395 1.0395 2.9337 2.9337 3.2321 3.2321 3.6922 3.6922 6.9720 6.9720 7.9252 7.9252 9.5771 9.5771 9.7701 9.7701 10.3563 10.3563 10.5740 10.5740 10.9295 10.9295 11.2567 11.2567 11.2994 11.2994 12.0927 12.0927 12.8515 12.8515 13.3761 13.3761 13.5263 13.5263 14.1861 14.1861 k = 0.0000 0.3837-0.0000 ( 4266 PWs) bands (ev): -42.2088 -42.2088 -42.2081 -42.2081 -19.8750 -19.8750 -19.8683 -19.8683 -17.8398 -17.8398 -17.8326 -17.8326 -17.7621 -17.7621 -17.7509 -17.7509 1.1314 1.1314 2.9808 2.9808 3.1974 3.1974 3.6222 3.6222 6.9349 6.9349 7.8286 7.8286 9.6151 9.6151 9.8394 9.8394 10.3124 10.3124 10.5937 10.5937 10.9510 10.9510 11.2646 11.2646 11.3273 11.3273 12.0354 12.0354 12.8176 12.8176 13.3336 13.3336 13.5602 13.5602 14.1717 14.1717 k = 0.0000 0.3953-0.0000 ( 4274 PWs) bands (ev): -42.2088 -42.2088 -42.2080 -42.2080 -19.8753 -19.8753 -19.8692 -19.8692 -17.8411 -17.8411 -17.8346 -17.8346 -17.7612 -17.7612 -17.7511 -17.7511 1.2255 1.2255 3.0267 3.0267 3.1359 3.1359 3.5769 3.5769 6.9056 6.9056 7.7333 7.7333 9.6518 9.6518 9.9087 9.9087 10.2699 10.2699 10.6094 10.6094 10.9767 10.9767 11.2734 11.2734 11.3505 11.3505 11.9759 11.9759 12.7855 12.7855 13.2848 13.2848 13.6038 13.6038 14.1669 14.1669 k = 0.0000 0.4070-0.0000 ( 4282 PWs) bands (ev): -42.2087 -42.2087 -42.2079 -42.2079 -19.8755 -19.8755 -19.8701 -19.8701 -17.8423 -17.8423 -17.8365 -17.8365 -17.7604 -17.7604 -17.7513 -17.7513 1.3218 1.3218 3.0385 3.0385 3.0854 3.0854 3.5506 3.5506 6.8848 6.8848 7.6400 7.6400 9.6872 9.6872 9.9776 9.9776 10.2289 10.2289 10.6203 10.6203 11.0068 11.0068 11.2831 11.2831 11.3688 11.3688 11.9146 11.9146 12.7570 12.7570 13.2310 13.2310 13.6557 13.6557 14.1693 14.1693 k = 0.0000 0.4186-0.0000 ( 4286 PWs) bands (ev): -42.2086 -42.2086 -42.2079 -42.2079 -19.8756 -19.8756 -19.8709 -19.8709 -17.8433 -17.8433 -17.8382 -17.8382 -17.7595 -17.7595 -17.7516 -17.7516 1.4202 1.4202 2.9451 2.9451 3.1252 3.1252 3.5347 3.5347 6.8727 6.8727 7.5492 7.5492 9.7215 9.7215 10.0455 10.0455 10.1898 10.1898 10.6254 10.6254 11.0413 11.0413 11.2935 11.2935 11.3825 11.3825 11.8519 11.8519 12.7340 12.7340 13.1736 13.1736 13.7141 13.7141 14.1764 14.1764 k = 0.0000 0.4302-0.0000 ( 4286 PWs) bands (ev): -42.2084 -42.2084 -42.2079 -42.2079 -19.8757 -19.8757 -19.8717 -19.8717 -17.8442 -17.8442 -17.8398 -17.8398 -17.7587 -17.7587 -17.7519 -17.7519 1.5205 1.5205 2.8382 2.8382 3.1699 3.1699 3.5225 3.5225 6.8695 6.8695 7.4616 7.4616 9.7547 9.7547 10.1085 10.1085 10.1559 10.1559 10.6240 10.6240 11.0800 11.0800 11.3047 11.3047 11.3915 11.3915 11.7882 11.7882 12.7179 12.7179 13.1143 13.1143 13.7772 13.7772 14.1853 14.1853 k = 0.0000 0.4419-0.0000 ( 4282 PWs) bands (ev): -42.2082 -42.2082 -42.2079 -42.2079 -19.8758 -19.8758 -19.8724 -19.8724 -17.8448 -17.8448 -17.8411 -17.8411 -17.7580 -17.7580 -17.7522 -17.7522 1.6229 1.6229 2.7268 2.7268 3.2138 3.2138 3.5102 3.5102 6.8755 6.8755 7.3778 7.3778 9.7870 9.7870 10.1088 10.1088 10.1845 10.1845 10.6156 10.6156 11.1227 11.1227 11.3166 11.3166 11.3964 11.3964 11.7239 11.7239 12.7098 12.7098 13.0547 13.0547 13.8429 13.8429 14.1929 14.1929 k = 0.0000 0.4535-0.0000 ( 4284 PWs) bands (ev): -42.2081 -42.2081 -42.2078 -42.2078 -19.8757 -19.8757 -19.8730 -19.8730 -17.8453 -17.8453 -17.8423 -17.8423 -17.7572 -17.7572 -17.7526 -17.7526 1.7271 1.7271 2.6135 2.6135 3.2563 3.2563 3.4958 3.4958 6.8905 6.8905 7.2983 7.2983 9.8187 9.8187 10.0751 10.0751 10.2462 10.2462 10.5998 10.5998 11.1690 11.1690 11.3289 11.3289 11.3974 11.3974 11.6597 11.6597 12.7103 12.7103 12.9963 12.9963 13.9088 13.9088 14.1965 14.1965 k = 0.0000 0.4651-0.0000 ( 4280 PWs) bands (ev): -42.2080 -42.2080 -42.2078 -42.2078 -19.8756 -19.8756 -19.8736 -19.8736 -17.8456 -17.8456 -17.8434 -17.8434 -17.7565 -17.7565 -17.7531 -17.7531 1.8331 1.8331 2.4996 2.4996 3.2968 3.2968 3.4781 3.4781 6.9143 6.9143 7.2238 7.2238 9.8499 9.8499 10.0411 10.0411 10.3067 10.3067 10.5767 10.5767 11.2181 11.2181 11.3415 11.3415 11.3953 11.3953 11.5961 11.5961 12.7197 12.7197 12.9403 12.9403 13.9725 13.9725 14.1935 14.1935 k = 0.0000 0.4767-0.0000 ( 4288 PWs) bands (ev): -42.2080 -42.2080 -42.2079 -42.2079 -19.8755 -19.8755 -19.8741 -19.8741 -17.8457 -17.8457 -17.8442 -17.8442 -17.7559 -17.7559 -17.7536 -17.7536 1.9408 1.9408 2.3859 2.3859 3.3350 3.3350 3.4567 3.4567 6.9469 6.9469 7.1549 7.1549 9.8810 9.8810 10.0078 10.0078 10.3642 10.3642 10.5464 10.5464 11.2681 11.2681 11.3536 11.3536 11.3920 11.3920 11.5342 11.5342 12.7380 12.7380 12.8881 12.8881 14.0317 14.0317 14.1817 14.1817 k = 0.0000 0.4884-0.0000 ( 4288 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8752 -19.8752 -19.8746 -19.8746 -17.8456 -17.8456 -17.8449 -17.8449 -17.7552 -17.7552 -17.7541 -17.7541 2.0501 2.0501 2.2729 2.2729 3.3704 3.3704 3.4316 3.4316 6.9877 6.9877 7.0922 7.0922 9.9120 9.9120 9.9753 9.9753 10.4176 10.4176 10.5094 10.5094 11.3145 11.3145 11.3591 11.3591 11.3966 11.3966 11.4757 11.4757 12.7647 12.7647 12.8407 12.8407 14.0838 14.0838 14.1597 14.1597 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1609 2.1609 2.1609 2.1609 3.4027 3.4027 3.4027 3.4027 7.0363 7.0363 7.0363 7.0363 9.9434 9.9434 9.9434 9.9434 10.4662 10.4662 10.4662 10.4662 11.3468 11.3468 11.3468 11.3468 11.4259 11.4259 11.4259 11.4259 12.7993 12.7993 12.7993 12.7993 14.1269 14.1269 14.1269 14.1269 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1609 2.1609 2.1609 2.1609 3.4027 3.4027 3.4027 3.4027 7.0363 7.0363 7.0363 7.0363 9.9434 9.9434 9.9434 9.9434 10.4662 10.4662 10.4662 10.4662 11.3468 11.3468 11.3468 11.3468 11.4259 11.4259 11.4259 11.4259 12.7993 12.7993 12.7993 12.7993 14.1269 14.1269 14.1269 14.1269 k = 0.0116 0.5000-0.0000 ( 4296 PWs) bands (ev): -42.2080 -42.2080 -42.2080 -42.2080 -19.8751 -19.8751 -19.8749 -19.8749 -17.8454 -17.8454 -17.8453 -17.8453 -17.7549 -17.7549 -17.7545 -17.7545 2.1615 2.1615 2.1625 2.1625 3.4032 3.4032 3.4036 3.4036 7.0376 7.0376 7.0380 7.0380 9.9355 9.9355 9.9378 9.9378 10.4571 10.4571 10.4723 10.4723 11.3341 11.3341 11.3469 11.3469 11.4067 11.4067 11.4499 11.4499 12.8061 12.8061 12.8068 12.8068 14.1270 14.1270 14.1276 14.1276 k = 0.0233 0.5000-0.0000 ( 4296 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8752 -19.8752 -19.8748 -19.8748 -17.8454 -17.8454 -17.8453 -17.8453 -17.7553 -17.7553 -17.7545 -17.7545 2.1644 2.1644 2.1665 2.1665 3.4050 3.4050 3.4059 3.4059 7.0418 7.0418 7.0426 7.0426 9.9143 9.9143 9.9187 9.9187 10.4451 10.4451 10.4750 10.4750 11.3159 11.3159 11.3270 11.3270 11.4004 11.4004 11.4715 11.4715 12.8271 12.8271 12.8283 12.8283 14.1279 14.1279 14.1290 14.1290 k = 0.0349 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8755 -19.8755 -19.8749 -19.8749 -17.8455 -17.8455 -17.8453 -17.8453 -17.7558 -17.7558 -17.7546 -17.7546 2.1695 2.1695 2.1727 2.1727 3.4082 3.4082 3.4096 3.4096 7.0489 7.0489 7.0502 7.0502 9.8801 9.8801 9.8867 9.8867 10.4305 10.4305 10.4744 10.4744 11.2949 11.2949 11.2953 11.2953 11.3995 11.3995 11.4879 11.4879 12.8617 12.8617 12.8627 12.8627 14.1296 14.1296 14.1312 14.1312 k = 0.0465 0.5000-0.0000 ( 4288 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8757 -19.8757 -19.8749 -19.8749 -17.8456 -17.8456 -17.8453 -17.8453 -17.7564 -17.7564 -17.7549 -17.7549 2.1769 2.1769 2.1811 2.1811 3.4127 3.4127 3.4146 3.4146 7.0589 7.0589 7.0606 7.0606 9.8340 9.8340 9.8425 9.8425 10.4134 10.4134 10.4702 10.4702 11.2599 11.2599 11.2723 11.2723 11.3964 11.3964 11.4980 11.4980 12.9085 12.9085 12.9087 12.9087 14.1322 14.1322 14.1341 14.1341 k = 0.0581 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8760 -19.8760 -19.8750 -19.8750 -17.8457 -17.8457 -17.8454 -17.8454 -17.7572 -17.7572 -17.7552 -17.7552 2.1865 2.1865 2.1918 2.1918 3.4186 3.4186 3.4210 3.4210 7.0717 7.0717 7.0740 7.0740 9.7769 9.7769 9.7870 9.7870 10.3939 10.3939 10.4624 10.4624 11.2240 11.2240 11.2488 11.2488 11.3888 11.3888 11.5014 11.5014 12.9646 12.9646 12.9658 12.9658 14.1356 14.1356 14.1379 14.1379 k = 0.0698 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2077 -42.2077 -42.2077 -42.2077 -19.8764 -19.8764 -19.8752 -19.8752 -17.8458 -17.8458 -17.8454 -17.8454 -17.7580 -17.7580 -17.7557 -17.7557 2.1984 2.1984 2.2046 2.2046 3.4258 3.4258 3.4287 3.4287 7.0873 7.0873 7.0902 7.0902 9.7101 9.7101 9.7215 9.7215 10.3721 10.3721 10.4509 10.4509 11.1890 11.1890 11.2248 11.2248 11.3758 11.3758 11.4982 11.4982 13.0285 13.0285 13.0317 13.0317 14.1401 14.1401 14.1426 14.1426 k = 0.0814 0.5000-0.0000 ( 4284 PWs) bands (ev): -42.2075 -42.2075 -42.2075 -42.2075 -19.8768 -19.8768 -19.8754 -19.8754 -17.8459 -17.8459 -17.8455 -17.8455 -17.7589 -17.7589 -17.7563 -17.7563 2.2125 2.2125 2.2197 2.2197 3.4343 3.4343 3.4377 3.4377 7.1055 7.1055 7.1092 7.1092 9.6349 9.6349 9.6471 9.6471 10.3483 10.3483 10.4357 10.4357 11.1555 11.1555 11.2004 11.2004 11.3573 11.3573 11.4887 11.4887 13.0987 13.0987 13.1041 13.1041 14.1458 14.1458 14.1482 14.1482 k = 0.0930 0.5000-0.0000 ( 4280 PWs) bands (ev): -42.2074 -42.2074 -42.2074 -42.2074 -19.8772 -19.8772 -19.8757 -19.8757 -17.8461 -17.8461 -17.8456 -17.8456 -17.7599 -17.7599 -17.7570 -17.7570 2.2288 2.2288 2.2369 2.2369 3.4441 3.4441 3.4479 3.4479 7.1263 7.1263 7.1309 7.1309 9.5526 9.5526 9.5650 9.5650 10.3223 10.3223 10.4167 10.4167 11.1238 11.1238 11.1753 11.1753 11.3334 11.3334 11.4735 11.4735 13.1732 13.1732 13.1808 13.1808 14.1526 14.1526 14.1549 14.1549 k = 0.1047 0.5000-0.0000 ( 4280 PWs) bands (ev): -42.2073 -42.2073 -42.2073 -42.2073 -19.8777 -19.8777 -19.8760 -19.8760 -17.8463 -17.8463 -17.8458 -17.8458 -17.7610 -17.7610 -17.7578 -17.7578 2.2472 2.2472 2.2562 2.2562 3.4550 3.4550 3.4593 3.4593 7.1495 7.1495 7.1551 7.1551 9.4645 9.4645 9.4767 9.4767 10.2944 10.2944 10.3941 10.3941 11.0939 11.0939 11.1494 11.1494 11.3046 11.3046 11.4532 11.4532 13.2501 13.2501 13.2598 13.2598 14.1610 14.1610 14.1626 14.1626 k = 0.1163 0.5000-0.0000 ( 4280 PWs) bands (ev): -42.2072 -42.2072 -42.2072 -42.2072 -19.8782 -19.8782 -19.8764 -19.8764 -17.8465 -17.8465 -17.8459 -17.8459 -17.7622 -17.7622 -17.7587 -17.7587 2.2678 2.2678 2.2776 2.2776 3.4671 3.4671 3.4719 3.4719 7.1751 7.1751 7.1819 7.1819 9.3717 9.3717 9.3831 9.3831 10.2646 10.2646 10.3680 10.3680 11.0655 11.0655 11.1222 11.1222 11.2713 11.2713 11.4286 11.4286 13.3277 13.3277 13.3391 13.3391 14.1709 14.1709 14.1717 14.1717 k = 0.1279 0.5000-0.0000 ( 4282 PWs) bands (ev): -42.2070 -42.2070 -42.2070 -42.2070 -19.8788 -19.8788 -19.8768 -19.8768 -17.8468 -17.8468 -17.8462 -17.8462 -17.7634 -17.7634 -17.7596 -17.7596 2.2904 2.2904 2.3011 2.3011 3.4803 3.4803 3.4855 3.4855 7.2028 7.2028 7.2110 7.2110 9.2752 9.2752 9.2854 9.2854 10.2331 10.2331 10.3384 10.3384 11.0381 11.0381 11.0933 11.0933 11.2340 11.2340 11.4003 11.4003 13.4042 13.4042 13.4166 13.4166 14.1822 14.1822 14.1826 14.1826 k = 0.1395 0.5000-0.0000 ( 4274 PWs) bands (ev): -42.2068 -42.2068 -42.2068 -42.2068 -19.8793 -19.8793 -19.8772 -19.8772 -17.8471 -17.8471 -17.8465 -17.8465 -17.7646 -17.7646 -17.7606 -17.7606 2.3151 2.3151 2.3265 2.3265 3.4945 3.4945 3.5002 3.5002 7.2324 7.2324 7.2423 7.2423 9.1762 9.1762 9.1847 9.1847 10.2001 10.2001 10.3057 10.3057 11.0111 11.0111 11.0621 11.0621 11.1938 11.1938 11.3693 11.3693 13.4780 13.4780 13.4905 13.4905 14.1942 14.1942 14.1961 14.1961 k = 0.1512 0.5000-0.0000 ( 4282 PWs) bands (ev): -42.2067 -42.2067 -42.2067 -42.2067 -19.8800 -19.8800 -19.8777 -19.8777 -17.8474 -17.8474 -17.8468 -17.8468 -17.7659 -17.7659 -17.7617 -17.7617 2.3418 2.3418 2.3539 2.3539 3.5097 3.5097 3.5159 3.5159 7.2637 7.2637 7.2756 7.2756 9.0753 9.0753 9.0818 9.0818 10.1658 10.1658 10.2700 10.2700 10.9834 10.9834 11.0282 11.0282 11.1518 11.1518 11.3363 11.3363 13.5476 13.5476 13.5594 13.5594 14.2077 14.2077 14.2116 14.2116 k = 0.1628 0.5000-0.0000 ( 4276 PWs) bands (ev): -42.2065 -42.2065 -42.2065 -42.2065 -19.8806 -19.8806 -19.8782 -19.8782 -17.8478 -17.8478 -17.8472 -17.8472 -17.7671 -17.7671 -17.7627 -17.7627 2.3704 2.3704 2.3832 2.3832 3.5258 3.5258 3.5325 3.5325 7.2965 7.2965 7.3106 7.3106 8.9735 8.9735 8.9775 8.9775 10.1302 10.1302 10.2317 10.2317 10.9537 10.9537 10.9911 10.9911 11.1095 11.1095 11.3022 11.3022 13.6119 13.6119 13.6218 13.6218 14.2228 14.2228 14.2288 14.2288 k = 0.1744 0.5000-0.0000 ( 4272 PWs) bands (ev): -42.2063 -42.2063 -42.2063 -42.2063 -19.8812 -19.8812 -19.8788 -19.8788 -17.8483 -17.8483 -17.8477 -17.8477 -17.7684 -17.7684 -17.7638 -17.7638 2.4010 2.4010 2.4143 2.4143 3.5427 3.5427 3.5498 3.5498 7.3303 7.3303 7.3471 7.3471 8.8714 8.8714 8.8726 8.8726 10.0938 10.0938 10.1910 10.1910 10.9202 10.9202 10.9504 10.9504 11.0690 11.0690 11.2676 11.2676 13.6698 13.6698 13.6769 13.6769 14.2394 14.2394 14.2474 14.2474 k = 0.1860 0.5000-0.0000 ( 4270 PWs) bands (ev): -42.2061 -42.2061 -42.2061 -42.2061 -19.8819 -19.8819 -19.8793 -19.8793 -17.8488 -17.8488 -17.8483 -17.8483 -17.7696 -17.7696 -17.7649 -17.7649 2.4333 2.4333 2.4472 2.4472 3.5603 3.5603 3.5679 3.5679 7.3649 7.3649 7.3848 7.3848 8.7679 8.7679 8.7698 8.7698 10.0567 10.0567 10.1482 10.1482 10.8813 10.8813 10.9061 10.9061 11.0321 11.0321 11.2330 11.2330 13.7211 13.7211 13.7246 13.7246 14.2570 14.2570 14.2667 14.2667 k = 0.1977 0.5000-0.0000 ( 4270 PWs) bands (ev): -42.2059 -42.2059 -42.2059 -42.2059 -19.8826 -19.8826 -19.8800 -19.8800 -17.8494 -17.8494 -17.8489 -17.8489 -17.7707 -17.7707 -17.7660 -17.7660 2.4675 2.4675 2.4818 2.4818 3.5785 3.5785 3.5865 3.5865 7.3996 7.3996 7.4231 7.4231 8.6641 8.6641 8.6694 8.6694 10.0191 10.0191 10.1036 10.1036 10.8364 10.8364 10.8583 10.8583 10.9998 10.9998 11.1987 11.1987 13.7652 13.7652 13.7656 13.7656 14.2752 14.2752 14.2860 14.2860 k = 0.2093 0.5000-0.0000 ( 4270 PWs) bands (ev): -42.2058 -42.2058 -42.2057 -42.2057 -19.8833 -19.8833 -19.8806 -19.8806 -17.8501 -17.8501 -17.8496 -17.8496 -17.7719 -17.7719 -17.7671 -17.7671 2.5033 2.5033 2.5180 2.5180 3.5971 3.5971 3.6056 3.6056 7.4340 7.4340 7.4615 7.4615 8.5620 8.5620 8.5710 8.5710 9.9814 9.9814 10.0576 10.0576 10.7863 10.7863 10.8073 10.8073 10.9715 10.9715 11.1648 11.1648 13.7993 13.7993 13.8039 13.8039 14.2938 14.2938 14.3047 14.3047 k = 0.2209 0.5000-0.0000 ( 4266 PWs) bands (ev): -42.2055 -42.2055 -42.2055 -42.2055 -19.8840 -19.8840 -19.8813 -19.8813 -17.8508 -17.8508 -17.8504 -17.8504 -17.7729 -17.7729 -17.7682 -17.7682 2.5408 2.5408 2.5558 2.5558 3.6161 3.6161 3.6250 3.6250 7.4670 7.4670 7.4993 7.4993 8.4625 8.4625 8.4755 8.4755 9.9438 9.9438 10.0105 10.0105 10.7326 10.7326 10.7536 10.7536 10.9463 10.9463 11.1313 11.1313 13.8281 13.8281 13.8366 13.8366 14.3122 14.3122 14.3225 14.3225 k = 0.2326 0.5000-0.0000 ( 4254 PWs) bands (ev): -42.2052 -42.2052 -42.2052 -42.2052 -19.8847 -19.8847 -19.8819 -19.8819 -17.8516 -17.8516 -17.8513 -17.8513 -17.7739 -17.7739 -17.7692 -17.7692 2.5798 2.5798 2.5950 2.5950 3.6353 3.6353 3.6447 3.6447 7.4978 7.4978 7.5352 7.5352 8.3668 8.3668 8.3841 8.3841 9.9066 9.9066 9.9626 9.9626 10.6766 10.6766 10.6981 10.6981 10.9228 10.9228 11.0980 11.0980 13.8524 13.8524 13.8645 13.8645 14.3303 14.3303 14.3390 14.3390 k = 0.2442 0.5000-0.0000 ( 4258 PWs) bands (ev): -42.2051 -42.2051 -42.2051 -42.2051 -19.8854 -19.8854 -19.8826 -19.8826 -17.8525 -17.8525 -17.8522 -17.8522 -17.7748 -17.7748 -17.7701 -17.7701 2.6202 2.6202 2.6356 2.6356 3.6546 3.6546 3.6643 3.6643 7.5246 7.5246 7.5677 7.5677 8.2767 8.2767 8.2982 8.2982 9.8701 9.8701 9.9143 9.9143 10.6199 10.6199 10.6413 10.6413 10.9002 10.9002 11.0646 11.0646 13.8734 13.8734 13.8886 13.8886 14.3477 14.3477 14.3544 14.3544 k = 0.2558 0.5000-0.0000 ( 4254 PWs) bands (ev): -42.2048 -42.2048 -42.2048 -42.2048 -19.8861 -19.8861 -19.8833 -19.8833 -17.8534 -17.8534 -17.8532 -17.8532 -17.7757 -17.7757 -17.7710 -17.7710 2.6621 2.6621 2.6774 2.6774 3.6737 3.6737 3.6839 3.6839 7.5454 7.5454 7.5943 7.5943 8.1945 8.1945 8.2199 8.2199 9.8346 9.8346 9.8660 9.8660 10.5633 10.5633 10.5840 10.5840 10.8780 10.8780 11.0310 11.0310 13.8918 13.8918 13.9095 13.9095 14.3646 14.3646 14.3687 14.3687 k = 0.2674 0.5000-0.0000 ( 4262 PWs) bands (ev): -42.2047 -42.2047 -42.2047 -42.2047 -19.8869 -19.8869 -19.8841 -19.8841 -17.8544 -17.8544 -17.8543 -17.8543 -17.7764 -17.7764 -17.7719 -17.7719 2.7051 2.7051 2.7204 2.7204 3.6925 3.6925 3.7031 3.7031 7.5576 7.5576 7.6110 7.6110 8.1240 8.1240 8.1518 8.1518 9.8006 9.8006 9.8182 9.8182 10.5078 10.5078 10.5271 10.5271 10.8557 10.8557 10.9969 10.9969 13.9083 13.9083 13.9280 13.9280 14.3810 14.3810 14.3823 14.3823 k = 0.2791 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2045 -42.2045 -42.2045 -42.2045 -19.8876 -19.8876 -19.8848 -19.8848 -17.8554 -17.8554 -17.8554 -17.8554 -17.7771 -17.7771 -17.7727 -17.7727 2.7493 2.7493 2.7645 2.7645 3.7108 3.7108 3.7218 3.7218 7.5577 7.5577 7.6129 7.6129 8.0701 8.0701 8.0969 8.0969 9.7682 9.7682 9.7713 9.7713 10.4540 10.4540 10.4711 10.4711 10.8329 10.8329 10.9622 10.9622 13.9234 13.9234 13.9446 13.9446 14.3955 14.3955 14.3970 14.3970 k = 0.2907 0.5000-0.0000 ( 4264 PWs) bands (ev): -42.2043 -42.2043 -42.2043 -42.2043 -19.8882 -19.8882 -19.8855 -19.8855 -17.8566 -17.8566 -17.8565 -17.8565 -17.7776 -17.7776 -17.7734 -17.7734 2.7946 2.7946 2.8095 2.8095 3.7284 3.7284 3.7397 3.7397 7.5433 7.5433 7.5956 7.5956 8.0370 8.0370 8.0577 8.0577 9.7260 9.7260 9.7380 9.7380 10.4024 10.4024 10.4168 10.4168 10.8095 10.8095 10.9268 10.9268 13.9374 13.9374 13.9595 13.9595 14.4084 14.4084 14.4127 14.4127 k = 0.3023 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2041 -42.2041 -42.2041 -42.2041 -19.8889 -19.8889 -19.8862 -19.8862 -17.8578 -17.8578 -17.8576 -17.8576 -17.7781 -17.7781 -17.7741 -17.7741 2.8407 2.8407 2.8552 2.8552 3.7451 3.7451 3.7567 3.7567 7.5139 7.5139 7.5589 7.5589 8.0244 8.0244 8.0345 8.0345 9.6828 9.6828 9.7101 9.7101 10.3536 10.3536 10.3648 10.3648 10.7854 10.7854 10.8905 10.8905 13.9506 13.9506 13.9732 13.9732 14.4212 14.4212 14.4283 14.4283 k = 0.3140 0.5000-0.0000 ( 4272 PWs) bands (ev): -42.2040 -42.2040 -42.2040 -42.2040 -19.8896 -19.8896 -19.8870 -19.8870 -17.8590 -17.8590 -17.8587 -17.8587 -17.7785 -17.7785 -17.7747 -17.7747 2.8875 2.8875 2.9016 2.9016 3.7606 3.7606 3.7726 3.7726 7.4718 7.4718 7.5078 7.5078 8.0247 8.0247 8.0273 8.0273 9.6423 9.6423 9.6851 9.6851 10.3079 10.3079 10.3157 10.3157 10.7604 10.7604 10.8534 10.8534 13.9630 13.9630 13.9857 13.9857 14.4341 14.4341 14.4437 14.4437 k = 0.3256 0.5000-0.0000 ( 4268 PWs) bands (ev): -42.2038 -42.2038 -42.2038 -42.2038 -19.8902 -19.8902 -19.8877 -19.8877 -17.8602 -17.8602 -17.8599 -17.8599 -17.7789 -17.7789 -17.7752 -17.7752 2.9349 2.9349 2.9485 2.9485 3.7748 3.7748 3.7870 3.7870 7.4209 7.4209 7.4483 7.4483 8.0242 8.0242 8.0391 8.0391 9.6053 9.6053 9.6629 9.6629 10.2658 10.2658 10.2700 10.2700 10.7344 10.7344 10.8154 10.8154 13.9748 13.9748 13.9971 13.9971 14.4471 14.4471 14.4589 14.4589 k = 0.3372 0.5000-0.0000 ( 4272 PWs) bands (ev): -42.2037 -42.2037 -42.2037 -42.2037 -19.8908 -19.8908 -19.8884 -19.8884 -17.8614 -17.8614 -17.8611 -17.8611 -17.7792 -17.7792 -17.7757 -17.7757 2.9828 2.9828 2.9957 2.9957 3.7875 3.7875 3.7998 3.7998 7.3653 7.3653 7.3853 7.3853 8.0291 8.0291 8.0549 8.0549 9.5723 9.5723 9.6439 9.6439 10.2274 10.2274 10.2282 10.2282 10.7074 10.7074 10.7766 10.7766 13.9858 13.9858 14.0075 14.0075 14.4602 14.4602 14.4738 14.4738 k = 0.3488 0.5000-0.0000 ( 4272 PWs) bands (ev): -42.2035 -42.2035 -42.2035 -42.2035 -19.8913 -19.8913 -19.8890 -19.8890 -17.8626 -17.8626 -17.8622 -17.8622 -17.7794 -17.7794 -17.7762 -17.7762 3.0308 3.0308 3.0430 3.0430 3.7983 3.7983 3.8107 3.8107 7.3078 7.3078 7.3218 7.3218 8.0364 8.0364 8.0713 8.0713 9.5439 9.5439 9.6280 9.6280 10.1910 10.1910 10.1931 10.1931 10.6793 10.6793 10.7369 10.7369 13.9962 13.9962 14.0169 14.0169 14.4732 14.4732 14.4884 14.4884 k = 0.3605 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2032 -42.2032 -42.2032 -42.2032 -19.8918 -19.8918 -19.8897 -19.8897 -17.8638 -17.8638 -17.8633 -17.8633 -17.7795 -17.7795 -17.7766 -17.7766 3.0788 3.0788 3.0902 3.0902 3.8071 3.8071 3.8195 3.8195 7.2506 7.2506 7.2598 7.2598 8.0442 8.0442 8.0862 8.0862 9.5206 9.5206 9.6150 9.6150 10.1588 10.1588 10.1631 10.1631 10.6503 10.6503 10.6965 10.6965 14.0057 14.0057 14.0253 14.0253 14.4861 14.4861 14.5024 14.5024 k = 0.3721 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2031 -42.2031 -42.2031 -42.2031 -19.8923 -19.8923 -19.8903 -19.8903 -17.8649 -17.8649 -17.8644 -17.8644 -17.7796 -17.7796 -17.7769 -17.7769 3.1266 3.1266 3.1371 3.1371 3.8137 3.8137 3.8261 3.8261 7.1952 7.1952 7.2006 7.2006 8.0511 8.0511 8.0984 8.0984 9.5025 9.5025 9.6047 9.6047 10.1321 10.1321 10.1377 10.1377 10.6201 10.6201 10.6555 10.6555 14.0144 14.0144 14.0327 14.0327 14.4987 14.4987 14.5156 14.5156 k = 0.3837 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2030 -42.2030 -42.2030 -42.2030 -19.8928 -19.8928 -19.8909 -19.8909 -17.8660 -17.8660 -17.8655 -17.8655 -17.7797 -17.7797 -17.7772 -17.7772 3.1739 3.1739 3.1834 3.1834 3.8180 3.8180 3.8301 3.8301 7.1426 7.1426 7.1450 7.1450 8.0567 8.0567 8.1071 8.1071 9.4897 9.4897 9.5965 9.5965 10.1113 10.1113 10.1170 10.1170 10.5890 10.5890 10.6139 10.6139 14.0222 14.0222 14.0391 14.0391 14.5109 14.5109 14.5280 14.5280 k = 0.3953 0.5000-0.0000 ( 4252 PWs) bands (ev): -42.2028 -42.2028 -42.2028 -42.2028 -19.8931 -19.8931 -19.8914 -19.8914 -17.8669 -17.8669 -17.8665 -17.8665 -17.7797 -17.7797 -17.7775 -17.7775 3.2203 3.2203 3.2288 3.2288 3.8199 3.8199 3.8316 3.8316 7.0935 7.0935 7.0937 7.0937 8.0606 8.0606 8.1123 8.1123 9.4818 9.4818 9.5898 9.5898 10.0969 10.0969 10.1014 10.1014 10.5569 10.5569 10.5720 10.5720 14.0291 14.0291 14.0445 14.0445 14.5224 14.5224 14.5392 14.5392 k = 0.4070 0.5000-0.0000 ( 4248 PWs) bands (ev): -42.2026 -42.2026 -42.2026 -42.2026 -19.8935 -19.8935 -19.8919 -19.8919 -17.8678 -17.8678 -17.8674 -17.8674 -17.7797 -17.7797 -17.7777 -17.7777 3.2655 3.2655 3.2729 3.2729 3.8192 3.8192 3.8305 3.8305 7.0470 7.0470 7.0484 7.0484 8.0631 8.0631 8.1141 8.1141 9.4785 9.4785 9.5840 9.5840 10.0891 10.0891 10.0910 10.0910 10.5240 10.5240 10.5299 10.5299 14.0351 14.0351 14.0489 14.0489 14.5330 14.5330 14.5492 14.5492 k = 0.4186 0.5000-0.0000 ( 4246 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8938 -19.8938 -19.8924 -19.8924 -17.8687 -17.8687 -17.8682 -17.8682 -17.7796 -17.7796 -17.7779 -17.7779 3.3091 3.3091 3.3153 3.3153 3.8161 3.8161 3.8268 3.8268 7.0054 7.0054 7.0079 7.0079 8.0643 8.0643 8.1128 8.1128 9.4789 9.4789 9.5785 9.5785 10.0859 10.0859 10.0878 10.0878 10.4879 10.4879 10.4903 10.4903 14.0403 14.0403 14.0524 14.0524 14.5428 14.5428 14.5578 14.5578 k = 0.4302 0.5000-0.0000 ( 4256 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8941 -19.8941 -19.8929 -19.8929 -17.8694 -17.8694 -17.8690 -17.8690 -17.7796 -17.7796 -17.7781 -17.7781 3.3505 3.3505 3.3555 3.3555 3.8108 3.8108 3.8207 3.8207 6.9690 6.9690 6.9721 6.9721 8.0647 8.0647 8.1092 8.1092 9.4824 9.4824 9.5728 9.5728 10.0864 10.0864 10.0929 10.0929 10.4462 10.4462 10.4560 10.4560 14.0446 14.0446 14.0551 14.0551 14.5514 14.5514 14.5649 14.5649 k = 0.4419 0.5000-0.0000 ( 4256 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8943 -19.8943 -19.8932 -19.8932 -17.8700 -17.8700 -17.8696 -17.8696 -17.7795 -17.7795 -17.7783 -17.7783 3.3890 3.3890 3.3929 3.3929 3.8036 3.8036 3.8125 3.8125 6.9382 6.9382 6.9414 6.9414 8.0647 8.0647 8.1038 8.1038 9.4880 9.4880 9.5667 9.5667 10.0921 10.0921 10.1038 10.1038 10.4054 10.4054 10.4214 10.4214 14.0483 14.0483 14.0570 14.0570 14.5589 14.5589 14.5707 14.5707 k = 0.4535 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8936 -19.8936 -17.8705 -17.8705 -17.8702 -17.8702 -17.7794 -17.7794 -17.7784 -17.7784 3.4238 3.4238 3.4265 3.4265 3.7952 3.7952 3.8028 3.8028 6.9129 6.9129 6.9159 6.9159 8.0649 8.0649 8.0974 8.0974 9.4952 9.4952 9.5601 9.5601 10.1030 10.1030 10.1196 10.1196 10.3660 10.3660 10.3869 10.3869 14.0513 14.0513 14.0583 14.0583 14.5653 14.5653 14.5750 14.5750 k = 0.4651 0.5000-0.0000 ( 4264 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8945 -19.8945 -19.8939 -19.8939 -17.8709 -17.8709 -17.8707 -17.8707 -17.7793 -17.7793 -17.7786 -17.7786 3.4536 3.4536 3.4554 3.4554 3.7864 3.7864 3.7925 3.7925 6.8933 6.8933 6.8958 6.8958 8.0655 8.0655 8.0906 8.0906 9.5032 9.5032 9.5529 9.5529 10.1185 10.1185 10.1387 10.1387 10.3290 10.3290 10.3530 10.3530 14.0537 14.0537 14.0590 14.0590 14.5705 14.5705 14.5779 14.5779 k = 0.4767 0.5000-0.0000 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8945 -19.8945 -19.8941 -19.8941 -17.8712 -17.8712 -17.8710 -17.8710 -17.7792 -17.7792 -17.7787 -17.7787 3.4769 3.4769 3.4779 3.4779 3.7786 3.7786 3.7829 3.7829 6.8794 6.8794 6.8813 6.8813 8.0670 8.0670 8.0841 8.0841 9.5117 9.5117 9.5453 9.5453 10.1376 10.1376 10.1589 10.1589 10.2967 10.2967 10.3207 10.3207 14.0556 14.0556 14.0591 14.0591 14.5746 14.5746 14.5796 14.5796 k = 0.4884 0.5000-0.0000 ( 4260 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8945 -19.8945 -19.8943 -19.8943 -17.8713 -17.8713 -17.8712 -17.8712 -17.7791 -17.7791 -17.7788 -17.7788 3.4920 3.4920 3.4925 3.4925 3.7734 3.7734 3.7756 3.7756 6.8713 6.8713 6.8723 6.8723 8.0696 8.0696 8.0782 8.0782 9.5203 9.5203 9.5372 9.5372 10.1579 10.1579 10.1740 10.1740 10.2747 10.2747 10.2922 10.2922 14.0571 14.0571 14.0589 14.0589 14.5775 14.5775 14.5801 14.5801 k = 0.5000 0.5000-0.0000 ( 4252 PWs) bands (ev): -42.2022 -42.2022 -42.2022 -42.2022 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4974 3.4974 3.4974 3.4974 3.7722 3.7722 3.7722 3.7722 6.8689 6.8689 6.8689 6.8689 8.0733 8.0733 8.0733 8.0733 9.5289 9.5289 9.5289 9.5289 10.1737 10.1737 10.1737 10.1737 10.2732 10.2732 10.2732 10.2732 14.0582 14.0582 14.0582 14.0582 14.5794 14.5794 14.5794 14.5794 k = 0.5000 0.5000-0.0000 ( 4252 PWs) bands (ev): -42.2022 -42.2022 -42.2022 -42.2022 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4974 3.4974 3.4974 3.4974 3.7722 3.7722 3.7722 3.7722 6.8689 6.8689 6.8689 6.8689 8.0733 8.0733 8.0733 8.0733 9.5289 9.5289 9.5289 9.5289 10.1737 10.1737 10.1737 10.1737 10.2732 10.2732 10.2732 10.2732 14.0582 14.0582 14.0582 14.0582 14.5794 14.5794 14.5794 14.5794 k = 0.4917 0.4917-0.0000 ( 4260 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8945 -19.8945 -19.8943 -19.8943 -17.8713 -17.8713 -17.8712 -17.8712 -17.7791 -17.7791 -17.7788 -17.7788 3.4864 3.4864 3.4979 3.4979 3.7730 3.7730 3.7761 3.7761 6.8680 6.8680 6.8757 6.8757 8.0695 8.0695 8.0783 8.0783 9.5202 9.5202 9.5374 9.5374 10.1545 10.1545 10.1780 10.1780 10.2720 10.2720 10.2945 10.2945 14.0558 14.0558 14.0602 14.0602 14.5775 14.5775 14.5801 14.5801 k = 0.4833 0.4833-0.0000 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8945 -19.8945 -19.8941 -19.8941 -17.8712 -17.8712 -17.8710 -17.8710 -17.7792 -17.7792 -17.7787 -17.7787 3.4554 3.4554 3.4994 3.4994 3.7764 3.7764 3.7847 3.7847 6.8655 6.8655 6.8955 6.8955 8.0670 8.0670 8.0846 8.0846 9.5108 9.5108 9.5456 9.5456 10.1232 10.1232 10.1783 10.1783 10.2836 10.2836 10.3296 10.3296 14.0492 14.0492 14.0656 14.0656 14.5742 14.5742 14.5798 14.5798 k = 0.4750 0.4750-0.0000 ( 4268 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8945 -19.8945 -19.8939 -19.8939 -17.8709 -17.8709 -17.8706 -17.8706 -17.7793 -17.7793 -17.7786 -17.7786 3.4085 3.4085 3.5017 3.5017 3.7821 3.7821 3.7945 3.7945 6.8614 6.8614 6.9279 6.9279 8.0662 8.0662 8.0924 8.0924 9.4998 9.4998 9.5533 9.5533 10.0902 10.0902 10.1777 10.1777 10.3042 10.3042 10.3700 10.3700 14.0382 14.0382 14.0746 14.0746 14.5695 14.5695 14.5784 14.5784 k = 0.4667 0.4667-0.0000 ( 4264 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8936 -19.8936 -17.8705 -17.8705 -17.8702 -17.8702 -17.7795 -17.7795 -17.7784 -17.7784 3.3496 3.3496 3.5050 3.5050 3.7899 3.7899 3.8030 3.8030 6.8559 6.8559 6.9716 6.9716 8.0676 8.0676 8.1020 8.1020 9.4858 9.4858 9.5601 9.5601 10.0611 10.0611 10.1769 10.1769 10.3321 10.3321 10.4122 10.4122 14.0231 14.0231 14.0870 14.0870 14.5636 14.5636 14.5753 14.5753 k = 0.4583 0.4583-0.0000 ( 4264 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8943 -19.8943 -19.8932 -19.8932 -17.8700 -17.8700 -17.8696 -17.8696 -17.7796 -17.7796 -17.7782 -17.7782 3.2811 3.2811 3.5090 3.5090 3.7986 3.7986 3.8094 3.8094 6.8490 6.8490 7.0253 7.0253 8.0722 8.0722 8.1137 8.1137 9.4668 9.4668 9.5653 9.5653 10.0398 10.0398 10.1760 10.1760 10.3663 10.3663 10.4553 10.4553 14.0038 14.0038 14.1028 14.1028 14.5568 14.5568 14.5701 14.5701 k = 0.4500 0.4500-0.0000 ( 4261 PWs) bands (ev): -42.2026 -42.2026 -42.2025 -42.2025 -19.8941 -19.8941 -19.8928 -19.8928 -17.8693 -17.8693 -17.8688 -17.8688 -17.7798 -17.7798 -17.7780 -17.7780 3.2051 3.2051 3.5137 3.5137 3.8027 3.8027 3.8183 3.8183 6.8411 6.8411 7.0871 7.0871 8.0811 8.0811 8.1279 8.1279 9.4408 9.4408 9.5692 9.5692 10.0290 10.0290 10.1753 10.1753 10.4054 10.4054 10.4990 10.4990 13.9808 13.9808 14.1218 14.1218 14.5492 14.5492 14.5626 14.5626 k = 0.4417 0.4417-0.0000 ( 4259 PWs) bands (ev): -42.2026 -42.2026 -42.2026 -42.2026 -19.8938 -19.8938 -19.8923 -19.8923 -17.8686 -17.8686 -17.8680 -17.8680 -17.7799 -17.7799 -17.7777 -17.7777 3.1229 3.1229 3.5189 3.5189 3.7992 3.7992 3.8326 3.8326 6.8324 6.8324 7.1548 7.1548 8.0950 8.0950 8.1456 8.1456 9.4061 9.4061 9.5719 9.5719 10.0301 10.0301 10.1750 10.1750 10.4479 10.4479 10.5435 10.5435 13.9540 13.9540 14.1439 14.1439 14.5390 14.5390 14.5547 14.5547 k = 0.4333 0.4333-0.0000 ( 4259 PWs) bands (ev): -42.2027 -42.2027 -42.2027 -42.2027 -19.8935 -19.8935 -19.8917 -19.8917 -17.8677 -17.8677 -17.8670 -17.8670 -17.7801 -17.7801 -17.7775 -17.7775 3.0355 3.0355 3.5246 3.5246 3.7899 3.7899 3.8501 3.8501 6.8232 6.8232 7.2262 7.2262 8.1143 8.1143 8.1684 8.1684 9.3626 9.3626 9.5740 9.5740 10.0433 10.0433 10.1754 10.1754 10.4924 10.4924 10.5889 10.5889 13.9237 13.9237 14.1689 14.1689 14.5230 14.5230 14.5499 14.5499 k = 0.4250 0.4250-0.0000 ( 4261 PWs) bands (ev): -42.2029 -42.2029 -42.2028 -42.2028 -19.8932 -19.8932 -19.8911 -19.8911 -17.8667 -17.8667 -17.8659 -17.8659 -17.7803 -17.7803 -17.7772 -17.7772 2.9440 2.9440 3.5304 3.5304 3.7758 3.7758 3.8703 3.8703 6.8137 6.8137 7.2988 7.2988 8.1377 8.1377 8.1996 8.1996 9.3111 9.3111 9.5758 9.5758 10.0675 10.0675 10.1768 10.1768 10.5372 10.5372 10.6354 10.6354 13.8902 13.8902 14.1965 14.1965 14.5006 14.5006 14.5496 14.5496 k = 0.4167 0.4167-0.0000 ( 4263 PWs) bands (ev): -42.2030 -42.2030 -42.2030 -42.2030 -19.8928 -19.8928 -19.8905 -19.8905 -17.8656 -17.8656 -17.8647 -17.8647 -17.7805 -17.7805 -17.7769 -17.7769 2.8491 2.8491 3.5362 3.5362 3.7571 3.7571 3.8929 3.8929 6.8044 6.8044 7.3703 7.3703 8.1627 8.1627 8.2437 8.2437 9.2532 9.2532 9.5774 9.5774 10.1009 10.1009 10.1794 10.1794 10.5809 10.5809 10.6832 10.6832 13.8537 13.8537 14.2264 14.2264 14.4722 14.4722 14.5542 14.5542 k = 0.4083 0.4083-0.0000 ( 4253 PWs) bands (ev): -42.2031 -42.2031 -42.2031 -42.2031 -19.8924 -19.8924 -19.8898 -19.8898 -17.8644 -17.8644 -17.8634 -17.8634 -17.7807 -17.7807 -17.7765 -17.7765 2.7515 2.7515 3.5418 3.5418 3.7341 3.7341 3.9180 3.9180 6.7956 6.7956 7.4389 7.4389 8.1880 8.1880 8.3035 8.3035 9.1906 9.1906 9.5787 9.5787 10.1422 10.1422 10.1837 10.1837 10.6222 10.6222 10.7325 10.7325 13.8143 13.8143 14.2582 14.2582 14.4381 14.4381 14.5648 14.5648 k = 0.4000 0.4000-0.0000 ( 4265 PWs) bands (ev): -42.2034 -42.2034 -42.2033 -42.2033 -19.8919 -19.8919 -19.8890 -19.8890 -17.8630 -17.8630 -17.8620 -17.8620 -17.7809 -17.7809 -17.7762 -17.7762 2.6519 2.6519 3.5470 3.5470 3.7072 3.7072 3.9455 3.9455 6.7876 6.7876 7.5034 7.5034 8.2134 8.2134 8.3796 8.3796 9.1249 9.1249 9.5796 9.5796 10.1871 10.1871 10.1926 10.1926 10.6598 10.6598 10.7832 10.7832 13.7722 13.7722 14.2906 14.2906 14.3994 14.3994 14.5820 14.5820 k = 0.3917 0.3917-0.0000 ( 4261 PWs) bands (ev): -42.2035 -42.2035 -42.2035 -42.2035 -19.8914 -19.8914 -19.8882 -19.8882 -17.8616 -17.8616 -17.8604 -17.8604 -17.7811 -17.7811 -17.7758 -17.7758 2.5506 2.5506 3.5514 3.5514 3.6767 3.6767 3.9753 3.9753 6.7808 6.7808 7.5639 7.5639 8.2396 8.2396 8.4710 8.4710 9.0576 9.0576 9.5799 9.5799 10.1979 10.1979 10.2431 10.2431 10.6929 10.6929 10.8355 10.8355 13.7277 13.7277 14.3149 14.3149 14.3649 14.3649 14.6066 14.6066 k = 0.3833 0.3833-0.0000 ( 4269 PWs) bands (ev): -42.2038 -42.2038 -42.2037 -42.2037 -19.8909 -19.8909 -19.8873 -19.8873 -17.8601 -17.8601 -17.8588 -17.8588 -17.7814 -17.7814 -17.7753 -17.7753 2.4482 2.4482 3.5548 3.5548 3.6428 3.6428 4.0075 4.0075 6.7755 6.7755 7.6210 7.6210 8.2668 8.2668 8.5760 8.5760 8.9898 8.9898 9.5793 9.5793 10.2087 10.2087 10.3002 10.3002 10.7206 10.7206 10.8895 10.8895 13.6808 13.6808 14.2877 14.2877 14.3778 14.3778 14.6388 14.6388 k = 0.3750 0.3750-0.0000 ( 4277 PWs) bands (ev): -42.2040 -42.2040 -42.2039 -42.2039 -19.8903 -19.8903 -19.8864 -19.8864 -17.8585 -17.8585 -17.8571 -17.8571 -17.7816 -17.7816 -17.7749 -17.7749 2.3451 2.3451 3.5568 3.5568 3.6060 3.6060 4.0421 4.0421 6.7722 6.7722 7.6759 7.6759 8.2953 8.2953 8.6923 8.6923 8.9229 8.9229 9.5779 9.5779 10.2221 10.2221 10.3608 10.3608 10.7423 10.7423 10.9455 10.9455 13.6316 13.6316 14.2336 14.2336 14.4136 14.4136 14.6778 14.6778 k = 0.3667 0.3667-0.0000 ( 4273 PWs) bands (ev): -42.2042 -42.2042 -42.2041 -42.2041 -19.8896 -19.8896 -19.8854 -19.8854 -17.8567 -17.8567 -17.8552 -17.8552 -17.7818 -17.7818 -17.7744 -17.7744 2.2416 2.2416 3.5558 3.5558 3.5678 3.5678 4.0791 4.0791 6.7712 6.7712 7.7299 7.7299 8.3249 8.3249 8.8134 8.8134 8.8622 8.8622 9.5756 9.5756 10.2383 10.2383 10.4238 10.4238 10.7578 10.7578 11.0037 11.0037 13.5804 13.5804 14.1720 14.1720 14.4529 14.4529 14.7206 14.7206 k = 0.3583 0.3583-0.0000 ( 4271 PWs) bands (ev): -42.2044 -42.2044 -42.2043 -42.2043 -19.8890 -19.8890 -19.8844 -19.8844 -17.8549 -17.8549 -17.8533 -17.8533 -17.7821 -17.7821 -17.7739 -17.7739 2.1381 2.1381 3.5229 3.5229 3.5574 3.5574 4.1184 4.1184 6.7727 6.7727 7.7841 7.7841 8.3557 8.3557 8.7905 8.7905 8.9552 8.9552 9.5724 9.5724 10.2572 10.2572 10.4883 10.4883 10.7677 10.7677 11.0642 11.0642 13.5271 13.5271 14.1052 14.1052 14.4935 14.4935 14.7600 14.7600 k = 0.3500 0.3500-0.0000 ( 4281 PWs) bands (ev): -42.2047 -42.2047 -42.2046 -42.2046 -19.8883 -19.8883 -19.8834 -19.8834 -17.8530 -17.8530 -17.8513 -17.8513 -17.7824 -17.7824 -17.7734 -17.7734 2.0349 2.0349 3.4788 3.4788 3.5538 3.5538 4.1600 4.1600 6.7772 6.7772 7.8396 7.8396 8.3870 8.3870 8.7311 8.7311 9.0930 9.0930 9.5687 9.5687 10.2790 10.2790 10.5526 10.5526 10.7733 10.7733 11.1274 11.1274 13.4719 13.4719 14.0338 14.0338 14.5347 14.5347 14.7821 14.7821 k = 0.3417 0.3417-0.0000 ( 4273 PWs) bands (ev): -42.2049 -42.2049 -42.2048 -42.2048 -19.8875 -19.8875 -19.8822 -19.8822 -17.8510 -17.8510 -17.8491 -17.8491 -17.7826 -17.7826 -17.7728 -17.7728 1.9321 1.9321 3.4326 3.4326 3.5482 3.5482 4.2040 4.2040 6.7849 6.7849 7.8970 7.8970 8.4180 8.4180 8.6761 8.6761 9.2338 9.2338 9.5653 9.5653 10.3036 10.3036 10.6137 10.6137 10.7784 10.7784 11.1932 11.1932 13.4147 13.4147 13.9584 13.9584 14.5762 14.5762 14.7749 14.7749 k = 0.3333 0.3333-0.0000 ( 4269 PWs) bands (ev): -42.2052 -42.2052 -42.2049 -42.2049 -19.8868 -19.8868 -19.8811 -19.8811 -17.8490 -17.8490 -17.8470 -17.8470 -17.7829 -17.7829 -17.7722 -17.7722 1.8300 1.8300 3.3848 3.3848 3.5401 3.5401 4.2502 4.2502 6.7960 6.7960 7.9567 7.9567 8.4461 8.4461 8.6289 8.6289 9.3716 9.3716 9.5655 9.5655 10.3307 10.3307 10.6637 10.6637 10.7918 10.7918 11.2619 11.2619 13.3556 13.3556 13.8797 13.8797 14.6173 14.6173 14.7434 14.7434 k = 0.3250 0.3250-0.0000 ( 4261 PWs) bands (ev): -42.2054 -42.2054 -42.2051 -42.2051 -19.8860 -19.8860 -19.8799 -19.8799 -17.8468 -17.8468 -17.8447 -17.8447 -17.7831 -17.7831 -17.7716 -17.7716 1.7287 1.7287 3.3356 3.3356 3.5293 3.5293 4.2988 4.2988 6.8108 6.8108 8.0191 8.0191 8.4635 8.4635 8.5976 8.5976 9.4829 9.4829 9.5905 9.5905 10.3604 10.3604 10.6912 10.6912 10.8268 10.8268 11.3335 11.3335 13.2947 13.2947 13.7979 13.7979 14.6580 14.6580 14.6991 14.6991 k = 0.3167 0.3167-0.0000 ( 4265 PWs) bands (ev): -42.2057 -42.2057 -42.2053 -42.2053 -19.8852 -19.8852 -19.8787 -19.8787 -17.8446 -17.8446 -17.8424 -17.8424 -17.7834 -17.7834 -17.7710 -17.7710 1.6286 1.6286 3.2854 3.2854 3.5156 3.5156 4.3497 4.3497 6.8294 6.8294 8.0841 8.0841 8.4575 8.4575 8.5956 8.5956 9.5147 9.5147 9.6898 9.6898 10.3923 10.3923 10.7007 10.7007 10.8818 10.8818 11.4079 11.4079 13.2319 13.2319 13.7137 13.7137 14.6492 14.6492 14.6979 14.6979 k = 0.3083 0.3083-0.0000 ( 4275 PWs) bands (ev): -42.2061 -42.2061 -42.2056 -42.2056 -19.8843 -19.8843 -19.8775 -19.8775 -17.8424 -17.8424 -17.8400 -17.8400 -17.7836 -17.7836 -17.7704 -17.7704 1.5297 1.5297 3.2345 3.2345 3.4990 3.4990 4.4028 4.4028 6.8520 6.8520 8.1516 8.1516 8.4320 8.4320 8.6192 8.6192 9.5142 9.5142 9.8115 9.8115 10.4264 10.4264 10.7083 10.7083 10.9455 10.9455 11.4851 11.4851 13.1673 13.1673 13.6277 13.6277 14.5974 14.5974 14.7366 14.7366 k = 0.3000 0.3000-0.0000 ( 4265 PWs) bands (ev): -42.2064 -42.2064 -42.2057 -42.2057 -19.8834 -19.8834 -19.8762 -19.8762 -17.8401 -17.8401 -17.8375 -17.8375 -17.7838 -17.7838 -17.7697 -17.7697 1.4321 1.4321 3.1830 3.1830 3.4793 3.4793 4.4583 4.4583 6.8786 6.8786 8.2211 8.2211 8.4014 8.4014 8.6545 8.6545 9.5079 9.5079 9.9224 9.9224 10.4630 10.4630 10.7262 10.7262 11.0120 11.0120 11.5649 11.5649 13.1008 13.1008 13.5405 13.5405 14.5455 14.5455 14.7740 14.7740 k = 0.2917 0.2917-0.0000 ( 4261 PWs) bands (ev): -42.2067 -42.2067 -42.2059 -42.2059 -19.8826 -19.8826 -19.8749 -19.8749 -17.8377 -17.8377 -17.8351 -17.8351 -17.7841 -17.7841 -17.7691 -17.7691 1.3360 1.3360 3.1311 3.1311 3.4567 3.4567 4.5159 4.5159 6.9091 6.9091 8.2906 8.2906 8.3737 8.3737 8.6950 8.6950 9.4999 9.4999 10.0101 10.0101 10.5025 10.5025 10.7643 10.7643 11.0789 11.0789 11.6470 11.6470 13.0326 13.0326 13.4528 13.4528 14.4946 14.4946 14.8097 14.8097 k = 0.2833 0.2833-0.0000 ( 4255 PWs) bands (ev): -42.2069 -42.2069 -42.2061 -42.2061 -19.8817 -19.8817 -19.8736 -19.8736 -17.8353 -17.8353 -17.8325 -17.8325 -17.7843 -17.7843 -17.7684 -17.7684 1.2416 1.2416 3.0792 3.0792 3.4311 3.4311 4.5759 4.5759 6.9435 6.9435 8.3327 8.3327 8.3786 8.3786 8.7386 8.7386 9.4913 9.4913 10.0681 10.0681 10.5451 10.5451 10.8293 10.8293 11.1451 11.1451 11.7309 11.7309 12.9625 12.9625 13.3656 13.3656 14.4456 14.4456 14.8436 14.8436 k = 0.2750 0.2750-0.0000 ( 4251 PWs) bands (ev): -42.2072 -42.2072 -42.2063 -42.2063 -19.8807 -19.8807 -19.8722 -19.8722 -17.8328 -17.8328 -17.8300 -17.8300 -17.7844 -17.7844 -17.7677 -17.7677 1.1488 1.1488 3.0274 3.0274 3.4026 3.4026 4.6380 4.6380 6.9816 6.9816 8.3179 8.3179 8.4455 8.4455 8.7843 8.7843 9.4823 9.4823 10.0970 10.0970 10.5901 10.5901 10.9213 10.9213 11.2101 11.2101 11.8159 11.8159 12.8909 12.8909 13.2799 13.2799 14.3992 14.3992 14.8754 14.8754 k = 0.2667 0.2667-0.0000 ( 4251 PWs) bands (ev): -42.2075 -42.2075 -42.2066 -42.2066 -19.8798 -19.8798 -19.8709 -19.8709 -17.8303 -17.8303 -17.8274 -17.8274 -17.7846 -17.7846 -17.7670 -17.7670 1.0579 1.0579 2.9759 2.9759 3.3715 3.3715 4.7023 4.7023 7.0231 7.0231 8.3024 8.3024 8.5178 8.5178 8.8317 8.8317 9.4734 9.4734 10.1043 10.1043 10.6365 10.6365 11.0337 11.0337 11.2737 11.2737 11.9013 11.9013 12.8176 12.8176 13.1970 13.1970 14.3560 14.3560 14.9048 14.9048 k = 0.2583 0.2583-0.0000 ( 4255 PWs) bands (ev): -42.2078 -42.2078 -42.2069 -42.2069 -19.8789 -19.8789 -19.8695 -19.8695 -17.8278 -17.8278 -17.8248 -17.8248 -17.7848 -17.7848 -17.7663 -17.7663 0.9689 0.9689 2.9249 2.9249 3.3378 3.3378 4.7688 4.7688 7.0677 7.0677 8.2919 8.2919 8.5891 8.5891 8.8804 8.8804 9.4645 9.4645 10.0989 10.0989 10.6839 10.6839 11.1570 11.1570 11.3371 11.3371 11.9855 11.9855 12.7430 12.7430 13.1189 13.1189 14.3165 14.3165 14.9319 14.9319 k = 0.2500 0.2500-0.0000 ( 4257 PWs) bands (ev): -42.2082 -42.2082 -42.2071 -42.2071 -19.8779 -19.8779 -19.8682 -19.8682 -17.8253 -17.8253 -17.8222 -17.8222 -17.7849 -17.7849 -17.7655 -17.7655 0.8820 0.8820 2.8745 2.8745 3.3017 3.3017 4.8375 4.8375 7.1151 7.1151 8.2871 8.2871 8.6574 8.6574 8.9302 8.9302 9.4559 9.4559 10.0882 10.0882 10.7321 10.7321 11.2784 11.2784 11.4054 11.4054 12.0665 12.0665 12.6672 12.6672 13.0482 13.0482 14.2815 14.2815 14.9563 14.9563 k = 0.2417 0.2417-0.0000 ( 4261 PWs) bands (ev): -42.2085 -42.2085 -42.2075 -42.2075 -19.8770 -19.8770 -19.8668 -19.8668 -17.8228 -17.8228 -17.8196 -17.8196 -17.7850 -17.7850 -17.7648 -17.7648 0.7971 0.7971 2.8249 2.8249 3.2637 3.2637 4.9082 4.9082 7.1649 7.1649 8.2884 8.2884 8.7209 8.7209 8.9804 8.9804 9.4476 9.4476 10.0782 10.0782 10.7810 10.7810 11.3755 11.3755 11.4951 11.4951 12.1415 12.1415 12.5905 12.5905 12.9888 12.9888 14.2515 14.2515 14.9781 14.9781 k = 0.2333 0.2333-0.0000 ( 4261 PWs) bands (ev): -42.2088 -42.2088 -42.2077 -42.2077 -19.8761 -19.8761 -19.8654 -19.8654 -17.8202 -17.8202 -17.8170 -17.8170 -17.7851 -17.7851 -17.7641 -17.7641 0.7144 0.7144 2.7762 2.7762 3.2238 3.2238 4.9811 4.9811 7.2165 7.2165 8.2961 8.2961 8.7778 8.7778 9.0302 9.0302 9.4396 9.4396 10.0734 10.0734 10.8307 10.8307 11.4374 11.4374 11.6126 11.6126 12.2063 12.2063 12.5131 12.5131 12.9459 12.9459 14.2273 14.2273 14.9971 14.9971 k = 0.2250 0.2250-0.0000 ( 4261 PWs) bands (ev): -42.2091 -42.2091 -42.2080 -42.2080 -19.8751 -19.8751 -19.8641 -19.8641 -17.8177 -17.8177 -17.8145 -17.8145 -17.7851 -17.7851 -17.7634 -17.7634 0.6340 0.6340 2.7285 2.7285 3.1824 3.1824 5.0560 5.0560 7.2695 7.2695 8.3104 8.3104 8.8266 8.8266 9.0787 9.0787 9.4321 9.4321 10.0779 10.0779 10.8810 10.8810 11.4782 11.4782 11.7392 11.7392 12.2562 12.2562 12.4354 12.4354 12.9255 12.9255 14.2095 14.2095 15.0132 15.0132 k = 0.2167 0.2167-0.0000 ( 4259 PWs) bands (ev): -42.2094 -42.2094 -42.2082 -42.2082 -19.8742 -19.8742 -19.8627 -19.8627 -17.8152 -17.8152 -17.8120 -17.8120 -17.7851 -17.7851 -17.7626 -17.7626 0.5559 0.5559 2.6820 2.6820 3.1398 3.1398 5.1329 5.1329 7.3233 7.3233 8.3314 8.3314 8.8656 8.8656 9.1248 9.1248 9.4249 9.4249 10.0946 10.0946 10.9318 10.9318 11.5050 11.5050 11.8638 11.8638 12.2876 12.2876 12.3582 12.3582 12.9324 12.9324 14.1987 14.1987 15.0265 15.0265 k = 0.2083 0.2083-0.0000 ( 4263 PWs) bands (ev): -42.2097 -42.2097 -42.2085 -42.2085 -19.8733 -19.8733 -19.8614 -19.8614 -17.8127 -17.8127 -17.8096 -17.8096 -17.7850 -17.7850 -17.7619 -17.7619 0.4802 0.4802 2.6366 2.6366 3.0962 3.0962 5.2118 5.2118 7.3774 7.3774 8.3591 8.3591 8.8939 8.8939 9.1677 9.1677 9.4184 9.4184 10.1256 10.1256 10.9829 10.9829 11.5184 11.5184 11.9818 11.9818 12.2746 12.2746 12.3101 12.3101 12.9667 12.9667 14.1955 14.1955 15.0369 15.0369 k = 0.2000 0.2000-0.0000 ( 4267 PWs) bands (ev): -42.2100 -42.2100 -42.2088 -42.2088 -19.8723 -19.8723 -19.8600 -19.8600 -17.8102 -17.8102 -17.8073 -17.8073 -17.7848 -17.7848 -17.7612 -17.7612 0.4069 0.4069 2.5926 2.5926 3.0520 3.0520 5.2926 5.2926 7.4316 7.4316 8.3933 8.3933 8.9107 8.9107 9.2072 9.2072 9.4123 9.4123 10.1716 10.1716 11.0342 11.0342 11.5179 11.5179 12.0888 12.0888 12.2013 12.2013 12.3155 12.3155 13.0231 13.0231 14.2002 14.2002 15.0444 15.0444 k = 0.1917 0.1917-0.0000 ( 4263 PWs) bands (ev): -42.2102 -42.2102 -42.2090 -42.2090 -19.8714 -19.8714 -19.8587 -19.8587 -17.8077 -17.8077 -17.8050 -17.8050 -17.7846 -17.7846 -17.7605 -17.7605 0.3362 0.3362 2.5500 2.5500 3.0074 3.0074 5.3752 5.3752 7.4853 7.4853 8.4338 8.4338 8.9164 8.9164 9.2431 9.2431 9.4070 9.4070 10.2318 10.2318 11.0856 11.0856 11.5036 11.5036 12.1161 12.1161 12.1934 12.1934 12.3235 12.3235 13.0949 13.0949 14.2128 14.2128 15.0488 15.0488 k = 0.1833 0.1833-0.0000 ( 4269 PWs) bands (ev): -42.2106 -42.2106 -42.2093 -42.2093 -19.8705 -19.8705 -19.8574 -19.8574 -17.8053 -17.8053 -17.8030 -17.8030 -17.7842 -17.7842 -17.7598 -17.7598 0.2680 0.2680 2.5089 2.5089 2.9628 2.9628 5.4597 5.4597 7.5385 7.5385 8.4798 8.4798 8.9122 8.9122 9.2755 9.2755 9.4023 9.4023 10.3045 10.3045 11.1368 11.1368 11.4765 11.4765 12.0440 12.0440 12.2654 12.2654 12.3440 12.3440 13.1762 13.1762 14.2328 14.2328 15.0493 15.0493 k = 0.1750 0.1750-0.0000 ( 4269 PWs) bands (ev): -42.2108 -42.2108 -42.2096 -42.2096 -19.8697 -19.8697 -19.8562 -19.8562 -17.8030 -17.8030 -17.8010 -17.8010 -17.7837 -17.7837 -17.7591 -17.7591 0.2025 0.2025 2.4693 2.4693 2.9183 2.9183 5.5459 5.5459 7.5911 7.5911 8.5305 8.5305 8.9000 8.9000 9.3039 9.3039 9.3984 9.3984 10.3876 10.3876 11.1876 11.1876 11.4390 11.4390 11.9716 11.9716 12.3058 12.3058 12.3919 12.3919 13.2625 13.2625 14.2593 14.2593 15.0437 15.0437 k = 0.1667 0.1667-0.0000 ( 4269 PWs) bands (ev): -42.2111 -42.2111 -42.2098 -42.2098 -19.8688 -19.8688 -19.8549 -19.8549 -17.8007 -17.8007 -17.7993 -17.7993 -17.7831 -17.7831 -17.7584 -17.7584 0.1396 0.1396 2.4313 2.4313 2.8743 2.8743 5.6337 5.6337 7.6430 7.6430 8.5843 8.5843 8.8823 8.8823 9.3276 9.3276 9.3953 9.3953 10.4786 10.4786 11.2376 11.2376 11.3940 11.3940 11.9024 11.9024 12.3284 12.3284 12.4509 12.4509 13.3507 13.3507 14.2906 14.2906 15.0237 15.0237 k = 0.1583 0.1583-0.0000 ( 4273 PWs) bands (ev): -42.2113 -42.2113 -42.2101 -42.2101 -19.8680 -19.8680 -19.8537 -19.8537 -17.7986 -17.7986 -17.7977 -17.7977 -17.7822 -17.7822 -17.7578 -17.7578 0.0795 0.0795 2.3949 2.3949 2.8310 2.8310 5.7230 5.7230 7.6944 7.6944 8.6383 8.6383 8.8628 8.8628 9.3457 9.3457 9.3931 9.3931 10.5753 10.5753 11.2845 11.2845 11.3470 11.3470 11.8376 11.8376 12.3487 12.3487 12.5053 12.5053 13.4380 13.4380 14.3247 14.3247 14.9804 14.9804 k = 0.1500 0.1500-0.0000 ( 4273 PWs) bands (ev): -42.2116 -42.2116 -42.2103 -42.2103 -19.8672 -19.8672 -19.8526 -19.8526 -17.7969 -17.7969 -17.7959 -17.7959 -17.7812 -17.7812 -17.7572 -17.7572 0.0222 0.0222 2.3602 2.3602 2.7886 2.7886 5.8138 5.8138 7.7454 7.7454 8.6861 8.6861 8.8483 8.8483 9.3570 9.3570 9.3918 9.3918 10.6756 10.6756 11.2839 11.2839 11.3449 11.3449 11.7785 11.7785 12.3692 12.3692 12.5522 12.5522 13.5216 13.5216 14.3590 14.3590 14.9259 14.9259 k = 0.1417 0.1417-0.0000 ( 4273 PWs) bands (ev): -42.2118 -42.2118 -42.2105 -42.2105 -19.8664 -19.8664 -19.8515 -19.8515 -17.7958 -17.7958 -17.7939 -17.7939 -17.7801 -17.7801 -17.7566 -17.7566 -0.0323 -0.0323 2.3273 2.3273 2.7473 2.7473 5.9058 5.9058 7.7964 7.7964 8.7129 8.7129 8.8534 8.8534 9.3609 9.3609 9.3911 9.3911 10.7775 10.7775 11.2362 11.2362 11.3901 11.3901 11.7262 11.7262 12.3899 12.3899 12.5919 12.5919 13.5985 13.5985 14.3903 14.3903 14.8739 14.8739 k = 0.1333 0.1333-0.0000 ( 4279 PWs) bands (ev): -42.2120 -42.2120 -42.2108 -42.2108 -19.8656 -19.8656 -19.8504 -19.8504 -17.7950 -17.7950 -17.7919 -17.7919 -17.7788 -17.7788 -17.7560 -17.7560 -0.0839 -0.0839 2.2960 2.2960 2.7074 2.7074 5.9990 5.9990 7.8474 7.8474 8.7089 8.7089 8.8871 8.8871 9.3574 9.3574 9.3902 9.3902 10.8790 10.8790 11.1893 11.1893 11.4372 11.4372 11.6816 11.6816 12.4099 12.4099 12.6257 12.6257 13.6652 13.6652 14.4154 14.4154 14.8323 14.8323 k = 0.1250 0.1250-0.0000 ( 4279 PWs) bands (ev): -42.2122 -42.2122 -42.2110 -42.2110 -19.8649 -19.8649 -19.8494 -19.8494 -17.7943 -17.7943 -17.7900 -17.7900 -17.7774 -17.7774 -17.7554 -17.7554 -0.1326 -0.1326 2.2666 2.2666 2.6690 2.6690 6.0931 6.0931 7.8988 7.8988 8.6874 8.6874 8.9352 8.9352 9.3460 9.3460 9.3889 9.3889 10.9775 10.9775 11.1490 11.1490 11.4837 11.4837 11.6457 11.6457 12.4288 12.4288 12.6550 12.6550 13.7174 13.7174 14.4316 14.4316 14.8076 14.8076 k = 0.1167 0.1167-0.0000 ( 4279 PWs) bands (ev): -42.2124 -42.2124 -42.2112 -42.2112 -19.8642 -19.8642 -19.8484 -19.8484 -17.7938 -17.7938 -17.7881 -17.7881 -17.7760 -17.7760 -17.7549 -17.7549 -0.1783 -0.1783 2.2390 2.2390 2.6323 2.6323 6.1880 6.1880 7.9507 7.9507 8.6598 8.6598 8.9849 8.9849 9.3257 9.3257 9.3878 9.3878 11.0620 11.0620 11.1270 11.1270 11.5292 11.5292 11.6188 11.6188 12.4458 12.4458 12.6812 12.6812 13.7506 13.7506 14.4387 14.4387 14.7762 14.7762 k = 0.1083 0.1083-0.0000 ( 4285 PWs) bands (ev): -42.2127 -42.2127 -42.2114 -42.2114 -19.8636 -19.8636 -19.8475 -19.8475 -17.7934 -17.7934 -17.7864 -17.7864 -17.7746 -17.7746 -17.7544 -17.7544 -0.2210 -0.2210 2.2132 2.2132 2.5975 2.5975 6.2833 6.2833 8.0033 8.0033 8.6305 8.6305 9.0303 9.0303 9.2965 9.2965 9.3872 9.3872 11.0742 11.0742 11.1821 11.1821 11.5727 11.5727 11.6023 11.6023 12.4602 12.4602 12.7054 12.7054 13.7610 13.7610 14.4408 14.4408 14.6863 14.6863 k = 0.1000 0.1000-0.0000 ( 4271 PWs) bands (ev): -42.2128 -42.2128 -42.2114 -42.2114 -19.8630 -19.8630 -19.8466 -19.8466 -17.7931 -17.7931 -17.7847 -17.7847 -17.7731 -17.7731 -17.7539 -17.7539 -0.2607 -0.2607 2.1892 2.1892 2.5647 2.5647 6.3787 6.3787 8.0566 8.0566 8.6013 8.6013 9.0677 9.0677 9.2590 9.2590 9.3870 9.3870 11.0640 11.0640 11.2647 11.2647 11.5895 11.5895 11.6205 11.6205 12.4713 12.4713 12.7290 12.7290 13.7477 13.7477 14.4432 14.4432 14.5988 14.5988 k = 0.0917 0.0917-0.0000 ( 4267 PWs) bands (ev): -42.2130 -42.2130 -42.2115 -42.2115 -19.8624 -19.8624 -19.8458 -19.8458 -17.7929 -17.7929 -17.7831 -17.7831 -17.7718 -17.7718 -17.7534 -17.7534 -0.2974 -0.2974 2.1672 2.1672 2.5341 2.5341 6.4739 6.4739 8.1108 8.1108 8.5729 8.5729 9.0936 9.0936 9.2156 9.2156 9.3872 9.3872 11.0634 11.0634 11.3428 11.3428 11.5903 11.5903 11.6620 11.6620 12.4785 12.4785 12.7529 12.7529 13.7132 13.7132 14.4485 14.4485 14.5144 14.5144 k = 0.0833 0.0833-0.0000 ( 4267 PWs) bands (ev): -42.2132 -42.2132 -42.2116 -42.2116 -19.8619 -19.8619 -19.8450 -19.8450 -17.7927 -17.7927 -17.7817 -17.7817 -17.7705 -17.7705 -17.7530 -17.7530 -0.3310 -0.3310 2.1470 2.1470 2.5057 2.5057 6.5682 6.5682 8.1657 8.1657 8.5461 8.5461 9.1007 9.1007 9.1734 9.1734 9.3874 9.3874 11.0754 11.0754 11.4133 11.4133 11.5979 11.5979 11.7031 11.7031 12.4807 12.4807 12.7776 12.7776 13.6623 13.6623 14.4316 14.4316 14.4586 14.4586 k = 0.0750 0.0750-0.0000 ( 4269 PWs) bands (ev): -42.2133 -42.2133 -42.2118 -42.2118 -19.8614 -19.8614 -19.8444 -19.8444 -17.7925 -17.7925 -17.7804 -17.7804 -17.7693 -17.7693 -17.7527 -17.7527 -0.3614 -0.3614 2.1287 2.1287 2.4797 2.4797 6.6612 6.6612 8.2213 8.2213 8.5211 8.5211 9.0721 9.0721 9.1499 9.1499 9.3878 9.3878 11.1003 11.1003 11.4750 11.4750 11.6123 11.6123 11.7426 11.7426 12.4770 12.4770 12.8035 12.8035 13.6009 13.6009 14.3554 14.3554 14.4679 14.4679 k = 0.0667 0.0667-0.0000 ( 4269 PWs) bands (ev): -42.2134 -42.2134 -42.2119 -42.2119 -19.8610 -19.8610 -19.8437 -19.8437 -17.7924 -17.7924 -17.7792 -17.7792 -17.7681 -17.7681 -17.7523 -17.7523 -0.3887 -0.3887 2.1123 2.1123 2.4562 2.4562 6.7519 6.7519 8.2775 8.2775 8.4983 8.4983 9.0172 9.0172 9.1379 9.1379 9.3881 9.3881 11.1372 11.1372 11.5277 11.5277 11.6326 11.6326 11.7797 11.7797 12.4661 12.4661 12.8304 12.8304 13.5342 13.5342 14.2832 14.2832 14.4782 14.4782 k = 0.0583 0.0583-0.0000 ( 4265 PWs) bands (ev): -42.2135 -42.2135 -42.2120 -42.2120 -19.8606 -19.8606 -19.8432 -19.8432 -17.7923 -17.7923 -17.7782 -17.7782 -17.7671 -17.7671 -17.7520 -17.7520 -0.4129 -0.4129 2.0978 2.0978 2.4352 2.4352 6.8393 6.8393 8.3340 8.3340 8.4778 8.4778 8.9545 8.9545 9.1212 9.1212 9.3885 9.3885 11.1843 11.1843 11.5719 11.5719 11.6581 11.6581 11.8138 11.8138 12.4472 12.4472 12.8580 12.8580 13.4669 13.4669 14.2166 14.2166 14.4879 14.4879 k = 0.0500 0.0500-0.0000 ( 4269 PWs) bands (ev): -42.2136 -42.2136 -42.2121 -42.2121 -19.8602 -19.8602 -19.8427 -19.8427 -17.7922 -17.7922 -17.7772 -17.7772 -17.7663 -17.7663 -17.7518 -17.7518 -0.4338 -0.4338 2.0852 2.0852 2.4169 2.4169 6.9222 6.9222 8.3903 8.3903 8.4598 8.4598 8.8904 8.8904 9.0973 9.0973 9.3888 9.3888 11.2387 11.2387 11.6079 11.6079 11.6882 11.6882 11.8440 11.8440 12.4191 12.4191 12.8853 12.8853 13.4030 13.4030 14.1562 14.1562 14.4967 14.4967 k = 0.0417 0.0417-0.0000 ( 4265 PWs) bands (ev): -42.2136 -42.2136 -42.2122 -42.2122 -19.8600 -19.8600 -19.8423 -19.8423 -17.7922 -17.7922 -17.7765 -17.7765 -17.7655 -17.7655 -17.7515 -17.7515 -0.4516 -0.4516 2.0746 2.0746 2.4013 2.4013 6.9989 6.9989 8.4423 8.4423 8.4478 8.4478 8.8284 8.8284 9.0666 9.0666 9.3891 9.3891 11.2969 11.2969 11.6369 11.6369 11.7225 11.7225 11.8699 11.8699 12.3816 12.3816 12.9113 12.9113 13.3455 13.3455 14.1031 14.1031 14.5041 14.5041 k = 0.0333 0.0333-0.0000 ( 4261 PWs) bands (ev): -42.2136 -42.2136 -42.2123 -42.2123 -19.8597 -19.8597 -19.8420 -19.8420 -17.7921 -17.7921 -17.7758 -17.7758 -17.7649 -17.7649 -17.7513 -17.7513 -0.4662 -0.4662 2.0658 2.0658 2.3885 2.3885 7.0672 7.0672 8.4313 8.4313 8.4993 8.4993 8.7720 8.7720 9.0310 9.0310 9.3894 9.3894 11.3543 11.3543 11.6595 11.6595 11.7611 11.7611 11.8911 11.8911 12.3351 12.3351 12.9346 12.9346 13.2970 13.2970 14.0581 14.0581 14.5101 14.5101 k = 0.0250 0.0250-0.0000 ( 4257 PWs) bands (ev): -42.2136 -42.2136 -42.2123 -42.2123 -19.8595 -19.8595 -19.8417 -19.8417 -17.7921 -17.7921 -17.7753 -17.7753 -17.7644 -17.7644 -17.7512 -17.7512 -0.4775 -0.4775 2.0591 2.0591 2.3785 2.3785 7.1247 7.1247 8.4213 8.4213 8.5477 8.5477 8.7254 8.7254 8.9929 8.9929 9.3897 9.3897 11.4057 11.4057 11.6765 11.6765 11.8039 11.8039 11.9075 11.9075 12.2818 12.2818 12.9543 12.9543 13.2587 13.2587 14.0221 14.0221 14.5147 14.5147 k = 0.0167 0.0167-0.0000 ( 4255 PWs) bands (ev): -42.2136 -42.2136 -42.2123 -42.2123 -19.8594 -19.8594 -19.8415 -19.8415 -17.7921 -17.7921 -17.7749 -17.7749 -17.7640 -17.7640 -17.7511 -17.7511 -0.4856 -0.4856 2.0542 2.0542 2.3713 2.3713 7.1687 7.1687 8.4142 8.4142 8.5855 8.5855 8.6946 8.6946 8.9563 8.9563 9.3899 9.3899 11.4462 11.4462 11.6883 11.6883 11.8490 11.8490 11.9192 11.9192 12.2264 12.2264 12.9692 12.9692 13.2313 13.2313 13.9957 13.9957 14.5179 14.5179 k = 0.0083 0.0083-0.0000 ( 4259 PWs) bands (ev): -42.2137 -42.2137 -42.2124 -42.2124 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7747 -17.7747 -17.7638 -17.7638 -17.7510 -17.7510 -0.4905 -0.4905 2.0513 2.0513 2.3669 2.3669 7.1964 7.1964 8.4098 8.4098 8.6033 8.6033 8.6861 8.6861 8.9275 8.9275 9.3900 9.3900 11.4719 11.4719 11.6953 11.6953 11.8893 11.8893 11.9261 11.9261 12.1790 12.1790 12.9785 12.9785 13.2150 13.2150 13.9796 13.9796 14.5198 14.5198 k = 0.0000 0.0000 0.0000 ( 4259 PWs) bands (ev): -42.2137 -42.2137 -42.2124 -42.2124 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7510 -17.7510 -0.4921 -0.4921 2.0503 2.0503 2.3655 2.3655 7.2058 7.2058 8.4084 8.4084 8.6059 8.6059 8.6882 8.6882 8.9160 8.9160 9.3900 9.3900 11.4806 11.4806 11.6976 11.6976 11.9074 11.9074 11.9283 11.9283 12.1585 12.1585 12.9817 12.9817 13.2095 13.2095 13.9742 13.9742 14.5205 14.5205 k = 0.0000 0.0000 0.0000 ( 4259 PWs) bands (ev): -42.2137 -42.2137 -42.2124 -42.2124 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7510 -17.7510 -0.4921 -0.4921 2.0503 2.0503 2.3655 2.3655 7.2058 7.2058 8.4084 8.4084 8.6059 8.6059 8.6882 8.6882 8.9160 8.9160 9.3900 9.3900 11.4806 11.4806 11.6976 11.6976 11.9074 11.9074 11.9283 11.9283 12.1585 12.1585 12.9817 12.9817 13.2095 13.2095 13.9742 13.9742 14.5205 14.5205 k = 0.0000 0.0000 0.0113 ( 4263 PWs) bands (ev): -42.2137 -42.2137 -42.2125 -42.2125 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7510 -17.7510 -0.4913 -0.4913 2.0291 2.0291 2.3882 2.3882 7.2059 7.2059 8.3656 8.3656 8.6060 8.6060 8.6884 8.6884 8.9608 8.9608 9.3898 9.3898 11.4672 11.4672 11.7126 11.7126 11.8563 11.8563 11.9813 11.9813 12.1596 12.1596 12.9817 12.9817 13.2095 13.2095 13.9754 13.9754 14.5175 14.5175 k = 0.0000 0.0000 0.0225 ( 4259 PWs) bands (ev): -42.2136 -42.2136 -42.2125 -42.2125 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7510 -17.7510 -0.4890 -0.4890 1.9776 1.9776 2.4439 2.4439 7.2060 7.2060 8.2653 8.2653 8.6063 8.6063 8.6887 8.6887 9.0672 9.0672 9.3893 9.3893 11.4347 11.4347 11.7500 11.7500 11.7983 11.7983 12.0453 12.0453 12.1630 12.1630 12.9818 12.9818 13.2094 13.2094 13.9788 13.9788 14.5086 14.5086 k = 0.0000 0.0000 0.0338 ( 4263 PWs) bands (ev): -42.2136 -42.2136 -42.2125 -42.2125 -19.8593 -19.8593 -19.8414 -19.8414 -17.7920 -17.7920 -17.7746 -17.7746 -17.7637 -17.7637 -17.7511 -17.7511 -0.4852 -0.4852 1.9127 1.9127 2.5157 2.5157 7.2062 7.2062 8.1417 8.1417 8.6069 8.6069 8.6893 8.6893 9.2009 9.2009 9.3884 9.3884 11.3937 11.3937 11.7422 11.7422 11.7989 11.7989 12.1113 12.1113 12.1684 12.1684 12.9820 12.9820 13.2092 13.2092 13.9846 13.9846 14.4940 14.4940 k = 0.0000 0.0000 0.0451 ( 4255 PWs) bands (ev): -42.2136 -42.2136 -42.2124 -42.2124 -19.8592 -19.8592 -19.8414 -19.8414 -17.7919 -17.7919 -17.7746 -17.7746 -17.7637 -17.7637 -17.7512 -17.7512 -0.4800 -0.4800 1.8429 1.8429 2.5951 2.5951 7.2064 7.2064 8.0100 8.0100 8.6076 8.6076 8.6902 8.6902 9.3468 9.3468 9.3872 9.3872 11.3500 11.3500 11.6886 11.6886 11.8534 11.8534 12.1759 12.1759 12.1788 12.1788 12.9823 12.9823 13.2090 13.2090 13.9924 13.9924 14.4739 14.4739 k = 0.0000 0.0000 0.0563 ( 4254 PWs) bands (ev): -42.2136 -42.2136 -42.2124 -42.2124 -19.8592 -19.8592 -19.8414 -19.8414 -17.7918 -17.7918 -17.7746 -17.7746 -17.7637 -17.7637 -17.7512 -17.7512 -0.4734 -0.4734 1.7721 1.7721 2.6781 2.6781 7.2068 7.2068 7.8764 7.8764 8.6084 8.6084 8.6912 8.6912 9.3857 9.3857 9.4987 9.4987 11.3062 11.3062 11.6374 11.6374 11.9109 11.9109 12.1852 12.1852 12.2475 12.2475 12.9826 12.9826 13.2086 13.2086 14.0023 14.0023 14.4488 14.4488 k = 0.0000 0.0000 0.0676 ( 4266 PWs) bands (ev): -42.2137 -42.2137 -42.2125 -42.2125 -19.8592 -19.8592 -19.8415 -19.8415 -17.7918 -17.7918 -17.7746 -17.7746 -17.7638 -17.7638 -17.7513 -17.7513 -0.4655 -0.4655 1.7020 1.7020 2.7629 2.7629 7.2071 7.2071 7.7435 7.7435 8.6094 8.6094 8.6924 8.6924 9.3839 9.3839 9.6539 9.6539 11.2634 11.2634 11.5889 11.5889 11.9698 11.9698 12.1961 12.1961 12.3171 12.3171 12.9830 12.9830 13.2083 13.2083 14.0139 14.0139 14.4191 14.4191 k = 0.0000 0.0000 0.0789 ( 4270 PWs) bands (ev): -42.2137 -42.2137 -42.2125 -42.2125 -19.8592 -19.8592 -19.8415 -19.8415 -17.7917 -17.7917 -17.7746 -17.7746 -17.7638 -17.7638 -17.7514 -17.7514 -0.4566 -0.4566 1.6336 1.6336 2.8482 2.8482 7.2075 7.2075 7.6131 7.6131 8.6106 8.6106 8.6938 8.6938 9.3820 9.3820 9.8108 9.8108 11.2223 11.2223 11.5432 11.5432 12.0288 12.0288 12.2086 12.2086 12.3875 12.3875 12.9834 12.9834 13.2078 13.2078 14.0271 14.0271 14.3856 14.3856 k = 0.0000 0.0000 0.0902 ( 4278 PWs) bands (ev): -42.2138 -42.2138 -42.2126 -42.2126 -19.8591 -19.8591 -19.8416 -19.8416 -17.7915 -17.7915 -17.7746 -17.7746 -17.7638 -17.7638 -17.7516 -17.7516 -0.4466 -0.4466 1.5677 1.5677 2.9331 2.9331 7.2080 7.2080 7.4862 7.4862 8.6118 8.6118 8.6953 8.6953 9.3798 9.3798 9.9682 9.9682 11.1834 11.1834 11.5005 11.5005 12.0864 12.0864 12.2230 12.2230 12.4581 12.4581 12.9839 12.9839 13.2074 13.2074 14.0415 14.0415 14.3488 14.3488 k = 0.0000 0.0000 0.1014 ( 4266 PWs) bands (ev): -42.2138 -42.2138 -42.2124 -42.2124 -19.8591 -19.8591 -19.8416 -19.8416 -17.7914 -17.7914 -17.7745 -17.7745 -17.7638 -17.7638 -17.7517 -17.7517 -0.4359 -0.4359 1.5048 1.5048 3.0167 3.0167 7.2085 7.2085 7.3638 7.3638 8.6132 8.6132 8.6969 8.6969 9.3776 9.3776 10.1251 10.1251 11.1471 11.1471 11.4607 11.4607 12.1396 12.1396 12.2409 12.2409 12.5286 12.5286 12.9845 12.9845 13.2069 13.2069 14.0569 14.0569 14.3098 14.3098 k = 0.0000 0.0000 0.1127 ( 4282 PWs) bands (ev): -42.2139 -42.2139 -42.2125 -42.2125 -19.8590 -19.8590 -19.8417 -19.8417 -17.7913 -17.7913 -17.7745 -17.7745 -17.7639 -17.7639 -17.7518 -17.7518 -0.4246 -0.4246 1.4453 1.4453 3.0983 3.0983 7.2089 7.2089 7.2468 7.2468 8.6145 8.6145 8.6985 8.6985 9.3753 9.3753 10.2806 10.2806 11.1135 11.1135 11.4240 11.4240 12.1821 12.1821 12.2670 12.2670 12.5985 12.5985 12.9851 12.9851 13.2064 13.2064 14.0729 14.0729 14.2693 14.2693 k = 0.0000 0.0000 0.1240 ( 4274 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8590 -19.8590 -19.8417 -19.8417 -17.7912 -17.7912 -17.7745 -17.7745 -17.7639 -17.7639 -17.7519 -17.7519 -0.4129 -0.4129 1.3898 1.3898 3.1770 3.1770 7.1360 7.1360 7.2094 7.2094 8.6159 8.6159 8.7002 8.7002 9.3730 9.3730 10.4336 10.4336 11.0829 11.0829 11.3905 11.3905 12.2077 12.2077 12.3061 12.3061 12.6672 12.6672 12.9858 12.9858 13.2058 13.2058 14.0891 14.0891 14.2286 14.2286 k = 0.0000 0.0000 0.1352 ( 4274 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8589 -19.8589 -19.8417 -19.8417 -17.7910 -17.7910 -17.7745 -17.7745 -17.7639 -17.7639 -17.7521 -17.7521 -0.4013 -0.4013 1.3385 1.3385 3.2518 3.2518 7.0324 7.0324 7.2099 7.2099 8.6172 8.6172 8.7018 8.7018 9.3708 9.3708 10.5828 10.5828 11.0559 11.0559 11.3603 11.3603 12.2193 12.2193 12.3535 12.3535 12.7339 12.7339 12.9867 12.9867 13.2053 13.2053 14.1051 14.1051 14.1889 14.1889 k = 0.0000 0.0000 0.1465 ( 4278 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8589 -19.8589 -19.8418 -19.8418 -17.7909 -17.7909 -17.7745 -17.7745 -17.7639 -17.7639 -17.7522 -17.7522 -0.3898 -0.3898 1.2919 1.2919 3.3219 3.3219 6.9370 6.9370 7.2104 7.2104 8.6185 8.6185 8.7033 8.7033 9.3687 9.3687 10.7259 10.7259 11.0333 11.0333 11.3334 11.3334 12.2217 12.2217 12.4024 12.4024 12.7975 12.7975 12.9878 12.9878 13.2048 13.2048 14.1205 14.1205 14.1514 14.1514 k = 0.0000 0.0000 0.1578 ( 4278 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8588 -19.8588 -19.8418 -19.8418 -17.7908 -17.7908 -17.7744 -17.7744 -17.7639 -17.7639 -17.7523 -17.7523 -0.3790 -0.3790 1.2504 1.2504 3.3861 3.3861 6.8508 6.8508 7.2108 7.2108 8.6196 8.6196 8.7047 8.7047 9.3668 9.3668 10.8573 10.8573 11.0193 11.0193 11.3100 11.3100 12.2168 12.2168 12.4492 12.4492 12.8568 12.8568 12.9896 12.9896 13.2042 13.2042 14.1175 14.1175 14.1349 14.1349 k = 0.0000 0.0000 0.1690 ( 4286 PWs) bands (ev): -42.2140 -42.2140 -42.2125 -42.2125 -19.8588 -19.8588 -19.8419 -19.8419 -17.7907 -17.7907 -17.7744 -17.7744 -17.7639 -17.7639 -17.7524 -17.7524 -0.3691 -0.3691 1.2145 1.2145 3.4432 3.4432 6.7751 6.7751 7.2111 7.2111 8.6207 8.6207 8.7060 8.7060 9.3650 9.3650 10.9453 10.9453 11.0436 11.0436 11.2901 11.2901 12.2049 12.2049 12.4920 12.4920 12.9094 12.9094 12.9930 12.9930 13.2037 13.2037 14.0883 14.0883 14.1478 14.1478 k = 0.0000 0.0000 0.1803 ( 4286 PWs) bands (ev): -42.2140 -42.2140 -42.2125 -42.2125 -19.8588 -19.8588 -19.8419 -19.8419 -17.7906 -17.7906 -17.7744 -17.7744 -17.7640 -17.7640 -17.7525 -17.7525 -0.3604 -0.3604 1.1844 1.1844 3.4921 3.4921 6.7110 6.7110 7.2115 7.2115 8.6216 8.6216 8.7071 8.7071 9.3635 9.3635 10.9552 10.9552 11.1378 11.1378 11.2737 11.2737 12.1868 12.1868 12.5292 12.5292 12.9499 12.9499 13.0019 13.0019 13.2032 13.2032 14.0648 14.0648 14.1589 14.1589 k = 0.0000 0.0000 0.1916 ( 4286 PWs) bands (ev): -42.2140 -42.2140 -42.2125 -42.2125 -19.8588 -19.8588 -19.8419 -19.8419 -17.7906 -17.7906 -17.7744 -17.7744 -17.7640 -17.7640 -17.7525 -17.7525 -0.3532 -0.3532 1.1606 1.1606 3.5316 3.5316 6.6597 6.6597 7.2117 7.2117 8.6223 8.6223 8.7080 8.7080 9.3624 9.3624 10.9484 10.9484 11.2365 11.2365 11.2609 11.2609 12.1644 12.1644 12.5598 12.5598 12.9702 12.9702 13.0228 13.0228 13.2027 13.2027 14.0475 14.0475 14.1678 14.1678 k = 0.0000 0.0000 0.2028 ( 4294 PWs) bands (ev): -42.2140 -42.2140 -42.2126 -42.2126 -19.8588 -19.8588 -19.8419 -19.8419 -17.7905 -17.7905 -17.7744 -17.7744 -17.7640 -17.7640 -17.7526 -17.7526 -0.3479 -0.3479 1.1434 1.1434 3.5607 3.5607 6.6221 6.6221 7.2119 7.2119 8.6228 8.6228 8.7086 8.7086 9.3615 9.3615 10.9416 10.9416 11.2517 11.2517 11.3174 11.3174 12.1413 12.1413 12.5824 12.5824 12.9766 12.9766 13.0476 13.0476 13.2022 13.2022 14.0362 14.0362 14.1743 14.1743 k = 0.0000 0.0000 0.2141 ( 4290 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8587 -19.8587 -19.8420 -19.8420 -17.7905 -17.7905 -17.7744 -17.7744 -17.7640 -17.7640 -17.7526 -17.7526 -0.3446 -0.3446 1.1330 1.1330 3.5785 3.5785 6.5992 6.5992 7.2120 7.2120 8.6232 8.6232 8.7090 8.7090 9.3610 9.3610 10.9372 10.9372 11.2462 11.2462 11.3712 11.3712 12.1232 12.1232 12.5964 12.5964 12.9788 12.9788 13.0650 13.0650 13.2018 13.2018 14.0300 14.0300 14.1782 14.1782 k = 0.0000 0.0000 0.2254 ( 4290 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8587 -19.8587 -19.8420 -19.8420 -17.7905 -17.7905 -17.7744 -17.7744 -17.7640 -17.7640 -17.7526 -17.7526 -0.3435 -0.3435 1.1295 1.1295 3.5845 3.5845 6.5915 6.5915 7.2121 7.2121 8.6233 8.6233 8.7091 8.7091 9.3608 9.3608 10.9357 10.9357 11.2444 11.2444 11.3902 11.3902 12.1163 12.1163 12.6011 12.6011 12.9794 12.9794 13.0711 13.0711 13.2017 13.2017 14.0281 14.0281 14.1795 14.1795 k = 0.0000 0.0000 0.2254 ( 4290 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8587 -19.8587 -19.8420 -19.8420 -17.7905 -17.7905 -17.7744 -17.7744 -17.7640 -17.7640 -17.7526 -17.7526 -0.3435 -0.3435 1.1295 1.1295 3.5845 3.5845 6.5915 6.5915 7.2121 7.2121 8.6233 8.6233 8.7091 8.7091 9.3608 9.3608 10.9357 10.9357 11.2444 11.2444 11.3902 11.3902 12.1163 12.1163 12.6011 12.6011 12.9794 12.9794 13.0711 13.0711 13.2017 13.2017 14.0281 14.0281 14.1795 14.1795 k = 0.0000 0.0116 0.2254 ( 4294 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8588 -19.8588 -19.8420 -19.8420 -17.7905 -17.7905 -17.7745 -17.7745 -17.7641 -17.7641 -17.7527 -17.7527 -0.3420 -0.3420 1.1309 1.1309 3.5851 3.5851 6.5926 6.5926 7.2027 7.2027 8.6273 8.6273 8.7131 8.7131 9.3602 9.3602 10.9319 10.9319 11.2364 11.2364 11.3989 11.3989 12.1034 12.1034 12.5991 12.5991 12.9759 12.9759 13.0459 13.0459 13.2384 13.2384 14.0155 14.0155 14.1832 14.1832 k = 0.0000 0.0233 0.2254 ( 4290 PWs) bands (ev): -42.2140 -42.2140 -42.2125 -42.2125 -19.8588 -19.8588 -19.8421 -19.8421 -17.7905 -17.7905 -17.7747 -17.7747 -17.7643 -17.7643 -17.7527 -17.7527 -0.3374 -0.3374 1.1353 1.1353 3.5866 3.5866 6.5956 6.5956 7.1753 7.1753 8.6380 8.6380 8.7260 8.7260 9.3584 9.3584 10.9203 10.9203 11.2170 11.2170 11.4207 11.4207 12.0668 12.0668 12.5894 12.5894 12.9663 12.9663 13.0086 13.0086 13.3117 13.3117 13.9759 13.9759 14.1929 14.1929 k = 0.0000 0.0349 0.2254 ( 4282 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8590 -19.8590 -19.8423 -19.8423 -17.7906 -17.7906 -17.7750 -17.7750 -17.7646 -17.7646 -17.7528 -17.7528 -0.3298 -0.3298 1.1425 1.1425 3.5892 3.5892 6.6003 6.6003 7.1316 7.1316 8.6521 8.6521 8.7495 8.7495 9.3552 9.3552 10.9012 10.9012 11.1927 11.1927 11.4489 11.4489 12.0113 12.0113 12.5649 12.5649 12.9550 12.9550 12.9823 12.9823 13.3967 13.3967 13.9121 13.9121 14.2054 14.2054 k = 0.0000 0.0465 0.2254 ( 4282 PWs) bands (ev): -42.2139 -42.2139 -42.2123 -42.2123 -19.8591 -19.8591 -19.8425 -19.8425 -17.7906 -17.7906 -17.7755 -17.7755 -17.7651 -17.7651 -17.7529 -17.7529 -0.3191 -0.3191 1.1526 1.1526 3.5928 3.5928 6.6062 6.6062 7.0743 7.0743 8.6670 8.6670 8.7843 8.7843 9.3504 9.3504 10.8748 10.8748 11.1673 11.1673 11.4795 11.4795 11.9421 11.9421 12.5225 12.5225 12.9439 12.9439 12.9708 12.9708 13.4871 13.4871 13.8338 13.8338 14.2200 14.2200 k = 0.0000 0.0581 0.2254 ( 4278 PWs) bands (ev): -42.2138 -42.2138 -42.2122 -42.2122 -19.8594 -19.8594 -19.8429 -19.8429 -17.7908 -17.7908 -17.7761 -17.7761 -17.7657 -17.7657 -17.7530 -17.7530 -0.3053 -0.3053 1.1655 1.1655 3.5973 3.5973 6.6120 6.6120 7.0069 7.0069 8.6818 8.6818 8.8291 8.8291 9.3435 9.3435 10.8420 10.8420 11.1423 11.1423 11.5103 11.5103 11.8636 11.8636 12.4655 12.4655 12.9247 12.9247 12.9784 12.9784 13.5799 13.5799 13.7505 13.7505 14.2383 14.2383 k = 0.0000 0.0698 0.2254 ( 4278 PWs) bands (ev): -42.2136 -42.2136 -42.2122 -42.2122 -19.8597 -19.8597 -19.8432 -19.8432 -17.7910 -17.7910 -17.7767 -17.7767 -17.7665 -17.7665 -17.7531 -17.7531 -0.2885 -0.2885 1.1813 1.1813 3.6028 3.6028 6.6148 6.6148 6.9343 6.9343 8.6971 8.6971 8.8813 8.8813 9.3342 9.3342 10.8040 10.8040 11.1177 11.1177 11.5387 11.5387 11.7803 11.7803 12.3992 12.3992 12.9010 12.9010 12.9958 12.9958 13.6428 13.6428 13.6984 13.6984 14.2600 14.2600 k = 0.0000 0.0814 0.2254 ( 4270 PWs) bands (ev): -42.2135 -42.2135 -42.2121 -42.2121 -19.8600 -19.8600 -19.8437 -19.8437 -17.7913 -17.7913 -17.7774 -17.7774 -17.7675 -17.7675 -17.7531 -17.7531 -0.2687 -0.2687 1.2000 1.2000 3.6092 3.6092 6.6077 6.6077 6.8653 6.8653 8.7135 8.7135 8.9386 8.9386 9.3218 9.3218 10.7621 10.7621 11.0934 11.0934 11.5579 11.5579 11.7007 11.7007 12.3278 12.3278 12.8753 12.8753 13.0159 13.0159 13.5718 13.5718 13.7840 13.7840 14.2839 14.2839 k = 0.0000 0.0930 0.2254 ( 4274 PWs) bands (ev): -42.2133 -42.2133 -42.2121 -42.2121 -19.8604 -19.8604 -19.8442 -19.8442 -17.7918 -17.7918 -17.7782 -17.7782 -17.7686 -17.7686 -17.7532 -17.7532 -0.2459 -0.2459 1.2214 1.2214 3.6165 3.6165 6.5769 6.5769 6.8152 6.8152 8.7314 8.7314 8.9992 8.9992 9.3059 9.3059 10.7179 10.7179 11.0687 11.0687 11.5364 11.5364 11.6576 11.6576 12.2542 12.2542 12.8488 12.8488 13.0348 13.0348 13.4924 13.4924 13.8838 13.8838 14.3087 14.3087 k = 0.0000 0.1047 0.2254 ( 4258 PWs) bands (ev): -42.2131 -42.2131 -42.2119 -42.2119 -19.8608 -19.8608 -19.8448 -19.8448 -17.7924 -17.7924 -17.7789 -17.7789 -17.7697 -17.7697 -17.7531 -17.7531 -0.2201 -0.2201 1.2456 1.2456 3.6245 3.6245 6.5119 6.5119 6.7959 6.7959 8.7510 8.7510 9.0615 9.0615 9.2857 9.2857 10.6729 10.6729 11.0433 11.0433 11.4596 11.4596 11.6669 11.6669 12.1800 12.1800 12.8220 12.8220 13.0495 13.0495 13.4184 13.4184 13.9858 13.9858 14.3337 14.3337 k = 0.0000 0.1163 0.2254 ( 4250 PWs) bands (ev): -42.2129 -42.2129 -42.2117 -42.2117 -19.8612 -19.8612 -19.8454 -19.8454 -17.7933 -17.7933 -17.7797 -17.7797 -17.7710 -17.7710 -17.7531 -17.7531 -0.1913 -0.1913 1.2726 1.2726 3.6333 3.6333 6.4205 6.4205 6.8004 6.8004 8.7723 8.7723 9.1234 9.1234 9.2615 9.2615 10.6285 10.6285 11.0167 11.0167 11.3660 11.3660 11.6907 11.6907 12.1064 12.1064 12.7955 12.7955 13.0571 13.0571 13.3532 13.3532 14.0889 14.0889 14.3583 14.3583 k = 0.0000 0.1279 0.2254 ( 4254 PWs) bands (ev): -42.2128 -42.2128 -42.2116 -42.2116 -19.8617 -19.8617 -19.8461 -19.8461 -17.7944 -17.7944 -17.7806 -17.7806 -17.7721 -17.7721 -17.7531 -17.7531 -0.1596 -0.1596 1.3023 1.3023 3.6427 3.6427 6.3142 6.3142 6.8180 6.8180 8.7954 8.7954 9.1778 9.1778 9.2387 9.2387 10.5860 10.5860 10.9884 10.9884 11.2691 11.2691 11.7169 11.7169 12.0341 12.0341 12.7696 12.7696 13.0543 13.0543 13.3005 13.3005 14.1925 14.1925 14.3822 14.3822 k = 0.0000 0.1395 0.2254 ( 4264 PWs) bands (ev): -42.2127 -42.2127 -42.2115 -42.2115 -19.8623 -19.8623 -19.8469 -19.8469 -17.7957 -17.7957 -17.7817 -17.7817 -17.7732 -17.7732 -17.7530 -17.7530 -0.1249 -0.1249 1.3346 1.3346 3.6526 3.6526 6.1995 6.1995 6.8431 6.8431 8.8204 8.8204 9.1768 9.1768 9.2637 9.2637 10.5465 10.5465 10.9582 10.9582 11.1726 11.1726 11.7422 11.7422 11.9641 11.9641 12.7448 12.7448 13.0383 13.0383 13.2633 13.2633 14.2956 14.2956 14.4053 14.4053 k = 0.0000 0.1512 0.2254 ( 4268 PWs) bands (ev): -42.2126 -42.2126 -42.2114 -42.2114 -19.8628 -19.8628 -19.8477 -19.8477 -17.7973 -17.7973 -17.7830 -17.7830 -17.7739 -17.7739 -17.7529 -17.7529 -0.0873 -0.0873 1.3696 1.3696 3.6630 3.6630 6.0792 6.0792 6.8732 6.8732 8.8470 8.8470 9.1359 9.1359 9.3195 9.3195 10.5108 10.5108 10.9254 10.9254 11.0790 11.0790 11.7642 11.7642 11.8983 11.8983 12.7211 12.7211 13.0103 13.0103 13.2408 13.2408 14.3958 14.3958 14.4287 14.4287 k = 0.0000 0.1628 0.2254 ( 4280 PWs) bands (ev): -42.2125 -42.2125 -42.2113 -42.2113 -19.8634 -19.8634 -19.8486 -19.8486 -17.7991 -17.7991 -17.7846 -17.7846 -17.7744 -17.7744 -17.7528 -17.7528 -0.0468 -0.0468 1.4071 1.4071 3.6737 3.6737 5.9550 5.9550 6.9072 6.9072 8.8753 8.8753 9.0847 9.0847 9.3753 9.3753 10.4793 10.4793 10.8885 10.8885 10.9918 10.9918 11.7738 11.7738 11.8451 11.8451 12.6985 12.6985 12.9758 12.9758 13.2282 13.2282 14.4448 14.4448 14.4968 14.4968 k = 0.0000 0.1744 0.2254 ( 4272 PWs) bands (ev): -42.2123 -42.2123 -42.2111 -42.2111 -19.8641 -19.8641 -19.8495 -19.8495 -17.8010 -17.8010 -17.7865 -17.7865 -17.7745 -17.7745 -17.7526 -17.7526 -0.0035 -0.0035 1.4473 1.4473 3.6846 3.6846 5.8279 5.8279 6.9443 6.9443 8.9049 8.9049 9.0262 9.0262 9.4270 9.4270 10.4523 10.4523 10.8440 10.8440 10.9165 10.9165 11.7424 11.7424 11.8332 11.8332 12.6772 12.6772 12.9406 12.9406 13.2202 13.2202 14.4638 14.4638 14.5784 14.5784 k = 0.0000 0.1860 0.2254 ( 4268 PWs) bands (ev): -42.2121 -42.2121 -42.2109 -42.2109 -19.8647 -19.8647 -19.8504 -19.8504 -17.8030 -17.8030 -17.7887 -17.7887 -17.7744 -17.7744 -17.7525 -17.7525 0.0427 0.0427 1.4898 1.4898 3.6955 3.6955 5.6986 5.6986 6.9841 6.9841 8.9310 8.9310 8.9660 8.9660 9.4720 9.4720 10.4296 10.4296 10.7886 10.7886 10.8590 10.8590 11.6872 11.6872 11.8443 11.8443 12.6569 12.6569 12.9084 12.9084 13.2136 13.2136 14.4788 14.4788 14.6234 14.6234 k = 0.0000 0.1977 0.2254 ( 4276 PWs) bands (ev): -42.2120 -42.2120 -42.2107 -42.2107 -19.8654 -19.8654 -19.8514 -19.8514 -17.8052 -17.8052 -17.7911 -17.7911 -17.7741 -17.7741 -17.7523 -17.7523 0.0917 0.0917 1.5348 1.5348 3.7063 3.7063 5.5675 5.5675 7.0265 7.0265 8.8845 8.8845 8.9741 8.9741 9.5077 9.5077 10.4107 10.4107 10.7305 10.7305 10.8139 10.8139 11.6302 11.6302 11.8566 11.8566 12.6375 12.6375 12.8816 12.8816 13.2068 13.2068 14.4874 14.4874 14.6254 14.6254 k = 0.0000 0.2093 0.2254 ( 4284 PWs) bands (ev): -42.2118 -42.2118 -42.2106 -42.2106 -19.8660 -19.8660 -19.8525 -19.8525 -17.8075 -17.8075 -17.7936 -17.7936 -17.7737 -17.7737 -17.7522 -17.7522 0.1435 0.1435 1.5822 1.5822 3.7169 3.7169 5.4352 5.4352 7.0711 7.0711 8.8091 8.8091 9.0076 9.0076 9.5315 9.5315 10.3949 10.3949 10.6810 10.6810 10.7732 10.7732 11.5749 11.5749 11.8657 11.8657 12.6189 12.6189 12.8615 12.8615 13.1991 13.1991 14.4831 14.4831 14.6081 14.6081 k = 0.0000 0.2209 0.2254 ( 4284 PWs) bands (ev): -42.2116 -42.2116 -42.2104 -42.2104 -19.8667 -19.8667 -19.8535 -19.8535 -17.8099 -17.8099 -17.7963 -17.7963 -17.7731 -17.7731 -17.7520 -17.7520 0.1980 0.1980 1.6319 1.6319 3.7269 3.7269 5.3019 5.3019 7.1177 7.1177 8.7289 8.7289 9.0433 9.0433 9.5406 9.5406 10.3815 10.3815 10.6462 10.6462 10.7338 10.7338 11.5224 11.5224 11.8707 11.8707 12.6007 12.6007 12.8488 12.8488 13.1904 13.1904 14.4574 14.4574 14.5968 14.5968 k = 0.0000 0.2326 0.2254 ( 4292 PWs) bands (ev): -42.2115 -42.2115 -42.2103 -42.2103 -19.8674 -19.8674 -19.8546 -19.8546 -17.8123 -17.8123 -17.7990 -17.7990 -17.7725 -17.7725 -17.7518 -17.7518 0.2553 0.2553 1.6838 1.6838 3.7363 3.7363 5.1680 5.1680 7.1661 7.1661 8.6456 8.6456 9.0803 9.0803 9.5336 9.5336 10.3695 10.3695 10.6290 10.6290 10.6949 10.6949 11.4729 11.4729 11.8708 11.8708 12.5825 12.5825 12.8439 12.8439 13.1810 13.1810 14.4130 14.4130 14.5971 14.5971 k = 0.0000 0.2442 0.2254 ( 4288 PWs) bands (ev): -42.2112 -42.2112 -42.2102 -42.2102 -19.8681 -19.8681 -19.8557 -19.8557 -17.8147 -17.8147 -17.8017 -17.8017 -17.7718 -17.7718 -17.7517 -17.7517 0.3152 0.3152 1.7378 1.7378 3.7447 3.7447 5.0337 5.0337 7.2159 7.2159 8.5605 8.5605 9.1182 9.1182 9.5104 9.5104 10.3581 10.3581 10.6298 10.6298 10.6566 10.6566 11.4268 11.4268 11.8660 11.8660 12.5637 12.5637 12.8467 12.8467 13.1714 13.1714 14.3600 14.3600 14.6035 14.6035 k = 0.0000 0.2558 0.2254 ( 4286 PWs) bands (ev): -42.2110 -42.2110 -42.2099 -42.2099 -19.8688 -19.8688 -19.8568 -19.8568 -17.8171 -17.8171 -17.8046 -17.8046 -17.7710 -17.7710 -17.7515 -17.7515 0.3778 0.3778 1.7938 1.7938 3.7520 3.7520 4.8991 4.8991 7.2669 7.2669 8.4745 8.4745 9.1569 9.1569 9.4730 9.4730 10.3463 10.3463 10.6166 10.6166 10.6495 10.6495 11.3844 11.3844 11.8566 11.8566 12.5438 12.5438 12.8567 12.8567 13.1623 13.1623 14.3048 14.3048 14.6121 14.6121 k = 0.0000 0.2674 0.2254 ( 4286 PWs) bands (ev): -42.2108 -42.2108 -42.2098 -42.2098 -19.8695 -19.8695 -19.8579 -19.8579 -17.8195 -17.8195 -17.8074 -17.8074 -17.7702 -17.7702 -17.7514 -17.7514 0.4430 0.4430 1.8518 1.8518 3.7579 3.7579 4.7646 4.7646 7.3187 7.3187 8.3886 8.3886 9.1957 9.1957 9.4247 9.4247 10.3334 10.3334 10.5788 10.5788 10.6816 10.6816 11.3459 11.3459 11.8428 11.8428 12.5224 12.5224 12.8730 12.8730 13.1546 13.1546 14.2509 14.2509 14.6214 14.6214 k = 0.0000 0.2791 0.2254 ( 4282 PWs) bands (ev): -42.2105 -42.2105 -42.2096 -42.2096 -19.8701 -19.8701 -19.8590 -19.8590 -17.8219 -17.8219 -17.8102 -17.8102 -17.7694 -17.7694 -17.7513 -17.7513 0.5108 0.5108 1.9117 1.9117 3.7620 3.7620 4.6303 4.6303 7.3710 7.3710 8.3039 8.3039 9.2332 9.2332 9.3702 9.3702 10.3185 10.3185 10.5410 10.5410 10.7250 10.7250 11.3114 11.3114 11.8255 11.8255 12.4987 12.4987 12.8943 12.8943 13.1496 13.1496 14.2004 14.2004 14.6310 14.6310 k = 0.0000 0.2907 0.2254 ( 4278 PWs) bands (ev): -42.2102 -42.2102 -42.2095 -42.2095 -19.8708 -19.8708 -19.8601 -19.8601 -17.8242 -17.8242 -17.8130 -17.8130 -17.7685 -17.7685 -17.7511 -17.7511 0.5812 0.5812 1.9733 1.9733 3.7642 3.7642 4.4964 4.4964 7.4230 7.4230 8.2211 8.2211 9.2591 9.2591 9.3229 9.3229 10.3010 10.3010 10.5036 10.5036 10.7765 10.7765 11.2812 11.2812 11.8052 11.8052 12.4726 12.4726 12.9186 12.9186 13.1491 13.1491 14.1546 14.1546 14.6408 14.6408 k = 0.0000 0.3023 0.2254 ( 4280 PWs) bands (ev): -42.2100 -42.2100 -42.2093 -42.2093 -19.8714 -19.8714 -19.8612 -19.8612 -17.8265 -17.8265 -17.8157 -17.8157 -17.7677 -17.7677 -17.7511 -17.7511 0.6540 0.6540 2.0365 2.0365 3.7641 3.7641 4.3631 4.3631 7.4742 7.4742 8.1411 8.1411 9.2271 9.2271 9.3317 9.3317 10.2805 10.2805 10.4665 10.4665 10.8334 10.8334 11.2556 11.2556 11.7827 11.7827 12.4436 12.4436 12.9438 12.9438 13.1552 13.1552 14.1146 14.1146 14.6509 14.6509 k = 0.0000 0.3140 0.2254 ( 4272 PWs) bands (ev): -42.2097 -42.2097 -42.2091 -42.2091 -19.8720 -19.8720 -19.8623 -19.8623 -17.8287 -17.8287 -17.8185 -17.8185 -17.7668 -17.7668 -17.7510 -17.7510 0.7294 0.7294 2.1012 2.1012 3.7614 3.7614 4.2304 4.2304 7.5238 7.5238 8.0647 8.0647 9.1686 9.1686 9.3675 9.3675 10.2566 10.2566 10.4296 10.4296 10.8934 10.8934 11.2348 11.2348 11.7587 11.7587 12.4115 12.4115 12.9677 12.9677 13.1699 13.1699 14.0808 14.0808 14.6614 14.6614 k = 0.0000 0.3256 0.2254 ( 4280 PWs) bands (ev): -42.2096 -42.2096 -42.2090 -42.2090 -19.8726 -19.8726 -19.8634 -19.8634 -17.8308 -17.8308 -17.8211 -17.8211 -17.7659 -17.7659 -17.7510 -17.7510 0.8072 0.8072 2.1672 2.1672 3.7557 3.7557 4.0987 4.0987 7.5705 7.5705 7.9928 7.9928 9.1097 9.1097 9.4063 9.4063 10.2293 10.2293 10.3926 10.3926 10.9545 10.9545 11.2190 11.2190 11.7341 11.7341 12.3761 12.3761 12.9889 12.9889 13.1946 13.1946 14.0538 14.0538 14.6720 14.6720 k = 0.0000 0.3372 0.2254 ( 4280 PWs) bands (ev): -42.2094 -42.2094 -42.2088 -42.2088 -19.8731 -19.8731 -19.8645 -19.8645 -17.8329 -17.8329 -17.8237 -17.8237 -17.7650 -17.7650 -17.7509 -17.7509 0.8874 0.8874 2.2344 2.2344 3.7467 3.7467 3.9682 3.9682 7.6130 7.6130 7.9264 7.9264 9.0550 9.0550 9.4453 9.4453 10.1985 10.1985 10.3553 10.3553 11.0149 11.0149 11.2089 11.2089 11.7093 11.7093 12.3374 12.3374 13.0080 13.0080 13.2286 13.2286 14.0336 14.0336 14.6819 14.6819 k = 0.0000 0.3488 0.2254 ( 4280 PWs) bands (ev): -42.2093 -42.2093 -42.2086 -42.2086 -19.8736 -19.8736 -19.8656 -19.8656 -17.8348 -17.8348 -17.8262 -17.8262 -17.7641 -17.7641 -17.7510 -17.7510 0.9699 0.9699 2.3025 2.3025 3.7332 3.7332 3.8398 3.8398 7.6491 7.6491 7.8669 7.8669 9.0070 9.0070 9.4837 9.4837 10.1642 10.1642 10.3176 10.3176 11.0723 11.0723 11.2054 11.2054 11.6851 11.6851 12.2954 12.2954 13.0269 13.0269 13.2700 13.2700 14.0201 14.0201 14.6901 14.6901 k = 0.0000 0.3605 0.2254 ( 4284 PWs) bands (ev): -42.2091 -42.2091 -42.2085 -42.2085 -19.8741 -19.8741 -19.8666 -19.8666 -17.8366 -17.8366 -17.8285 -17.8285 -17.7632 -17.7632 -17.7510 -17.7510 1.0548 1.0548 2.3713 2.3713 3.6963 3.6963 3.7324 3.7324 7.6751 7.6751 7.8170 7.8170 8.9681 8.9681 9.5211 9.5211 10.1261 10.1261 10.2798 10.2798 11.1234 11.1234 11.2108 11.2108 11.6619 11.6619 12.2502 12.2502 13.0478 13.0478 13.3164 13.3164 14.0130 14.0130 14.6948 14.6948 k = 0.0000 0.3721 0.2254 ( 4290 PWs) bands (ev): -42.2090 -42.2090 -42.2085 -42.2085 -19.8745 -19.8745 -19.8676 -19.8676 -17.8382 -17.8382 -17.8308 -17.8308 -17.7624 -17.7624 -17.7511 -17.7511 1.1420 1.1420 2.4406 2.4406 3.5789 3.5789 3.7032 3.7032 7.6835 7.6835 7.7834 7.7834 8.9400 8.9400 9.5572 9.5572 10.0842 10.0842 10.2421 10.2421 11.1622 11.1622 11.2301 11.2301 11.6401 11.6401 12.2020 12.2020 13.0724 13.0724 13.3658 13.3658 14.0119 14.0119 14.6937 14.6937 k = 0.0000 0.3837 0.2254 ( 4290 PWs) bands (ev): -42.2088 -42.2088 -42.2084 -42.2084 -19.8748 -19.8748 -19.8685 -19.8685 -17.8397 -17.8397 -17.8329 -17.8329 -17.7615 -17.7615 -17.7512 -17.7512 1.2314 1.2314 2.5098 2.5098 3.4547 3.4547 3.6787 3.6787 7.6685 7.6685 7.7709 7.7709 8.9242 8.9242 9.5916 9.5916 10.0383 10.0383 10.2050 10.2050 11.1873 11.1873 11.2640 11.2640 11.6201 11.6201 12.1511 12.1511 13.1019 13.1019 13.4164 13.4164 14.0162 14.0162 14.6849 14.6849 k = 0.0000 0.3953 0.2254 ( 4286 PWs) bands (ev): -42.2086 -42.2086 -42.2083 -42.2083 -19.8751 -19.8751 -19.8694 -19.8694 -17.8411 -17.8411 -17.8349 -17.8349 -17.7607 -17.7607 -17.7514 -17.7514 1.3230 1.3230 2.5783 2.5783 3.3322 3.3322 3.6507 3.6507 7.6417 7.6417 7.7677 7.7677 8.9218 8.9218 9.6237 9.6237 9.9885 9.9885 10.1691 10.1691 11.2080 11.2080 11.3027 11.3027 11.6020 11.6020 12.0979 12.0979 13.1371 13.1371 13.4664 13.4664 14.0254 14.0254 14.6676 14.6676 k = 0.0000 0.4070 0.2254 ( 4294 PWs) bands (ev): -42.2086 -42.2086 -42.2082 -42.2082 -19.8754 -19.8754 -19.8703 -19.8703 -17.8423 -17.8423 -17.8368 -17.8368 -17.7599 -17.7599 -17.7516 -17.7516 1.4168 1.4168 2.6448 2.6448 3.2130 3.2130 3.6187 3.6187 7.6151 7.6151 7.7621 7.7621 8.9327 8.9327 9.6527 9.6527 9.9357 9.9357 10.1347 10.1347 11.2303 11.2303 11.3396 11.3396 11.5861 11.5861 12.0426 12.0426 13.1779 13.1779 13.5143 13.5143 14.0388 14.0388 14.6420 14.6420 k = 0.0000 0.4186 0.2254 ( 4294 PWs) bands (ev): -42.2085 -42.2085 -42.2080 -42.2080 -19.8755 -19.8755 -19.8711 -19.8711 -17.8433 -17.8433 -17.8385 -17.8385 -17.7591 -17.7591 -17.7518 -17.7518 1.5127 1.5127 2.7059 2.7059 3.1005 3.1005 3.5826 3.5826 7.5928 7.5928 7.7509 7.7509 8.9564 8.9564 9.6764 9.6764 9.8826 9.8826 10.1019 10.1019 11.2561 11.2561 11.3725 11.3725 11.5722 11.5722 11.9859 11.9859 13.2242 13.2242 13.5580 13.5580 14.0559 14.0559 14.6093 14.6093 k = 0.0000 0.4302 0.2254 ( 4288 PWs) bands (ev): -42.2083 -42.2083 -42.2080 -42.2080 -19.8756 -19.8756 -19.8718 -19.8718 -17.8442 -17.8442 -17.8400 -17.8400 -17.7584 -17.7584 -17.7521 -17.7521 1.6106 1.6106 2.7503 2.7503 3.0058 3.0058 3.5425 3.5425 7.5762 7.5762 7.7342 7.7342 8.9915 8.9915 9.6877 9.6877 9.8366 9.8366 10.0706 10.0706 11.2857 11.2857 11.4009 11.4009 11.5606 11.5606 11.9281 11.9281 13.2751 13.2751 13.5957 13.5957 14.0767 14.0767 14.5708 14.5708 k = 0.0000 0.4419 0.2254 ( 4292 PWs) bands (ev): -42.2083 -42.2083 -42.2080 -42.2080 -19.8757 -19.8757 -19.8725 -19.8725 -17.8448 -17.8448 -17.8413 -17.8413 -17.7576 -17.7576 -17.7524 -17.7524 1.7105 1.7105 2.7422 2.7422 2.9646 2.9646 3.4985 3.4985 7.5657 7.5657 7.7132 7.7132 9.0363 9.0363 9.6712 9.6712 9.8141 9.8141 10.0408 10.0408 11.3189 11.3189 11.4247 11.4247 11.5512 11.5512 11.8699 11.8699 13.3294 13.3294 13.6248 13.6248 14.1013 14.1013 14.5280 14.5280 k = 0.0000 0.4535 0.2254 ( 4292 PWs) bands (ev): -42.2082 -42.2082 -42.2079 -42.2079 -19.8757 -19.8757 -19.8731 -19.8731 -17.8453 -17.8453 -17.8425 -17.8425 -17.7569 -17.7569 -17.7527 -17.7527 1.8123 1.8123 2.6664 2.6664 2.9916 2.9916 3.4508 3.4508 7.5612 7.5612 7.6895 7.6895 9.0892 9.0892 9.6236 9.6236 9.8192 9.8192 10.0123 10.0123 11.3548 11.3548 11.4442 11.4442 11.5445 11.5445 11.8118 11.8118 13.3856 13.3856 13.6431 13.6431 14.1301 14.1301 14.4822 14.4822 k = 0.0000 0.4651 0.2254 ( 4292 PWs) bands (ev): -42.2081 -42.2081 -42.2079 -42.2079 -19.8756 -19.8756 -19.8737 -19.8737 -17.8456 -17.8456 -17.8435 -17.8435 -17.7563 -17.7563 -17.7531 -17.7531 1.9160 1.9160 2.5646 2.5646 3.0453 3.0453 3.3996 3.3996 7.5627 7.5627 7.6648 7.6648 9.1485 9.1485 9.5608 9.5608 9.8370 9.8370 9.9848 9.9848 11.3915 11.3915 11.4594 11.4594 11.5419 11.5419 11.7546 11.7546 13.4417 13.4417 13.6487 13.6487 14.1635 14.1635 14.4343 14.4343 k = 0.0000 0.4767 0.2254 ( 4292 PWs) bands (ev): -42.2080 -42.2080 -42.2079 -42.2079 -19.8754 -19.8754 -19.8742 -19.8742 -17.8458 -17.8458 -17.8444 -17.8444 -17.7557 -17.7557 -17.7535 -17.7535 2.0215 2.0215 2.4562 2.4562 3.1058 3.1058 3.3452 3.3452 7.5696 7.5696 7.6405 7.6405 9.2127 9.2127 9.4922 9.4922 9.8590 9.8590 9.9582 9.9582 11.4255 11.4255 11.4696 11.4696 11.5472 11.5472 11.6993 11.6993 13.4957 13.4957 13.6409 13.6409 14.2015 14.2015 14.3855 14.3855 k = 0.0000 0.4884 0.2254 ( 4276 PWs) bands (ev): -42.2079 -42.2079 -42.2078 -42.2078 -19.8752 -19.8752 -19.8746 -19.8746 -17.8457 -17.8457 -17.8450 -17.8450 -17.7551 -17.7551 -17.7540 -17.7540 2.1285 2.1285 2.3464 2.3464 3.1675 3.1675 3.2880 3.2880 7.5815 7.5815 7.6178 7.6178 9.2804 9.2804 9.4214 9.4214 9.8827 9.8827 9.9324 9.9324 11.4516 11.4516 11.4726 11.4726 11.5664 11.5664 11.6474 11.6474 13.5451 13.5451 13.6199 13.6199 14.2438 14.2438 14.3368 14.3368 k = 0.0000 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2369 2.2369 2.2369 2.2369 3.2286 3.2286 3.2286 3.2286 7.5978 7.5978 7.5978 7.5978 9.3504 9.3504 9.3504 9.3504 9.9072 9.9072 9.9072 9.9072 11.4669 11.4669 11.4669 11.4669 11.6015 11.6015 11.6015 11.6015 13.5873 13.5873 13.5873 13.5873 14.2892 14.2892 14.2892 14.2892 k = 0.0000 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2369 2.2369 2.2369 2.2369 3.2286 3.2286 3.2286 3.2286 7.5978 7.5978 7.5978 7.5978 9.3504 9.3504 9.3504 9.3504 9.9072 9.9072 9.9072 9.9072 11.4669 11.4669 11.4669 11.4669 11.6015 11.6015 11.6015 11.6015 13.5873 13.5873 13.5873 13.5873 14.2892 14.2892 14.2892 14.2892 k = 0.0116 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8751 -19.8751 -19.8749 -19.8749 -17.8455 -17.8455 -17.8454 -17.8454 -17.7548 -17.7548 -17.7544 -17.7544 2.2374 2.2374 2.2387 2.2387 3.2293 3.2293 3.2295 3.2295 7.5990 7.5990 7.6000 7.6000 9.3199 9.3199 9.3606 9.3606 9.8889 9.8889 9.9393 9.9393 11.4389 11.4389 11.4821 11.4821 11.5730 11.5730 11.6338 11.6338 13.5749 13.5749 13.5968 13.5968 14.2788 14.2788 14.2951 14.2951 k = 0.0233 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8752 -19.8752 -19.8748 -19.8748 -17.8455 -17.8455 -17.8454 -17.8454 -17.7552 -17.7552 -17.7544 -17.7544 2.2402 2.2402 2.2427 2.2427 3.2317 3.2317 3.2319 3.2319 7.6033 7.6033 7.6052 7.6052 9.2741 9.2741 9.3480 9.3480 9.8872 9.8872 9.9805 9.9805 11.4039 11.4039 11.4700 11.4700 11.5631 11.5631 11.6639 11.6639 13.5595 13.5595 13.6031 13.6031 14.2647 14.2647 14.2957 14.2957 k = 0.0349 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8754 -19.8754 -19.8748 -19.8748 -17.8456 -17.8456 -17.8454 -17.8454 -17.7557 -17.7557 -17.7545 -17.7545 2.2452 2.2452 2.2490 2.2490 3.2355 3.2355 3.2359 3.2359 7.6107 7.6107 7.6137 7.6137 9.2171 9.2171 9.3138 9.3138 9.9009 9.9009 10.0263 10.0263 11.3636 11.3636 11.4314 11.4314 11.5713 11.5713 11.6901 11.6901 13.5414 13.5414 13.6060 13.6060 14.2480 14.2480 14.2908 14.2908 k = 0.0465 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8757 -19.8757 -19.8749 -19.8749 -17.8457 -17.8457 -17.8454 -17.8454 -17.7563 -17.7563 -17.7548 -17.7548 2.2525 2.2525 2.2575 2.2575 3.2410 3.2410 3.2414 3.2414 7.6213 7.6213 7.6252 7.6252 9.1522 9.1522 9.2625 9.2625 9.9257 9.9257 10.0736 10.0736 11.3184 11.3184 11.3808 11.3808 11.5836 11.5836 11.7116 11.7116 13.5204 13.5204 13.6052 13.6052 14.2299 14.2299 14.2805 14.2805 k = 0.0581 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2077 -42.2077 -42.2077 -42.2077 -19.8760 -19.8760 -19.8750 -19.8750 -17.8458 -17.8458 -17.8454 -17.8454 -17.7570 -17.7570 -17.7551 -17.7551 2.2620 2.2620 2.2683 2.2683 3.2480 3.2480 3.2486 3.2486 7.6349 7.6349 7.6397 7.6397 9.0816 9.0816 9.1990 9.1990 9.9568 9.9568 10.1202 10.1202 11.2687 11.2687 11.3237 11.3237 11.5946 11.5946 11.7281 11.7281 13.4967 13.4967 13.6002 13.6002 14.2115 14.2115 14.2655 14.2655 k = 0.0698 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2076 -42.2076 -42.2076 -42.2076 -19.8764 -19.8764 -19.8752 -19.8752 -17.8459 -17.8459 -17.8455 -17.8455 -17.7579 -17.7579 -17.7556 -17.7556 2.2737 2.2737 2.2812 2.2812 3.2565 3.2565 3.2572 3.2572 7.6514 7.6514 7.6570 7.6570 9.0068 9.0068 9.1270 9.1270 9.9908 9.9908 10.1648 10.1648 11.2146 11.2146 11.2619 11.2619 11.6032 11.6032 11.7395 11.7395 13.4707 13.4707 13.5905 13.5905 14.1936 14.1936 14.2472 14.2472 k = 0.0814 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2075 -42.2075 -42.2075 -42.2075 -19.8768 -19.8768 -19.8754 -19.8754 -17.8460 -17.8460 -17.8456 -17.8456 -17.7588 -17.7588 -17.7562 -17.7562 2.2877 2.2877 2.2963 2.2963 3.2665 3.2665 3.2674 3.2674 7.6705 7.6705 7.6770 7.6770 8.9291 8.9291 9.0493 9.0493 10.0251 10.0251 10.2061 10.2061 11.1562 11.1562 11.1960 11.1960 11.6088 11.6088 11.7457 11.7457 13.4428 13.4428 13.5760 13.5760 14.1772 14.1772 14.2272 14.2272 k = 0.0930 0.5000 0.2254 ( 4296 PWs) bands (ev): -42.2075 -42.2075 -42.2075 -42.2075 -19.8772 -19.8772 -19.8757 -19.8757 -17.8462 -17.8462 -17.8457 -17.8457 -17.7598 -17.7598 -17.7569 -17.7569 2.3038 2.3038 2.3135 2.3135 3.2780 3.2780 3.2790 3.2790 7.6921 7.6921 7.6992 7.6992 8.8493 8.8493 8.9678 8.9678 10.0583 10.0583 10.2435 10.2435 11.0936 11.0936 11.1266 11.1266 11.6116 11.6116 11.7466 11.7466 13.4137 13.4137 13.5567 13.5567 14.1626 14.1626 14.2070 14.2070 k = 0.1047 0.5000 0.2254 ( 4296 PWs) bands (ev): -42.2074 -42.2074 -42.2074 -42.2074 -19.8777 -19.8777 -19.8760 -19.8760 -17.8464 -17.8464 -17.8459 -17.8459 -17.7609 -17.7609 -17.7577 -17.7577 2.3220 2.3220 2.3328 2.3328 3.2910 3.2910 3.2921 3.2921 7.7159 7.7159 7.7234 7.7234 8.7684 8.7684 8.8838 8.8838 10.0893 10.0893 10.2765 10.2765 11.0271 11.0271 11.0540 11.0540 11.6115 11.6115 11.7423 11.7423 13.3843 13.3843 13.5330 13.5330 14.1503 14.1503 14.1882 14.1882 k = 0.1163 0.5000 0.2254 ( 4292 PWs) bands (ev): -42.2072 -42.2072 -42.2072 -42.2072 -19.8782 -19.8782 -19.8764 -19.8764 -17.8466 -17.8466 -17.8460 -17.8460 -17.7621 -17.7621 -17.7586 -17.7586 2.3424 2.3424 2.3542 2.3542 3.3053 3.3053 3.3066 3.3066 7.7413 7.7413 7.7489 7.7489 8.6874 8.6874 8.7987 8.7987 10.1175 10.1175 10.3043 10.3043 10.9568 10.9568 10.9787 10.9787 11.6087 11.6087 11.7330 11.7330 13.3558 13.3558 13.5058 13.5058 14.1404 14.1404 14.1717 14.1717 k = 0.1279 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2071 -42.2071 -42.2071 -42.2071 -19.8788 -19.8788 -19.8768 -19.8768 -17.8468 -17.8468 -17.8463 -17.8463 -17.7633 -17.7633 -17.7595 -17.7595 2.3647 2.3647 2.3776 2.3776 3.3211 3.3211 3.3225 3.3225 7.7677 7.7677 7.7749 7.7749 8.6075 8.6075 8.7136 8.7136 10.1423 10.1423 10.3266 10.3266 10.8828 10.8828 10.9010 10.9010 11.6033 11.6033 11.7189 11.7189 13.3291 13.3291 13.4762 13.4762 14.1327 14.1327 14.1580 14.1580 k = 0.1395 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2069 -42.2069 -42.2069 -42.2069 -19.8794 -19.8794 -19.8772 -19.8772 -17.8472 -17.8472 -17.8466 -17.8466 -17.7645 -17.7645 -17.7605 -17.7605 2.3892 2.3892 2.4029 2.4029 3.3381 3.3381 3.3397 3.3397 7.7940 7.7940 7.8000 7.8000 8.5302 8.5302 8.6300 8.6300 10.1634 10.1634 10.3428 10.3428 10.8055 10.8055 10.8217 10.8217 11.5956 11.5956 11.7003 11.7003 13.3053 13.3053 13.4457 13.4457 14.1271 14.1271 14.1473 14.1473 k = 0.1512 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2067 -42.2067 -42.2067 -42.2067 -19.8800 -19.8800 -19.8777 -19.8777 -17.8475 -17.8475 -17.8469 -17.8469 -17.7658 -17.7658 -17.7616 -17.7616 2.4155 2.4155 2.4302 2.4302 3.3563 3.3563 3.3582 3.3582 7.8188 7.8188 7.8221 7.8221 8.4578 8.4578 8.5497 8.5497 10.1807 10.1807 10.3522 10.3522 10.7252 10.7252 10.7416 10.7416 11.5856 11.5856 11.6778 11.6778 13.2852 13.2852 13.4159 13.4159 14.1233 14.1233 14.1392 14.1392 k = 0.1628 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2065 -42.2065 -42.2065 -42.2065 -19.8806 -19.8806 -19.8782 -19.8782 -17.8479 -17.8479 -17.8473 -17.8473 -17.7670 -17.7670 -17.7626 -17.7626 2.4438 2.4438 2.4592 2.4592 3.3758 3.3758 3.3779 3.3779 7.8380 7.8380 7.8396 7.8396 8.3938 8.3938 8.4753 8.4753 10.1937 10.1937 10.3532 10.3532 10.6424 10.6424 10.6625 10.6625 11.5736 11.5736 11.6519 11.6519 13.2695 13.2695 13.3880 13.3880 14.1210 14.1210 14.1334 14.1334 k = 0.1744 0.5000 0.2254 ( 4276 PWs) bands (ev): -42.2063 -42.2063 -42.2063 -42.2063 -19.8812 -19.8812 -19.8788 -19.8788 -17.8484 -17.8484 -17.8478 -17.8478 -17.7683 -17.7683 -17.7637 -17.7637 2.4739 2.4739 2.4901 2.4901 3.3963 3.3963 3.3986 3.3986 7.8429 7.8429 7.8526 7.8526 8.3428 8.3428 8.4107 8.4107 10.2021 10.2021 10.3431 10.3431 10.5578 10.5578 10.5874 10.5874 11.5598 11.5598 11.6232 11.6232 13.2586 13.2586 13.3634 13.3634 14.1199 14.1199 14.1296 14.1296 k = 0.1860 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2062 -42.2062 -42.2062 -42.2062 -19.8819 -19.8819 -19.8793 -19.8793 -17.8489 -17.8489 -17.8484 -17.8484 -17.7695 -17.7695 -17.7649 -17.7649 2.5058 2.5058 2.5226 2.5226 3.4179 3.4179 3.4204 3.4204 7.8315 7.8315 7.8529 7.8529 8.3103 8.3103 8.3609 8.3609 10.2052 10.2052 10.3170 10.3170 10.4726 10.4726 10.5221 10.5221 11.5443 11.5443 11.5923 11.5923 13.2527 13.2527 13.3430 13.3430 14.1198 14.1198 14.1273 14.1273 k = 0.1977 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2061 -42.2061 -42.2061 -42.2061 -19.8826 -19.8826 -19.8800 -19.8800 -17.8495 -17.8495 -17.8490 -17.8490 -17.7707 -17.7707 -17.7660 -17.7660 2.5394 2.5394 2.5568 2.5568 3.4403 3.4403 3.4431 3.4431 7.8012 7.8012 7.8355 7.8355 8.2988 8.2988 8.3309 8.3309 10.2006 10.2006 10.2696 10.2696 10.3898 10.3898 10.4723 10.4723 11.5275 11.5275 11.5601 11.5601 13.2520 13.2520 13.3275 13.3275 14.1204 14.1204 14.1260 14.1260 k = 0.2093 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2058 -42.2058 -42.2058 -42.2058 -19.8833 -19.8833 -19.8806 -19.8806 -17.8502 -17.8502 -17.8497 -17.8497 -17.7718 -17.7718 -17.7670 -17.7670 2.5746 2.5746 2.5925 2.5925 3.4636 3.4636 3.4667 3.4667 7.7536 7.7536 7.7988 7.7988 8.3066 8.3066 8.3221 8.3221 10.1815 10.1815 10.2027 10.2027 10.3171 10.3171 10.4371 10.4371 11.5095 11.5095 11.5270 11.5270 13.2563 13.2563 13.3174 13.3174 14.1215 14.1215 14.1256 14.1256 k = 0.2209 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2056 -42.2056 -42.2056 -42.2056 -19.8840 -19.8840 -19.8813 -19.8813 -17.8509 -17.8509 -17.8505 -17.8505 -17.7728 -17.7728 -17.7681 -17.7681 2.6114 2.6114 2.6296 2.6296 3.4875 3.4875 3.4909 3.4909 7.6935 7.6935 7.7457 7.7457 8.3286 8.3286 8.3315 8.3315 10.1239 10.1239 10.1343 10.1343 10.2688 10.2688 10.4101 10.4101 11.4905 11.4905 11.4937 11.4937 13.2655 13.2655 13.3128 13.3128 14.1229 14.1229 14.1257 14.1257 k = 0.2326 0.5000 0.2254 ( 4276 PWs) bands (ev): -42.2054 -42.2054 -42.2054 -42.2054 -19.8847 -19.8847 -19.8819 -19.8819 -17.8517 -17.8517 -17.8513 -17.8513 -17.7738 -17.7738 -17.7691 -17.7691 2.6497 2.6497 2.6682 2.6682 3.5120 3.5120 3.5156 3.5156 7.6257 7.6257 7.6812 7.6812 8.3537 8.3537 8.3597 8.3597 10.0395 10.0395 10.0612 10.0612 10.2441 10.2441 10.3862 10.3862 11.4608 11.4608 11.4707 11.4707 13.2794 13.2794 13.3139 13.3139 14.1244 14.1244 14.1262 14.1262 k = 0.2442 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2051 -42.2051 -42.2051 -42.2051 -19.8854 -19.8854 -19.8826 -19.8826 -17.8525 -17.8525 -17.8523 -17.8523 -17.7747 -17.7747 -17.7701 -17.7701 2.6893 2.6893 2.7080 2.7080 3.5368 3.5368 3.5408 3.5408 7.5537 7.5537 7.6100 7.6100 8.3835 8.3835 8.3959 8.3959 9.9533 9.9533 9.9779 9.9779 10.2282 10.2282 10.3628 10.3628 11.4285 11.4285 11.4503 11.4503 13.2976 13.2976 13.3205 13.3205 14.1259 14.1259 14.1267 14.1267 k = 0.2558 0.5000 0.2254 ( 4264 PWs) bands (ev): -42.2049 -42.2049 -42.2049 -42.2049 -19.8862 -19.8862 -19.8833 -19.8833 -17.8534 -17.8534 -17.8533 -17.8533 -17.7756 -17.7756 -17.7710 -17.7710 2.7302 2.7302 2.7489 2.7489 3.5618 3.5618 3.5661 3.5661 7.4798 7.4798 7.5354 7.5354 8.4170 8.4170 8.4342 8.4342 9.8678 9.8678 9.8928 9.8928 10.2144 10.2144 10.3393 10.3393 11.3974 11.3974 11.4296 11.4296 13.3197 13.3197 13.3324 13.3324 14.1271 14.1271 14.1272 14.1272 k = 0.2674 0.5000 0.2254 ( 4260 PWs) bands (ev): -42.2047 -42.2047 -42.2047 -42.2047 -19.8869 -19.8869 -19.8841 -19.8841 -17.8544 -17.8544 -17.8543 -17.8543 -17.7763 -17.7763 -17.7718 -17.7718 2.7723 2.7723 2.7910 2.7910 3.5868 3.5868 3.5914 3.5914 7.4056 7.4056 7.4594 7.4594 8.4512 8.4512 8.4722 8.4722 9.7849 9.7849 9.8095 9.8095 10.2009 10.2009 10.3154 10.3154 11.3675 11.3675 11.4086 11.4086 13.3455 13.3455 13.3491 13.3491 14.1273 14.1273 14.1282 14.1282 k = 0.2791 0.5000 0.2254 ( 4256 PWs) bands (ev): -42.2045 -42.2045 -42.2045 -42.2045 -19.8875 -19.8875 -19.8848 -19.8848 -17.8555 -17.8555 -17.8554 -17.8554 -17.7770 -17.7770 -17.7726 -17.7726 2.8154 2.8154 2.8340 2.8340 3.6116 3.6116 3.6165 3.6165 7.3320 7.3320 7.3835 7.3835 8.4835 8.4835 8.5074 8.5074 9.7067 9.7067 9.7305 9.7305 10.1872 10.1872 10.2914 10.2914 11.3391 11.3391 11.3875 11.3875 13.3704 13.3704 13.3746 13.3746 14.1270 14.1270 14.1287 14.1287 k = 0.2907 0.5000 0.2254 ( 4260 PWs) bands (ev): -42.2043 -42.2043 -42.2043 -42.2043 -19.8882 -19.8882 -19.8855 -19.8855 -17.8566 -17.8566 -17.8565 -17.8565 -17.7776 -17.7776 -17.7734 -17.7734 2.8594 2.8594 2.8778 2.8778 3.6359 3.6359 3.6412 3.6412 7.2599 7.2599 7.3088 7.3088 8.5113 8.5113 8.5376 8.5376 9.6353 9.6353 9.6580 9.6580 10.1735 10.1735 10.2676 10.2676 11.3123 11.3123 11.3665 11.3665 13.3958 13.3958 13.4065 13.4065 14.1262 14.1262 14.1286 14.1286 k = 0.3023 0.5000 0.2254 ( 4244 PWs) bands (ev): -42.2040 -42.2040 -42.2040 -42.2040 -19.8889 -19.8889 -19.8862 -19.8862 -17.8578 -17.8578 -17.8576 -17.8576 -17.7781 -17.7781 -17.7741 -17.7741 2.9043 2.9043 2.9223 2.9223 3.6595 3.6595 3.6652 3.6652 7.1899 7.1899 7.2359 7.2359 8.5321 8.5321 8.5600 8.5600 9.5731 9.5731 9.5943 9.5943 10.1600 10.1600 10.2444 10.2444 11.2871 11.2871 11.3456 11.3456 13.4247 13.4247 13.4409 13.4409 14.1248 14.1248 14.1279 14.1279 k = 0.3140 0.5000 0.2254 ( 4260 PWs) bands (ev): -42.2039 -42.2039 -42.2039 -42.2039 -19.8895 -19.8895 -19.8870 -19.8870 -17.8590 -17.8590 -17.8588 -17.8588 -17.7785 -17.7785 -17.7747 -17.7747 2.9498 2.9498 2.9673 2.9673 3.6822 3.6822 3.6882 3.6882 7.1225 7.1225 7.1655 7.1655 8.5436 8.5436 8.5722 8.5722 9.5224 9.5224 9.5414 9.5414 10.1472 10.1472 10.2223 10.2223 11.2637 11.2637 11.3251 11.3251 13.4567 13.4567 13.4773 13.4773 14.1227 14.1227 14.1264 14.1264 k = 0.3256 0.5000 0.2254 ( 4264 PWs) bands (ev): -42.2038 -42.2038 -42.2038 -42.2038 -19.8902 -19.8902 -19.8877 -19.8877 -17.8602 -17.8602 -17.8599 -17.8599 -17.7788 -17.7788 -17.7752 -17.7752 2.9958 2.9958 3.0128 3.0128 3.7037 3.7037 3.7099 3.7099 7.0582 7.0582 7.0981 7.0981 8.5438 8.5438 8.5722 8.5722 9.4849 9.4849 9.5012 9.5012 10.1355 10.1355 10.2018 10.2018 11.2419 11.2419 11.3050 11.3050 13.4913 13.4913 13.5152 13.5152 14.1197 14.1197 14.1241 14.1241 k = 0.3372 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2036 -42.2036 -42.2036 -42.2036 -19.8908 -19.8908 -19.8884 -19.8884 -17.8615 -17.8615 -17.8611 -17.8611 -17.7791 -17.7791 -17.7757 -17.7757 3.0421 3.0421 3.0584 3.0584 3.7236 3.7236 3.7300 3.7300 6.9972 6.9972 7.0341 7.0341 8.5317 8.5317 8.5590 8.5590 9.4615 9.4615 9.4743 9.4743 10.1254 10.1254 10.1834 10.1834 11.2219 11.2219 11.2855 11.2855 13.5278 13.5278 13.5543 13.5543 14.1158 14.1158 14.1209 14.1209 k = 0.3488 0.5000 0.2254 ( 4264 PWs) bands (ev): -42.2034 -42.2034 -42.2034 -42.2034 -19.8913 -19.8913 -19.8890 -19.8890 -17.8626 -17.8626 -17.8622 -17.8622 -17.7793 -17.7793 -17.7762 -17.7762 3.0886 3.0886 3.1042 3.1042 3.7417 3.7417 3.7483 3.7483 6.9400 6.9400 6.9738 6.9738 8.5078 8.5078 8.5332 8.5332 9.4512 9.4512 9.4600 9.4600 10.1174 10.1174 10.1675 10.1675 11.2035 11.2035 11.2666 11.2666 13.5658 13.5658 13.5940 13.5940 14.1111 14.1111 14.1167 14.1167 k = 0.3605 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2033 -42.2033 -42.2033 -42.2033 -19.8918 -19.8918 -19.8897 -19.8897 -17.8638 -17.8638 -17.8633 -17.8633 -17.7795 -17.7795 -17.7765 -17.7765 3.1350 3.1350 3.1497 3.1497 3.7577 3.7577 3.7645 3.7645 6.8867 6.8867 6.9175 6.9175 8.4738 8.4738 8.4969 8.4969 9.4517 9.4517 9.4566 9.4566 10.1118 10.1118 10.1546 10.1546 11.1868 11.1868 11.2484 11.2484 13.6045 13.6045 13.6338 13.6338 14.1055 14.1055 14.1116 14.1116 k = 0.3721 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2032 -42.2032 -42.2032 -42.2032 -19.8923 -19.8923 -19.8903 -19.8903 -17.8649 -17.8649 -17.8644 -17.8644 -17.7796 -17.7796 -17.7769 -17.7769 3.1811 3.1811 3.1949 3.1949 3.7714 3.7714 3.7782 3.7782 6.8377 6.8377 6.8655 6.8655 8.4322 8.4322 8.4529 8.4529 9.4601 9.4601 9.4612 9.4612 10.1091 10.1091 10.1451 10.1451 11.1718 11.1718 11.2310 11.2310 13.6435 13.6435 13.6731 13.6731 14.0992 14.0992 14.1057 14.1057 k = 0.3837 0.5000 0.2254 ( 4276 PWs) bands (ev): -42.2031 -42.2031 -42.2031 -42.2031 -19.8928 -19.8928 -19.8909 -19.8909 -17.8660 -17.8660 -17.8655 -17.8655 -17.7797 -17.7797 -17.7772 -17.7772 3.2267 3.2267 3.2395 3.2395 3.7825 3.7825 3.7892 3.7892 6.7931 6.7931 6.8180 6.8180 8.3858 8.3858 8.4040 8.4040 9.4710 9.4710 9.4733 9.4733 10.1094 10.1094 10.1392 10.1392 11.1583 11.1583 11.2146 11.2146 13.6820 13.6820 13.7113 13.7113 14.0922 14.0922 14.0991 14.0991 k = 0.3953 0.5000 0.2254 ( 4276 PWs) bands (ev): -42.2030 -42.2030 -42.2030 -42.2030 -19.8932 -19.8932 -19.8914 -19.8914 -17.8670 -17.8670 -17.8665 -17.8665 -17.7797 -17.7797 -17.7775 -17.7775 3.2715 3.2715 3.2831 3.2831 3.7908 3.7908 3.7974 3.7974 6.7531 6.7531 6.7752 6.7752 8.3371 8.3371 8.3531 8.3531 9.4837 9.4837 9.4886 9.4886 10.1128 10.1128 10.1369 10.1369 11.1466 11.1466 11.1990 11.1990 13.7193 13.7193 13.7477 13.7477 14.0850 14.0850 14.0920 14.0920 k = 0.4070 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2028 -42.2028 -42.2028 -42.2028 -19.8935 -19.8935 -19.8920 -19.8920 -17.8679 -17.8679 -17.8674 -17.8674 -17.7797 -17.7797 -17.7777 -17.7777 3.3150 3.3150 3.3255 3.3255 3.7962 3.7962 3.8025 3.8025 6.7177 6.7177 6.7371 6.7371 8.2884 8.2884 8.3024 8.3024 9.4971 9.4971 9.5039 9.5039 10.1189 10.1189 10.1381 10.1381 11.1364 11.1364 11.1846 11.1846 13.7547 13.7547 13.7815 13.7815 14.0778 14.0778 14.0849 14.0849 k = 0.4186 0.5000 0.2254 ( 4256 PWs) bands (ev): -42.2026 -42.2026 -42.2026 -42.2026 -19.8938 -19.8938 -19.8924 -19.8924 -17.8687 -17.8687 -17.8682 -17.8682 -17.7796 -17.7796 -17.7779 -17.7779 3.3570 3.3570 3.3662 3.3662 3.7986 3.7986 3.8046 3.8046 6.6870 6.6870 6.7038 6.7038 8.2416 8.2416 8.2536 8.2536 9.5100 9.5100 9.5179 9.5179 10.1274 10.1274 10.1423 10.1423 11.1279 11.1279 11.1712 11.1712 13.7873 13.7873 13.8120 13.8120 14.0710 14.0710 14.0781 14.0781 k = 0.4302 0.5000 0.2254 ( 4252 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8940 -19.8940 -19.8929 -19.8929 -17.8694 -17.8694 -17.8690 -17.8690 -17.7796 -17.7796 -17.7781 -17.7781 3.3969 3.3969 3.4048 3.4048 3.7983 3.7983 3.8037 3.8037 6.6609 6.6609 6.6751 6.6751 8.1982 8.1982 8.2085 8.2085 9.5216 9.5216 9.5298 9.5298 10.1375 10.1375 10.1488 10.1488 11.1209 11.1209 11.1590 11.1590 13.8163 13.8163 13.8383 13.8383 14.0653 14.0653 14.0722 14.0722 k = 0.4419 0.5000 0.2254 ( 4264 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8943 -19.8943 -19.8933 -19.8933 -17.8700 -17.8700 -17.8696 -17.8696 -17.7795 -17.7795 -17.7783 -17.7783 3.4341 3.4341 3.4407 3.4407 3.7954 3.7954 3.8002 3.8002 6.6394 6.6394 6.6511 6.6511 8.1596 8.1596 8.1681 8.1681 9.5314 9.5314 9.5393 9.5393 10.1483 10.1483 10.1567 10.1567 11.1156 11.1156 11.1480 11.1480 13.8411 13.8411 13.8599 13.8599 14.0610 14.0610 14.0676 14.0676 k = 0.4535 0.5000 0.2254 ( 4268 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8936 -19.8936 -17.8705 -17.8705 -17.8702 -17.8702 -17.7794 -17.7794 -17.7785 -17.7785 3.4677 3.4677 3.4730 3.4730 3.7904 3.7904 3.7945 3.7945 6.6222 6.6222 6.6315 6.6315 8.1267 8.1267 8.1335 8.1335 9.5394 9.5394 9.5464 9.5464 10.1589 10.1589 10.1650 10.1650 11.1119 11.1119 11.1382 11.1382 13.8610 13.8610 13.8763 13.8763 14.0586 14.0586 14.0646 14.0646 k = 0.4651 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8939 -19.8939 -17.8709 -17.8709 -17.8707 -17.8707 -17.7793 -17.7793 -17.7786 -17.7786 3.4967 3.4967 3.5006 3.5006 3.7843 3.7843 3.7874 3.7874 6.6094 6.6094 6.6163 6.6163 8.1004 8.1004 8.1055 8.1055 9.5456 9.5456 9.5512 9.5512 10.1684 10.1684 10.1726 10.1726 11.1098 11.1098 11.1298 11.1298 13.8761 13.8761 13.8875 13.8875 14.0580 14.0580 14.0630 14.0630 k = 0.4767 0.5000 0.2254 ( 4284 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8941 -19.8941 -17.8712 -17.8712 -17.8710 -17.8710 -17.7792 -17.7792 -17.7787 -17.7787 3.5196 3.5196 3.5222 3.5222 3.7782 3.7782 3.7804 3.7804 6.6006 6.6006 6.6052 6.6052 8.0815 8.0815 8.0849 8.0849 9.5502 9.5502 9.5541 9.5541 10.1760 10.1760 10.1786 10.1786 11.1093 11.1093 11.1228 11.1228 13.8866 13.8866 13.8942 13.8942 14.0587 14.0587 14.0624 14.0624 k = 0.4884 0.5000 0.2254 ( 4288 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8943 -19.8943 -17.8713 -17.8713 -17.8712 -17.8712 -17.7791 -17.7791 -17.7789 -17.7789 3.5347 3.5347 3.5360 3.5360 3.7737 3.7737 3.7749 3.7749 6.5959 6.5959 6.5982 6.5982 8.0702 8.0702 8.0719 8.0719 9.5533 9.5533 9.5553 9.5553 10.1810 10.1810 10.1823 10.1823 11.1104 11.1104 11.1172 11.1172 13.8933 13.8933 13.8970 13.8970 14.0601 14.0601 14.0620 14.0620 k = 0.5000 0.5000 0.2254 ( 4296 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5404 3.5404 3.5404 3.5404 3.7724 3.7724 3.7724 3.7724 6.5951 6.5951 6.5951 6.5951 8.0670 8.0670 8.0670 8.0670 9.5550 9.5550 9.5550 9.5550 10.1831 10.1831 10.1831 10.1831 11.1130 11.1130 11.1130 11.1130 13.8967 13.8967 13.8967 13.8967 14.0613 14.0613 14.0613 14.0613 k = 0.5000 0.5000 0.2254 ( 4296 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5404 3.5404 3.5404 3.5404 3.7724 3.7724 3.7724 3.7724 6.5951 6.5951 6.5951 6.5951 8.0670 8.0670 8.0670 8.0670 9.5550 9.5550 9.5550 9.5550 10.1831 10.1831 10.1831 10.1831 11.1130 11.1130 11.1130 11.1130 13.8967 13.8967 13.8967 13.8967 14.0613 14.0613 14.0613 14.0613 k = 0.4917 0.4917 0.2254 ( 4288 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8943 -19.8943 -17.8713 -17.8713 -17.8712 -17.8712 -17.7791 -17.7791 -17.7789 -17.7789 3.5311 3.5311 3.5393 3.5393 3.7734 3.7734 3.7753 3.7753 6.5903 6.5903 6.6039 6.6039 8.0679 8.0679 8.0745 8.0745 9.5527 9.5527 9.5559 9.5559 10.1801 10.1801 10.1830 10.1830 11.1103 11.1103 11.1173 11.1173 13.8929 13.8929 13.8974 13.8974 14.0600 14.0600 14.0621 14.0621 k = 0.4833 0.4833 0.2254 ( 4284 PWs) bands (ev): -42.2025 -42.2025 -42.2024 -42.2024 -19.8945 -19.8945 -19.8941 -19.8941 -17.8711 -17.8711 -17.8710 -17.8710 -17.7792 -17.7792 -17.7787 -17.7787 3.5046 3.5046 3.5360 3.5360 3.7770 3.7770 3.7824 3.7824 6.5766 6.5766 6.6297 6.6297 8.0708 8.0708 8.0961 8.0961 9.5471 9.5471 9.5573 9.5573 10.1716 10.1716 10.1824 10.1824 11.1088 11.1088 11.1235 11.1235 13.8848 13.8848 13.8965 13.8965 14.0578 14.0578 14.0625 14.0625 k = 0.4750 0.4750 0.2254 ( 4280 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8939 -19.8939 -17.8709 -17.8709 -17.8706 -17.8706 -17.7794 -17.7794 -17.7786 -17.7786 3.4634 3.4634 3.5304 3.5304 3.7829 3.7829 3.7918 3.7918 6.5551 6.5551 6.6721 6.6721 8.0758 8.0758 8.1308 8.1308 9.5379 9.5379 9.5596 9.5596 10.1575 10.1575 10.1812 10.1812 11.1082 11.1082 11.1317 11.1317 13.8719 13.8719 13.8946 13.8946 14.0547 14.0547 14.0630 14.0630 k = 0.4667 0.4667 0.2254 ( 4276 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8944 -19.8944 -19.8936 -19.8936 -17.8705 -17.8705 -17.8702 -17.8702 -17.7795 -17.7795 -17.7784 -17.7784 3.4103 3.4103 3.5224 3.5224 3.7912 3.7912 3.8020 3.8020 6.5273 6.5273 6.7298 6.7298 8.0826 8.0826 8.1771 8.1771 9.5255 9.5255 9.5628 9.5628 10.1381 10.1381 10.1796 10.1796 11.1082 11.1082 11.1422 11.1422 13.8549 13.8549 13.8916 13.8916 14.0506 14.0506 14.0634 14.0634 k = 0.4583 0.4583 0.2254 ( 4258 PWs) bands (ev): -42.2025 -42.2025 -42.2024 -42.2024 -19.8943 -19.8943 -19.8932 -19.8932 -17.8699 -17.8699 -17.8695 -17.8695 -17.7796 -17.7796 -17.7782 -17.7782 3.3471 3.3471 3.5120 3.5120 3.8018 3.8018 3.8124 3.8124 6.4951 6.4951 6.8017 6.8017 8.0915 8.0915 8.2330 8.2330 9.5101 9.5101 9.5669 9.5669 10.1137 10.1137 10.1777 10.1777 11.1087 11.1087 11.1550 11.1550 13.8344 13.8344 13.8872 13.8872 14.0453 14.0453 14.0639 14.0639 k = 0.4500 0.4500 0.2254 ( 4258 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8941 -19.8941 -19.8928 -19.8928 -17.8693 -17.8693 -17.8688 -17.8688 -17.7797 -17.7797 -17.7780 -17.7780 3.2755 3.2755 3.4988 3.4988 3.8143 3.8143 3.8228 3.8228 6.4603 6.4603 6.8863 6.8863 8.1022 8.1022 8.2966 8.2966 9.4922 9.4922 9.5719 9.5719 10.0846 10.0846 10.1754 10.1754 11.1097 11.1097 11.1699 11.1699 13.8113 13.8113 13.8813 13.8813 14.0389 14.0389 14.0646 14.0646 k = 0.4417 0.4417 0.2254 ( 4258 PWs) bands (ev): -42.2026 -42.2026 -42.2026 -42.2026 -19.8938 -19.8938 -19.8923 -19.8923 -17.8685 -17.8685 -17.8680 -17.8680 -17.7799 -17.7799 -17.7778 -17.7778 3.1969 3.1969 3.4828 3.4828 3.8276 3.8276 3.8346 3.8346 6.4246 6.4246 6.9821 6.9821 8.1148 8.1148 8.3660 8.3660 9.4724 9.4724 9.5777 9.5777 10.0513 10.0513 10.1728 10.1728 11.1111 11.1111 11.1868 11.1868 13.7868 13.7868 13.8737 13.8737 14.0312 14.0312 14.0654 14.0654 k = 0.4333 0.4333 0.2254 ( 4260 PWs) bands (ev): -42.2028 -42.2028 -42.2027 -42.2027 -19.8935 -19.8935 -19.8917 -19.8917 -17.8677 -17.8677 -17.8670 -17.8670 -17.7800 -17.7800 -17.7775 -17.7775 3.1124 3.1124 3.4638 3.4638 3.8385 3.8385 3.8507 3.8507 6.3895 6.3895 7.0878 7.0878 8.1292 8.1292 8.4396 8.4396 9.4511 9.4511 9.5844 9.5844 10.0143 10.0143 10.1700 10.1700 11.1130 11.1130 11.2056 11.2056 13.7618 13.7618 13.8642 13.8642 14.0223 14.0223 14.0665 14.0665 k = 0.4250 0.4250 0.2254 ( 4268 PWs) bands (ev): -42.2030 -42.2030 -42.2029 -42.2029 -19.8932 -19.8932 -19.8912 -19.8912 -17.8667 -17.8667 -17.8659 -17.8659 -17.7802 -17.7802 -17.7773 -17.7773 3.0231 3.0231 3.4416 3.4416 3.8479 3.8479 3.8705 3.8705 6.3562 6.3562 7.2022 7.2022 8.1455 8.1455 8.5158 8.5158 9.4289 9.4289 9.5920 9.5920 9.9741 9.9741 10.1670 10.1670 11.1154 11.1154 11.2260 11.2260 13.7376 13.7376 13.8527 13.8527 14.0121 14.0121 14.0678 14.0678 k = 0.4167 0.4167 0.2254 ( 4272 PWs) bands (ev): -42.2031 -42.2031 -42.2030 -42.2030 -19.8928 -19.8928 -19.8905 -19.8905 -17.8656 -17.8656 -17.8647 -17.8647 -17.7804 -17.7804 -17.7770 -17.7770 2.9299 2.9299 3.4160 3.4160 3.8567 3.8567 3.8930 3.8930 6.3259 6.3259 7.3239 7.3239 8.1636 8.1636 8.5931 8.5931 9.4064 9.4064 9.6002 9.6002 9.9316 9.9316 10.1639 10.1639 11.1186 11.1186 11.2479 11.2479 13.7152 13.7152 13.8394 13.8394 14.0006 14.0006 14.0694 14.0694 k = 0.4083 0.4083 0.2254 ( 4268 PWs) bands (ev): -42.2033 -42.2033 -42.2031 -42.2031 -19.8924 -19.8924 -19.8898 -19.8898 -17.8644 -17.8644 -17.8634 -17.8634 -17.7806 -17.7806 -17.7766 -17.7766 2.8337 2.8337 3.3869 3.3869 3.8651 3.8651 3.9180 3.9180 6.2994 6.2994 7.4521 7.4521 8.1834 8.1834 8.6699 8.6699 9.3842 9.3842 9.6091 9.6091 9.8876 9.8876 10.1609 10.1609 11.1227 11.1227 11.2709 11.2709 13.6957 13.6957 13.8243 13.8243 13.9877 13.9877 14.0715 14.0715 k = 0.4000 0.4000 0.2254 ( 4268 PWs) bands (ev): -42.2035 -42.2035 -42.2033 -42.2033 -19.8919 -19.8919 -19.8890 -19.8890 -17.8630 -17.8630 -17.8620 -17.8620 -17.7807 -17.7807 -17.7763 -17.7763 2.7352 2.7352 3.3542 3.3542 3.8732 3.8732 3.9454 3.9454 6.2773 6.2773 7.5857 7.5857 8.2048 8.2048 8.7448 8.7448 9.3629 9.3629 9.6183 9.6183 9.8431 9.8431 10.1579 10.1579 11.1280 11.1280 11.2950 11.2950 13.6800 13.6800 13.8077 13.8077 13.9735 13.9735 14.0739 14.0739 k = 0.3917 0.3917 0.2254 ( 4266 PWs) bands (ev): -42.2037 -42.2037 -42.2034 -42.2034 -19.8914 -19.8914 -19.8882 -19.8882 -17.8616 -17.8616 -17.8605 -17.8605 -17.7809 -17.7809 -17.7759 -17.7759 2.6350 2.6350 3.3179 3.3179 3.8809 3.8809 3.9752 3.9752 6.2603 6.2603 7.7238 7.7238 8.2278 8.2278 8.8161 8.8161 9.3430 9.3430 9.6274 9.6274 9.7997 9.7997 10.1551 10.1551 11.1349 11.1349 11.3197 11.3197 13.6689 13.6689 13.7896 13.7896 13.9577 13.9577 14.0767 14.0767 k = 0.3833 0.3833 0.2254 ( 4266 PWs) bands (ev): -42.2039 -42.2039 -42.2035 -42.2035 -19.8908 -19.8908 -19.8874 -19.8874 -17.8601 -17.8601 -17.8588 -17.8588 -17.7811 -17.7811 -17.7755 -17.7755 2.5336 2.5336 3.2779 3.2779 3.8882 3.8882 4.0074 4.0074 6.2486 6.2486 7.8656 7.8656 8.2524 8.2524 8.8820 8.8820 9.3252 9.3252 9.6350 9.6350 9.7602 9.7602 10.1525 10.1525 11.1436 11.1436 11.3450 11.3450 13.6632 13.6632 13.7704 13.7704 13.9404 13.9404 14.0799 14.0799 k = 0.3750 0.3750 0.2254 ( 4274 PWs) bands (ev): -42.2042 -42.2042 -42.2038 -42.2038 -19.8902 -19.8902 -19.8865 -19.8865 -17.8584 -17.8584 -17.8571 -17.8571 -17.7813 -17.7813 -17.7751 -17.7751 2.4315 2.4315 3.2343 3.2343 3.8951 3.8951 4.0419 4.0419 6.2425 6.2425 8.0102 8.0102 8.2785 8.2785 8.9403 8.9403 9.3104 9.3104 9.6379 9.6379 9.7296 9.7296 10.1504 10.1504 11.1547 11.1547 11.3705 11.3705 13.6633 13.6633 13.7505 13.7505 13.9214 13.9214 14.0836 14.0836 k = 0.3667 0.3667 0.2254 ( 4262 PWs) bands (ev): -42.2043 -42.2043 -42.2039 -42.2039 -19.8896 -19.8896 -19.8855 -19.8855 -17.8567 -17.8567 -17.8553 -17.8553 -17.7816 -17.7816 -17.7746 -17.7746 2.3291 2.3291 3.1874 3.1874 3.9013 3.9013 4.0788 4.0788 6.2420 6.2420 8.1567 8.1567 8.3059 8.3059 8.9880 8.9880 9.2994 9.2994 9.6309 9.6309 9.7151 9.7151 10.1488 10.1488 11.1686 11.1686 11.3961 11.3961 13.6696 13.6696 13.7304 13.7304 13.9008 13.9008 14.0877 14.0877 k = 0.3583 0.3583 0.2254 ( 4262 PWs) bands (ev): -42.2045 -42.2045 -42.2041 -42.2041 -19.8889 -19.8889 -19.8845 -19.8845 -17.8549 -17.8549 -17.8533 -17.8533 -17.7818 -17.7818 -17.7741 -17.7741 2.2267 2.2267 3.1371 3.1371 3.9069 3.9069 4.1181 4.1181 6.2471 6.2471 8.3037 8.3037 8.3347 8.3347 9.0221 9.0221 9.2938 9.2938 9.6167 9.6167 9.7168 9.7168 10.1477 10.1477 11.1857 11.1857 11.4214 11.4214 13.6805 13.6805 13.7120 13.7120 13.8784 13.8784 14.0923 14.0923 k = 0.3500 0.3500 0.2254 ( 4260 PWs) bands (ev): -42.2047 -42.2047 -42.2043 -42.2043 -19.8882 -19.8882 -19.8834 -19.8834 -17.8530 -17.8530 -17.8513 -17.8513 -17.7820 -17.7820 -17.7736 -17.7736 2.1246 2.1246 3.0838 3.0838 3.9118 3.9118 4.1597 4.1597 6.2576 6.2576 8.3643 8.3643 8.4505 8.4505 9.0394 9.0394 9.2954 9.2954 9.6050 9.6050 9.7271 9.7271 10.1474 10.1474 11.2063 11.2063 11.4463 11.4463 13.6799 13.6799 13.7120 13.7120 13.8541 13.8541 14.0972 14.0972 k = 0.3417 0.3417 0.2254 ( 4268 PWs) bands (ev): -42.2049 -42.2049 -42.2046 -42.2046 -19.8874 -19.8874 -19.8823 -19.8823 -17.8510 -17.8510 -17.8492 -17.8492 -17.7822 -17.7822 -17.7731 -17.7731 2.0230 2.0230 3.0276 3.0276 3.9158 3.9158 4.2036 4.2036 6.2734 6.2734 8.3953 8.3953 8.5939 8.5939 9.0386 9.0386 9.3067 9.3067 9.6016 9.6016 9.7413 9.7413 10.1480 10.1480 11.2309 11.2309 11.4705 11.4705 13.6614 13.6614 13.7371 13.7371 13.8279 13.8279 14.1026 14.1026 k = 0.3333 0.3333 0.2254 ( 4262 PWs) bands (ev): -42.2051 -42.2051 -42.2048 -42.2048 -19.8867 -19.8867 -19.8812 -19.8812 -17.8490 -17.8490 -17.8470 -17.8470 -17.7824 -17.7824 -17.7726 -17.7726 1.9223 1.9223 2.9690 2.9690 3.9188 3.9188 4.2498 4.2498 6.2941 6.2941 8.4272 8.4272 8.7309 8.7309 9.0214 9.0214 9.3304 9.3304 9.6075 9.6075 9.7576 9.7576 10.1496 10.1496 11.2594 11.2594 11.4939 11.4939 13.6404 13.6404 13.7715 13.7715 13.8001 13.8001 14.1084 14.1084 k = 0.3250 0.3250 0.2254 ( 4270 PWs) bands (ev): -42.2055 -42.2055 -42.2051 -42.2051 -19.8859 -19.8859 -19.8800 -19.8800 -17.8468 -17.8468 -17.8448 -17.8448 -17.7826 -17.7826 -17.7720 -17.7720 1.8225 1.8225 2.9081 2.9081 3.9209 3.9209 4.2984 4.2984 6.3194 6.3194 8.4598 8.4598 8.8560 8.8560 8.9914 8.9914 9.3707 9.3707 9.6211 9.6211 9.7752 9.7752 10.1522 10.1522 11.2921 11.2921 11.5163 11.5163 13.6188 13.6188 13.7683 13.7683 13.8156 13.8156 14.1145 14.1145 k = 0.3167 0.3167 0.2254 ( 4268 PWs) bands (ev): -42.2058 -42.2058 -42.2053 -42.2053 -19.8850 -19.8850 -19.8788 -19.8788 -17.8446 -17.8446 -17.8425 -17.8425 -17.7828 -17.7828 -17.7714 -17.7714 1.7239 1.7239 2.8453 2.8453 3.9218 3.9218 4.3492 4.3492 6.3487 6.3487 8.4931 8.4931 8.9453 8.9453 8.9699 8.9699 9.4333 9.4333 9.6403 9.6403 9.7938 9.7938 10.1561 10.1561 11.3288 11.3288 11.5376 11.5376 13.5968 13.5968 13.7359 13.7359 13.8655 13.8655 14.1212 14.1212 k = 0.3083 0.3083 0.2254 ( 4258 PWs) bands (ev): -42.2060 -42.2060 -42.2054 -42.2054 -19.8842 -19.8842 -19.8776 -19.8776 -17.8424 -17.8424 -17.8401 -17.8401 -17.7830 -17.7830 -17.7708 -17.7708 1.6266 1.6266 2.7809 2.7809 3.9216 3.9216 4.4024 4.4024 6.3817 6.3817 8.5266 8.5266 8.9053 8.9053 9.0495 9.0495 9.5208 9.5208 9.6640 9.6640 9.8131 9.8131 10.1614 10.1614 11.3691 11.3691 11.5577 11.5577 13.5744 13.5744 13.7010 13.7010 13.9227 13.9227 14.1283 14.1283 k = 0.3000 0.3000 0.2254 ( 4262 PWs) bands (ev): -42.2064 -42.2064 -42.2057 -42.2057 -19.8833 -19.8833 -19.8764 -19.8764 -17.8400 -17.8400 -17.8377 -17.8377 -17.7832 -17.7832 -17.7702 -17.7702 1.5308 1.5308 2.7152 2.7152 3.9203 3.9203 4.4578 4.4578 6.4177 6.4177 8.5598 8.5598 8.8577 8.8577 9.1136 9.1136 9.6216 9.6216 9.6993 9.6993 9.8336 9.8336 10.1681 10.1681 11.4126 11.4126 11.5768 11.5768 13.5513 13.5513 13.6637 13.6637 13.9861 13.9861 14.1364 14.1364 k = 0.2917 0.2917 0.2254 ( 4262 PWs) bands (ev): -42.2066 -42.2066 -42.2060 -42.2060 -19.8824 -19.8824 -19.8751 -19.8751 -17.8377 -17.8377 -17.8352 -17.8352 -17.7834 -17.7834 -17.7696 -17.7696 1.4365 1.4365 2.6485 2.6485 3.9177 3.9177 4.5155 4.5155 6.4562 6.4562 8.5917 8.5917 8.8099 8.8099 9.1647 9.1647 9.6842 9.6842 9.7847 9.7847 9.8601 9.8601 10.1765 10.1765 11.4586 11.4586 11.5951 11.5951 13.5273 13.5273 13.6241 13.6241 14.0538 14.0538 14.1472 14.1472 k = 0.2833 0.2833 0.2254 ( 4266 PWs) bands (ev): -42.2069 -42.2069 -42.2063 -42.2063 -19.8815 -19.8815 -19.8738 -19.8738 -17.8353 -17.8353 -17.8327 -17.8327 -17.7835 -17.7835 -17.7689 -17.7689 1.3439 1.3439 2.5811 2.5811 3.9140 3.9140 4.5754 4.5754 6.4966 6.4966 8.6190 8.6190 8.7665 8.7665 9.2091 9.2091 9.7134 9.7134 9.8553 9.8553 9.9453 9.9453 10.1867 10.1867 11.5060 11.5060 11.6133 11.6133 13.5020 13.5020 13.5821 13.5821 14.1143 14.1143 14.1713 14.1713 k = 0.2750 0.2750 0.2254 ( 4254 PWs) bands (ev): -42.2071 -42.2071 -42.2065 -42.2065 -19.8806 -19.8806 -19.8724 -19.8724 -17.8328 -17.8328 -17.8301 -17.8301 -17.7837 -17.7837 -17.7683 -17.7683 1.2530 1.2530 2.5134 2.5134 3.9090 3.9090 4.6375 4.6375 6.5381 6.5381 8.6310 8.6310 8.7393 8.7393 9.2511 9.2511 9.7369 9.7369 9.8803 9.8803 10.0876 10.0876 10.1988 10.1988 11.5524 11.5524 11.6333 11.6333 13.4751 13.4751 13.5381 13.5381 14.1412 14.1412 14.2350 14.2350 k = 0.2667 0.2667 0.2254 ( 4256 PWs) bands (ev): -42.2074 -42.2074 -42.2068 -42.2068 -19.8796 -19.8796 -19.8711 -19.8711 -17.8303 -17.8303 -17.8276 -17.8276 -17.7838 -17.7838 -17.7676 -17.7676 1.1641 1.1641 2.4454 2.4454 3.9029 3.9029 4.7018 4.7018 6.5800 6.5800 8.6129 8.6129 8.7439 8.7439 9.2932 9.2932 9.7585 9.7585 9.9008 9.9008 10.2123 10.2123 10.2399 10.2399 11.5928 11.5928 11.6598 11.6598 13.4460 13.4460 13.4921 13.4921 14.1525 14.1525 14.3194 14.3194 k = 0.2583 0.2583 0.2254 ( 4256 PWs) bands (ev): -42.2077 -42.2077 -42.2070 -42.2070 -19.8787 -19.8787 -19.8698 -19.8698 -17.8278 -17.8278 -17.8250 -17.8250 -17.7839 -17.7839 -17.7669 -17.7669 1.0771 1.0771 2.3776 2.3776 3.8956 3.8956 4.7683 4.7683 6.6216 6.6216 8.5768 8.5768 8.7689 8.7689 9.3369 9.3369 9.7788 9.7788 9.9209 9.9209 10.2288 10.2288 10.3943 10.3943 11.6213 11.6213 11.6985 11.6985 13.4139 13.4139 13.4452 13.4452 14.1608 14.1608 14.4110 14.4110 k = 0.2500 0.2500 0.2254 ( 4256 PWs) bands (ev): -42.2080 -42.2080 -42.2073 -42.2073 -19.8777 -19.8777 -19.8684 -19.8684 -17.8253 -17.8253 -17.8224 -17.8224 -17.7840 -17.7840 -17.7663 -17.7663 0.9921 0.9921 2.3101 2.3101 3.8873 3.8873 4.8370 4.8370 6.6620 6.6620 8.5372 8.5372 8.8005 8.8005 9.3827 9.3827 9.7979 9.7979 9.9417 9.9417 10.2472 10.2472 10.5499 10.5499 11.6404 11.6404 11.7466 11.7466 13.3763 13.3763 13.3997 13.3997 14.1680 14.1680 14.5067 14.5067 k = 0.2417 0.2417 0.2254 ( 4260 PWs) bands (ev): -42.2083 -42.2083 -42.2076 -42.2076 -19.8768 -19.8768 -19.8670 -19.8670 -17.8227 -17.8227 -17.8198 -17.8198 -17.7841 -17.7841 -17.7656 -17.7656 0.9093 0.9093 2.2431 2.2431 3.8779 3.8779 4.9078 4.9078 6.7005 6.7005 8.4992 8.4992 8.8340 8.8340 9.4312 9.4312 9.8154 9.8154 9.9640 9.9640 10.2677 10.2677 10.7050 10.7050 11.6554 11.6554 11.7989 11.7989 13.3305 13.3305 13.3586 13.3586 14.1747 14.1747 14.6042 14.6042 k = 0.2333 0.2333 0.2254 ( 4252 PWs) bands (ev): -42.2086 -42.2086 -42.2078 -42.2078 -19.8758 -19.8758 -19.8657 -19.8657 -17.8202 -17.8202 -17.8173 -17.8173 -17.7841 -17.7841 -17.7649 -17.7649 0.8286 0.8286 2.1769 2.1769 3.8676 3.8676 4.9807 4.9807 6.7362 6.7362 8.4648 8.4648 8.8680 8.8680 9.4825 9.4825 9.8307 9.8307 9.9887 9.9887 10.2906 10.2906 10.8584 10.8584 11.6692 11.6692 11.8527 11.8527 13.2794 13.2794 13.3196 13.3196 14.1808 14.1808 14.7005 14.7005 k = 0.2250 0.2250 0.2254 ( 4256 PWs) bands (ev): -42.2089 -42.2089 -42.2081 -42.2081 -19.8749 -19.8749 -19.8643 -19.8643 -17.8177 -17.8177 -17.8147 -17.8147 -17.7841 -17.7841 -17.7642 -17.7642 0.7502 0.7502 2.1116 2.1116 3.8564 3.8564 5.0556 5.0556 6.7682 6.7682 8.4350 8.4350 8.9018 8.9018 9.5365 9.5365 9.8432 9.8432 10.0166 10.0166 10.3158 10.3158 11.0089 11.0089 11.6836 11.6836 11.9068 11.9068 13.2260 13.2260 13.2799 13.2799 14.1866 14.1866 14.7906 14.7906 k = 0.2167 0.2167 0.2254 ( 4256 PWs) bands (ev): -42.2092 -42.2092 -42.2083 -42.2083 -19.8739 -19.8739 -19.8630 -19.8630 -17.8151 -17.8151 -17.8123 -17.8123 -17.7840 -17.7840 -17.7635 -17.7635 0.6741 0.6741 2.0474 2.0474 3.8445 3.8445 5.1326 5.1326 6.7960 6.7960 8.4105 8.4105 8.9350 8.9350 9.5932 9.5932 9.8521 9.8521 10.0486 10.0486 10.3432 10.3432 11.1547 11.1547 11.7003 11.7003 11.9606 11.9606 13.1720 13.1720 13.2390 13.2390 14.1919 14.1919 14.8652 14.8652 k = 0.2083 0.2083 0.2254 ( 4252 PWs) bands (ev): -42.2095 -42.2095 -42.2085 -42.2085 -19.8729 -19.8729 -19.8617 -19.8617 -17.8126 -17.8126 -17.8098 -17.8098 -17.7839 -17.7839 -17.7628 -17.7628 0.6004 0.6004 1.9845 1.9845 3.8319 3.8319 5.2115 5.2115 6.8188 6.8188 8.3919 8.3919 8.9675 8.9675 9.6523 9.6523 9.8570 9.8570 10.0854 10.0854 10.3730 10.3730 11.2927 11.2927 11.7221 11.7221 12.0139 12.0139 13.1181 13.1181 13.1967 13.1967 14.1967 14.1967 14.9120 14.9120 k = 0.2000 0.2000 0.2254 ( 4260 PWs) bands (ev): -42.2098 -42.2098 -42.2089 -42.2089 -19.8720 -19.8720 -19.8604 -19.8604 -17.8101 -17.8101 -17.8075 -17.8075 -17.7837 -17.7837 -17.7622 -17.7622 0.5291 0.5291 1.9231 1.9231 3.8188 3.8188 5.2923 5.2923 6.8364 6.8364 8.3792 8.3792 8.9989 8.9989 9.7135 9.7135 9.8576 9.8576 10.1272 10.1272 10.4049 10.4049 11.4171 11.4171 11.7546 11.7546 12.0666 12.0666 13.0653 13.0653 13.1536 13.1536 14.2010 14.2010 14.9251 14.9251 k = 0.1917 0.1917 0.2254 ( 4264 PWs) bands (ev): -42.2101 -42.2101 -42.2092 -42.2092 -19.8711 -19.8711 -19.8591 -19.8591 -17.8077 -17.8077 -17.8052 -17.8052 -17.7835 -17.7835 -17.7615 -17.7615 0.4603 0.4603 1.8632 1.8632 3.8052 3.8052 5.3751 5.3751 6.8484 6.8484 8.3725 8.3725 9.0292 9.0292 9.7754 9.7754 9.8544 9.8544 10.1745 10.1745 10.4389 10.4389 11.5178 11.5178 11.8069 11.8069 12.1188 12.1188 13.0142 13.0142 13.1099 13.1099 14.2048 14.2048 14.9123 14.9123 k = 0.1833 0.1833 0.2254 ( 4264 PWs) bands (ev): -42.2104 -42.2104 -42.2094 -42.2094 -19.8702 -19.8702 -19.8578 -19.8578 -17.8053 -17.8053 -17.8031 -17.8031 -17.7831 -17.7831 -17.7608 -17.7608 0.3940 0.3940 1.8050 1.8050 3.7913 3.7913 5.4596 5.4596 6.8550 6.8550 8.3715 8.3715 9.0582 9.0582 9.8251 9.8251 9.8597 9.8597 10.2272 10.2272 10.4749 10.4749 11.5866 11.5866 11.8862 11.8862 12.1712 12.1712 12.9660 12.9660 13.0664 13.0664 14.2080 14.2080 14.8843 14.8843 k = 0.1750 0.1750 0.2254 ( 4256 PWs) bands (ev): -42.2106 -42.2106 -42.2096 -42.2096 -19.8693 -19.8693 -19.8565 -19.8565 -17.8029 -17.8029 -17.8011 -17.8011 -17.7826 -17.7826 -17.7602 -17.7602 0.3304 0.3304 1.7486 1.7486 3.7772 3.7772 5.5458 5.5458 6.8563 6.8563 8.3756 8.3756 9.0859 9.0859 9.8207 9.8207 9.9148 9.9148 10.2857 10.2857 10.5127 10.5127 11.6287 11.6287 11.9849 11.9849 12.2255 12.2255 12.9213 12.9213 13.0236 13.0236 14.2106 14.2106 14.8475 14.8475 k = 0.1667 0.1667 0.2254 ( 4270 PWs) bands (ev): -42.2109 -42.2109 -42.2100 -42.2100 -19.8684 -19.8684 -19.8553 -19.8553 -17.8006 -17.8006 -17.7993 -17.7993 -17.7821 -17.7821 -17.7596 -17.7596 0.2693 0.2693 1.6941 1.6941 3.7629 3.7629 5.6337 5.6337 6.8528 6.8528 8.3844 8.3844 9.1122 9.1122 9.8001 9.8001 9.9809 9.9809 10.3497 10.3497 10.5522 10.5522 11.6556 11.6556 12.0867 12.0867 12.2852 12.2852 12.8812 12.8812 12.9823 12.9823 14.2126 14.2126 14.8051 14.8051 k = 0.1583 0.1583 0.2254 ( 4266 PWs) bands (ev): -42.2111 -42.2111 -42.2102 -42.2102 -19.8676 -19.8676 -19.8541 -19.8541 -17.7984 -17.7984 -17.7976 -17.7976 -17.7813 -17.7813 -17.7589 -17.7589 0.2110 0.2110 1.6417 1.6417 3.7487 3.7487 5.7232 5.7232 6.8450 6.8450 8.3970 8.3970 9.1371 9.1371 9.7723 9.7723 10.0485 10.0485 10.4193 10.4193 10.5932 10.5932 11.6749 11.6749 12.1769 12.1769 12.3567 12.3567 12.8469 12.8469 12.9434 12.9434 14.2140 14.2140 14.7585 14.7585 k = 0.1500 0.1500 0.2254 ( 4266 PWs) bands (ev): -42.2114 -42.2114 -42.2104 -42.2104 -19.8667 -19.8667 -19.8530 -19.8530 -17.7967 -17.7967 -17.7958 -17.7958 -17.7804 -17.7804 -17.7583 -17.7583 0.1553 0.1553 1.5915 1.5915 3.7345 3.7345 5.8141 5.8141 6.8337 6.8337 8.4127 8.4127 9.1605 9.1605 9.7379 9.7379 10.1164 10.1164 10.4942 10.4942 10.6356 10.6356 11.6896 11.6896 12.2470 12.2470 12.4432 12.4432 12.8199 12.8199 12.9080 12.9080 14.2148 14.2148 14.7083 14.7083 k = 0.1417 0.1417 0.2254 ( 4274 PWs) bands (ev): -42.2117 -42.2117 -42.2106 -42.2106 -19.8659 -19.8659 -19.8519 -19.8519 -17.7954 -17.7954 -17.7938 -17.7938 -17.7794 -17.7794 -17.7578 -17.7578 0.1024 0.1024 1.5435 1.5435 3.7206 3.7206 5.9062 5.9062 6.8195 6.8195 8.4307 8.4307 9.1825 9.1825 9.6969 9.6969 10.1841 10.1841 10.5737 10.5737 10.6797 10.6797 11.7010 11.7010 12.2996 12.2996 12.5368 12.5368 12.8030 12.8030 12.8778 12.8778 14.2150 14.2150 14.6543 14.6543 k = 0.1333 0.1333 0.2254 ( 4282 PWs) bands (ev): -42.2120 -42.2120 -42.2109 -42.2109 -19.8652 -19.8652 -19.8508 -19.8508 -17.7944 -17.7944 -17.7918 -17.7918 -17.7783 -17.7783 -17.7572 -17.7572 0.0523 0.0523 1.4978 1.4978 3.7069 3.7069 5.9996 5.9996 6.8031 6.8031 8.4502 8.4502 9.2031 9.2031 9.6495 9.6495 10.2509 10.2509 10.6556 10.6556 10.7272 10.7272 11.7095 11.7095 12.3413 12.3413 12.6212 12.6212 12.8013 12.8013 12.8576 12.8576 14.2146 14.2146 14.5964 14.5964 k = 0.1250 0.1250 0.2254 ( 4278 PWs) bands (ev): -42.2122 -42.2122 -42.2111 -42.2111 -19.8645 -19.8645 -19.8498 -19.8498 -17.7936 -17.7936 -17.7898 -17.7898 -17.7770 -17.7770 -17.7567 -17.7567 0.0051 0.0051 1.4545 1.4545 3.6936 3.6936 6.0939 6.0939 6.7852 6.7852 8.4706 8.4706 9.2222 9.2222 9.5959 9.5959 10.3167 10.3167 10.7316 10.7316 10.7858 10.7858 11.7146 11.7146 12.3761 12.3761 12.6748 12.6748 12.8071 12.8071 12.8734 12.8734 14.2136 14.2136 14.5340 14.5340 k = 0.1167 0.1167 0.2254 ( 4266 PWs) bands (ev): -42.2123 -42.2123 -42.2111 -42.2111 -19.8637 -19.8637 -19.8488 -19.8488 -17.7929 -17.7929 -17.7880 -17.7880 -17.7757 -17.7757 -17.7562 -17.7562 -0.0393 -0.0393 1.4136 1.4136 3.6808 3.6808 6.1889 6.1889 6.7662 6.7662 8.4914 8.4914 9.2400 9.2400 9.5367 9.5367 10.3809 10.3809 10.7889 10.7889 10.8673 10.8673 11.7159 11.7159 12.4061 12.4061 12.6969 12.6969 12.8003 12.8003 12.9440 12.9440 14.2120 14.2120 14.4666 14.4666 k = 0.1083 0.1083 0.2254 ( 4262 PWs) bands (ev): -42.2125 -42.2125 -42.2113 -42.2113 -19.8631 -19.8631 -19.8479 -19.8479 -17.7924 -17.7924 -17.7862 -17.7862 -17.7743 -17.7743 -17.7557 -17.7557 -0.0807 -0.0807 1.3753 1.3753 3.6686 3.6686 6.2844 6.2844 6.7468 6.7468 8.5121 8.5121 9.2562 9.2562 9.4722 9.4722 10.4432 10.4432 10.8356 10.8356 10.9630 10.9630 11.7131 11.7131 12.4323 12.4323 12.7080 12.7080 12.7945 12.7945 13.0347 13.0347 14.2098 14.2098 14.3936 14.3936 k = 0.1000 0.1000 0.2254 ( 4266 PWs) bands (ev): -42.2127 -42.2127 -42.2114 -42.2114 -19.8625 -19.8625 -19.8471 -19.8471 -17.7920 -17.7920 -17.7845 -17.7845 -17.7730 -17.7730 -17.7553 -17.7553 -0.1192 -0.1192 1.3396 1.3396 3.6569 3.6569 6.3801 6.3801 6.7273 6.7273 8.5322 8.5322 9.2705 9.2705 9.4037 9.4037 10.5035 10.5035 10.8786 10.8786 11.0649 11.0649 11.7057 11.7057 12.4557 12.4557 12.7188 12.7188 12.7944 12.7944 13.1295 13.1295 14.2067 14.2067 14.3151 14.3151 k = 0.0917 0.0917 0.2254 ( 4270 PWs) bands (ev): -42.2128 -42.2128 -42.2117 -42.2117 -19.8619 -19.8619 -19.8463 -19.8463 -17.7917 -17.7917 -17.7830 -17.7830 -17.7717 -17.7717 -17.7549 -17.7549 -0.1548 -0.1548 1.3065 1.3065 3.6460 3.6460 6.4755 6.4755 6.7082 6.7082 8.5514 8.5514 9.2802 9.2802 9.3346 9.3346 10.5613 10.5613 10.9196 10.9196 11.1703 11.1703 11.6939 11.6939 12.4767 12.4767 12.7322 12.7322 12.8006 12.8006 13.2238 13.2238 14.1983 14.1983 14.2356 14.2356 k = 0.0833 0.0833 0.2254 ( 4266 PWs) bands (ev): -42.2129 -42.2129 -42.2118 -42.2118 -19.8614 -19.8614 -19.8455 -19.8455 -17.7914 -17.7914 -17.7815 -17.7815 -17.7705 -17.7705 -17.7545 -17.7545 -0.1873 -0.1873 1.2762 1.2762 3.6358 3.6358 6.5702 6.5702 6.6899 6.6899 8.5695 8.5695 9.2454 9.2454 9.3058 9.3058 10.6166 10.6166 10.9589 10.9589 11.2773 11.2773 11.6782 11.6782 12.4957 12.4957 12.7489 12.7489 12.8126 12.8126 13.3163 13.3163 14.1331 14.1331 14.2071 14.2071 k = 0.0750 0.0750 0.2254 ( 4270 PWs) bands (ev): -42.2131 -42.2131 -42.2120 -42.2120 -19.8609 -19.8609 -19.8449 -19.8449 -17.7912 -17.7912 -17.7802 -17.7802 -17.7693 -17.7693 -17.7541 -17.7541 -0.2168 -0.2168 1.2486 1.2486 3.6264 3.6264 6.6635 6.6635 6.6726 6.6726 8.5863 8.5863 9.1709 9.1709 9.3136 9.3136 10.6691 10.6691 10.9964 10.9964 11.3834 11.3834 11.6604 11.6604 12.5132 12.5132 12.7688 12.7688 12.8298 12.8298 13.4062 13.4062 14.0395 14.0395 14.2026 14.2026 k = 0.0667 0.0667 0.2254 ( 4274 PWs) bands (ev): -42.2133 -42.2133 -42.2121 -42.2121 -19.8604 -19.8604 -19.8443 -19.8443 -17.7910 -17.7910 -17.7790 -17.7790 -17.7682 -17.7682 -17.7538 -17.7538 -0.2433 -0.2433 1.2238 1.2238 3.6178 3.6178 6.6565 6.6565 6.7546 6.7546 8.6014 8.6014 9.0931 9.0931 9.3230 9.3230 10.7184 10.7184 11.0323 11.0323 11.4815 11.4815 11.6469 11.6469 12.5291 12.5291 12.7915 12.7915 12.8509 12.8509 13.4930 13.4930 13.9414 13.9414 14.1997 14.1997 k = 0.0583 0.0583 0.2254 ( 4274 PWs) bands (ev): -42.2134 -42.2134 -42.2122 -42.2122 -19.8600 -19.8600 -19.8437 -19.8437 -17.7909 -17.7909 -17.7780 -17.7780 -17.7673 -17.7673 -17.7535 -17.7535 -0.2667 -0.2667 1.2018 1.2018 3.6102 3.6102 6.6419 6.6419 6.8425 6.8425 8.6146 8.6146 9.0157 9.0157 9.3317 9.3317 10.7641 10.7641 11.0666 11.0666 11.5412 11.5412 11.6673 11.6673 12.5436 12.5436 12.8167 12.8167 12.8745 12.8745 13.5747 13.5747 13.8436 13.8436 14.1974 14.1974 k = 0.0500 0.0500 0.2254 ( 4278 PWs) bands (ev): -42.2135 -42.2135 -42.2123 -42.2123 -19.8597 -19.8597 -19.8433 -19.8433 -17.7908 -17.7908 -17.7770 -17.7770 -17.7664 -17.7664 -17.7533 -17.7533 -0.2870 -0.2870 1.1827 1.1827 3.6035 3.6035 6.6289 6.6289 6.9259 6.9259 8.6258 8.6258 8.9411 8.9411 9.3394 9.3394 10.8059 10.8059 11.0994 11.0994 11.5378 11.5378 11.7452 11.7452 12.5567 12.5567 12.8442 12.8442 12.8993 12.8993 13.6348 13.6348 13.7639 13.7639 14.1961 14.1961 k = 0.0417 0.0417 0.2254 ( 4278 PWs) bands (ev): -42.2137 -42.2137 -42.2123 -42.2123 -19.8594 -19.8594 -19.8429 -19.8429 -17.7907 -17.7907 -17.7762 -17.7762 -17.7657 -17.7657 -17.7531 -17.7531 -0.3043 -0.3043 1.1665 1.1665 3.5977 3.5977 6.6177 6.6177 7.0031 7.0031 8.6344 8.6344 8.8716 8.8716 9.3459 9.3459 10.8431 10.8431 11.1308 11.1308 11.5125 11.5125 11.8379 11.8379 12.5684 12.5684 12.8742 12.8742 12.9237 12.9237 13.5966 13.5966 13.7802 13.7802 14.1962 14.1962 k = 0.0333 0.0333 0.2254 ( 4286 PWs) bands (ev): -42.2138 -42.2138 -42.2124 -42.2124 -19.8592 -19.8592 -19.8425 -19.8425 -17.7906 -17.7906 -17.7756 -17.7756 -17.7651 -17.7651 -17.7529 -17.7529 -0.3184 -0.3184 1.1532 1.1532 3.5930 3.5930 6.6084 6.6084 7.0720 7.0720 8.6397 8.6397 8.8105 8.8105 9.3512 9.3512 10.8751 10.8751 11.1610 11.1610 11.4819 11.4819 11.9265 11.9265 12.5787 12.5787 12.9064 12.9064 12.9469 12.9469 13.5039 13.5039 13.8491 13.8491 14.1982 14.1982 k = 0.0250 0.0250 0.2254 ( 4282 PWs) bands (ev): -42.2139 -42.2139 -42.2124 -42.2124 -19.8590 -19.8590 -19.8423 -19.8423 -17.7906 -17.7906 -17.7751 -17.7751 -17.7646 -17.7646 -17.7528 -17.7528 -0.3294 -0.3294 1.1428 1.1428 3.5893 3.5893 6.6011 6.6011 7.1301 7.1301 8.6404 8.6404 8.7616 8.7616 9.3554 9.3554 10.9010 10.9010 11.1897 11.1897 11.4506 11.4506 12.0038 12.0038 12.5876 12.5876 12.9390 12.9390 12.9705 12.9705 13.4075 13.4075 13.9190 13.9190 14.2000 14.2000 k = 0.0167 0.0167 0.2254 ( 4282 PWs) bands (ev): -42.2139 -42.2139 -42.2125 -42.2125 -19.8588 -19.8588 -19.8421 -19.8421 -17.7905 -17.7905 -17.7747 -17.7747 -17.7642 -17.7642 -17.7527 -17.7527 -0.3372 -0.3372 1.1354 1.1354 3.5867 3.5867 6.5958 6.5958 7.1744 7.1744 8.6353 8.6353 8.7293 8.7293 9.3584 9.3584 10.9201 10.9201 11.2159 11.2159 11.4216 11.4216 12.0642 12.0642 12.5947 12.5947 12.9636 12.9636 13.0028 13.0028 13.3167 13.3167 13.9775 13.9775 14.1931 14.1931 k = 0.0083 0.0083 0.2254 ( 4294 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8588 -19.8588 -19.8420 -19.8420 -17.7905 -17.7905 -17.7745 -17.7745 -17.7641 -17.7641 -17.7527 -17.7527 -0.3420 -0.3420 1.1310 1.1310 3.5851 3.5851 6.5926 6.5926 7.2025 7.2025 8.6272 8.6272 8.7134 8.7134 9.3602 9.3602 10.9318 10.9318 11.2362 11.2362 11.3991 11.3991 12.1030 12.1030 12.5994 12.5994 12.9757 12.9757 13.0449 13.0449 13.2396 13.2396 14.0154 14.0154 14.1833 14.1833 k = 0.0000 0.0000 0.2254 ( 4290 PWs) bands (ev): -42.2141 -42.2141 -42.2125 -42.2125 -19.8587 -19.8587 -19.8420 -19.8420 -17.7905 -17.7905 -17.7744 -17.7744 -17.7640 -17.7640 -17.7526 -17.7526 -0.3435 -0.3435 1.1295 1.1295 3.5845 3.5845 6.5915 6.5915 7.2121 7.2121 8.6233 8.6233 8.7091 8.7091 9.3608 9.3608 10.9357 10.9357 11.2444 11.2444 11.3902 11.3902 12.1163 12.1163 12.6011 12.6011 12.9794 12.9794 13.0711 13.0711 13.2017 13.2017 14.0281 14.0281 14.1795 14.1795 k = 0.0000 0.5000-0.0000 ( 4292 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1609 2.1609 2.1609 2.1609 3.4027 3.4027 3.4027 3.4027 7.0363 7.0363 7.0363 7.0363 9.9434 9.9434 9.9434 9.9434 10.4662 10.4662 10.4662 10.4662 11.3468 11.3468 11.3468 11.3468 11.4259 11.4259 11.4259 11.4259 12.7993 12.7993 12.7993 12.7993 14.1269 14.1269 14.1269 14.1269 k = 0.0000 0.5000 0.0113 ( 4298 PWs) bands (ev): -42.2080 -42.2080 -42.2080 -42.2080 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1613 2.1613 2.1613 2.1613 3.4017 3.4017 3.4017 3.4017 7.0391 7.0391 7.0391 7.0391 9.9428 9.9428 9.9428 9.9428 10.4579 10.4579 10.4579 10.4579 11.3485 11.3485 11.3485 11.3485 11.4277 11.4277 11.4277 11.4277 12.8048 12.8048 12.8048 12.8048 14.1273 14.1273 14.1273 14.1273 k = 0.0000 0.5000 0.0225 ( 4292 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1625 2.1625 2.1625 2.1625 3.3985 3.3985 3.3985 3.3985 7.0473 7.0473 7.0473 7.0473 9.9411 9.9411 9.9411 9.9411 10.4338 10.4338 10.4338 10.4338 11.3535 11.3535 11.3535 11.3535 11.4329 11.4329 11.4329 11.4329 12.8214 12.8214 12.8214 12.8214 14.1285 14.1285 14.1285 14.1285 k = 0.0000 0.5000 0.0338 ( 4296 PWs) bands (ev): -42.2080 -42.2080 -42.2080 -42.2080 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1646 2.1646 2.1646 2.1646 3.3933 3.3933 3.3933 3.3933 7.0610 7.0610 7.0610 7.0610 9.9381 9.9381 9.9381 9.9381 10.3954 10.3954 10.3954 10.3954 11.3608 11.3608 11.3608 11.3608 11.4411 11.4411 11.4411 11.4411 12.8485 12.8485 12.8485 12.8485 14.1304 14.1304 14.1304 14.1304 k = 0.0000 0.5000 0.0451 ( 4284 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1674 2.1674 2.1674 2.1674 3.3863 3.3863 3.3863 3.3863 7.0798 7.0798 7.0798 7.0798 9.9337 9.9337 9.9337 9.9337 10.3453 10.3453 10.3453 10.3453 11.3697 11.3697 11.3697 11.3697 11.4517 11.4517 11.4517 11.4517 12.8850 12.8850 12.8850 12.8850 14.1333 14.1333 14.1333 14.1333 k = 0.0000 0.5000 0.0563 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8453 -17.8453 -17.8453 -17.8453 -17.7546 -17.7546 -17.7546 -17.7546 2.1709 2.1709 2.1709 2.1709 3.3775 3.3775 3.3775 3.3775 7.1036 7.1036 7.1036 7.1036 9.9279 9.9279 9.9279 9.9279 10.2861 10.2861 10.2861 10.2861 11.3794 11.3794 11.3794 11.3794 11.4640 11.4640 11.4640 11.4640 12.9298 12.9298 12.9298 12.9298 14.1371 14.1371 14.1371 14.1371 k = 0.0000 0.5000 0.0676 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.1751 2.1751 2.1751 2.1751 3.3672 3.3672 3.3672 3.3672 7.1320 7.1320 7.1320 7.1320 9.9200 9.9200 9.9200 9.9200 10.2207 10.2207 10.2207 10.2207 11.3894 11.3894 11.3894 11.3894 11.4770 11.4770 11.4770 11.4770 12.9815 12.9815 12.9815 12.9815 14.1418 14.1418 14.1418 14.1418 k = 0.0000 0.5000 0.0789 ( 4276 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.1799 2.1799 2.1799 2.1799 3.3557 3.3557 3.3557 3.3557 7.1645 7.1645 7.1645 7.1645 9.9091 9.9091 9.9091 9.9091 10.1526 10.1526 10.1526 10.1526 11.3996 11.3996 11.3996 11.3996 11.4903 11.4903 11.4903 11.4903 13.0385 13.0385 13.0385 13.0385 14.1477 14.1477 14.1477 14.1477 k = 0.0000 0.5000 0.0902 ( 4274 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.1851 2.1851 2.1851 2.1851 3.3432 3.3432 3.3432 3.3432 7.2006 7.2006 7.2006 7.2006 9.8926 9.8926 9.8926 9.8926 10.0860 10.0860 10.0860 10.0860 11.4095 11.4095 11.4095 11.4095 11.5033 11.5033 11.5033 11.5033 13.0991 13.0991 13.0991 13.0991 14.1548 14.1548 14.1548 14.1548 k = 0.0000 0.5000 0.1014 ( 4272 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.1908 2.1908 2.1908 2.1908 3.3300 3.3300 3.3300 3.3300 7.2398 7.2398 7.2398 7.2398 9.8654 9.8654 9.8654 9.8654 10.0279 10.0279 10.0279 10.0279 11.4191 11.4191 11.4191 11.4191 11.5160 11.5160 11.5160 11.5160 13.1617 13.1617 13.1617 13.1617 14.1632 14.1632 14.1632 14.1632 k = 0.0000 0.5000 0.1127 ( 4266 PWs) bands (ev): -42.2077 -42.2077 -42.2077 -42.2077 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.1966 2.1966 2.1966 2.1966 3.3165 3.3165 3.3165 3.3165 7.2815 7.2815 7.2815 7.2815 9.8216 9.8216 9.8216 9.8216 9.9858 9.9858 9.9858 9.9858 11.4280 11.4280 11.4280 11.4280 11.5282 11.5282 11.5282 11.5282 13.2246 13.2246 13.2246 13.2246 14.1730 14.1730 14.1730 14.1730 k = 0.0000 0.5000 0.1240 ( 4272 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7546 -17.7546 -17.7546 -17.7546 2.2026 2.2026 2.2026 2.2026 3.3029 3.3029 3.3029 3.3029 7.3246 7.3246 7.3246 7.3246 9.7626 9.7626 9.7626 9.7626 9.9600 9.9600 9.9600 9.9600 11.4361 11.4361 11.4361 11.4361 11.5398 11.5398 11.5398 11.5398 13.2861 13.2861 13.2861 13.2861 14.1843 14.1843 14.1843 14.1843 k = 0.0000 0.5000 0.1352 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2085 2.2085 2.2085 2.2085 3.2896 3.2896 3.2896 3.2896 7.3685 7.3685 7.3685 7.3685 9.6961 9.6961 9.6961 9.6961 9.9442 9.9442 9.9442 9.9442 11.4432 11.4432 11.4432 11.4432 11.5510 11.5510 11.5510 11.5510 13.3447 13.3447 13.3447 13.3447 14.1972 14.1972 14.1972 14.1972 k = 0.0000 0.5000 0.1465 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2143 2.2143 2.2143 2.2143 3.2769 3.2769 3.2769 3.2769 7.4121 7.4121 7.4121 7.4121 9.6285 9.6285 9.6285 9.6285 9.9335 9.9335 9.9335 9.9335 11.4493 11.4493 11.4493 11.4493 11.5614 11.5614 11.5614 11.5614 13.3989 13.3989 13.3989 13.3989 14.2113 14.2113 14.2113 14.2113 k = 0.0000 0.5000 0.1578 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2197 2.2197 2.2197 2.2197 3.2651 3.2651 3.2651 3.2651 7.4540 7.4540 7.4540 7.4540 9.5636 9.5636 9.5636 9.5636 9.9257 9.9257 9.9257 9.9257 11.4544 11.4544 11.4544 11.4544 11.5711 11.5711 11.5711 11.5711 13.4476 13.4476 13.4476 13.4476 14.2263 14.2263 14.2263 14.2263 k = 0.0000 0.5000 0.1690 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2246 2.2246 2.2246 2.2246 3.2546 3.2546 3.2546 3.2546 7.4932 7.4932 7.4932 7.4932 9.5040 9.5040 9.5040 9.5040 9.9197 9.9197 9.9197 9.9197 11.4584 11.4584 11.4584 11.4584 11.5798 11.5798 11.5798 11.5798 13.4898 13.4898 13.4898 13.4898 14.2417 14.2417 14.2417 14.2417 k = 0.0000 0.5000 0.1803 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2288 2.2288 2.2288 2.2288 3.2456 3.2456 3.2456 3.2456 7.5281 7.5281 7.5281 7.5281 9.4518 9.4518 9.4518 9.4518 9.9151 9.9151 9.9151 9.9151 11.4616 11.4616 11.4616 11.4616 11.5873 11.5873 11.5873 11.5873 13.5248 13.5248 13.5248 13.5248 14.2565 14.2565 14.2565 14.2565 k = 0.0000 0.5000 0.1916 ( 4284 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2323 2.2323 2.2323 2.2323 3.2383 3.2383 3.2383 3.2383 7.5573 7.5573 7.5573 7.5573 9.4089 9.4089 9.4089 9.4089 9.9116 9.9116 9.9116 9.9116 11.4640 11.4640 11.4640 11.4640 11.5933 11.5933 11.5933 11.5933 13.5521 13.5521 13.5521 13.5521 14.2697 14.2697 14.2697 14.2697 k = 0.0000 0.5000 0.2028 ( 4284 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2348 2.2348 2.2348 2.2348 3.2330 3.2330 3.2330 3.2330 7.5794 7.5794 7.5794 7.5794 9.3769 9.3769 9.3769 9.3769 9.9092 9.9092 9.9092 9.9092 11.4656 11.4656 11.4656 11.4656 11.5978 11.5978 11.5978 11.5978 13.5717 13.5717 13.5717 13.5717 14.2801 14.2801 14.2801 14.2801 k = 0.0000 0.5000 0.2141 ( 4288 PWs) bands (ev): -42.2079 -42.2079 -42.2079 -42.2079 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2364 2.2364 2.2364 2.2364 3.2297 3.2297 3.2297 3.2297 7.5932 7.5932 7.5932 7.5932 9.3571 9.3571 9.3571 9.3571 9.9077 9.9077 9.9077 9.9077 11.4666 11.4666 11.4666 11.4666 11.6005 11.6005 11.6005 11.6005 13.5834 13.5834 13.5834 13.5834 14.2869 14.2869 14.2869 14.2869 k = 0.0000 0.5000 0.2254 ( 4280 PWs) bands (ev): -42.2078 -42.2078 -42.2078 -42.2078 -19.8749 -19.8749 -19.8749 -19.8749 -17.8454 -17.8454 -17.8454 -17.8454 -17.7545 -17.7545 -17.7545 -17.7545 2.2369 2.2369 2.2369 2.2369 3.2286 3.2286 3.2286 3.2286 7.5978 7.5978 7.5978 7.5978 9.3504 9.3504 9.3504 9.3504 9.9072 9.9072 9.9072 9.9072 11.4669 11.4669 11.4669 11.4669 11.6015 11.6015 11.6015 11.6015 13.5873 13.5873 13.5873 13.5873 14.2892 14.2892 14.2892 14.2892 k = 0.5000 0.5000-0.0000 ( 4252 PWs) bands (ev): -42.2022 -42.2022 -42.2022 -42.2022 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4974 3.4974 3.4974 3.4974 3.7722 3.7722 3.7722 3.7722 6.8689 6.8689 6.8689 6.8689 8.0733 8.0733 8.0733 8.0733 9.5289 9.5289 9.5289 9.5289 10.1737 10.1737 10.1737 10.1737 10.2732 10.2732 10.2732 10.2732 14.0582 14.0582 14.0582 14.0582 14.5794 14.5794 14.5794 14.5794 k = 0.5000 0.5000 0.0113 ( 4260 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4977 3.4977 3.4977 3.4977 3.7722 3.7722 3.7722 3.7722 6.8670 6.8670 6.8670 6.8670 8.0733 8.0733 8.0733 8.0733 9.5291 9.5291 9.5291 9.5291 10.1740 10.1740 10.1740 10.1740 10.2774 10.2774 10.2774 10.2774 14.0582 14.0582 14.0582 14.0582 14.5773 14.5773 14.5773 14.5773 k = 0.5000 0.5000 0.0225 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4984 3.4984 3.4984 3.4984 3.7722 3.7722 3.7722 3.7722 6.8615 6.8615 6.8615 6.8615 8.0732 8.0732 8.0732 8.0732 9.5296 9.5296 9.5296 9.5296 10.1747 10.1747 10.1747 10.1747 10.2901 10.2901 10.2901 10.2901 14.0582 14.0582 14.0582 14.0582 14.5709 14.5709 14.5709 14.5709 k = 0.5000 0.5000 0.0338 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.4997 3.4997 3.4997 3.4997 3.7722 3.7722 3.7722 3.7722 6.8524 6.8524 6.8524 6.8524 8.0731 8.0731 8.0731 8.0731 9.5306 9.5306 9.5306 9.5306 10.1757 10.1757 10.1757 10.1757 10.3113 10.3113 10.3113 10.3113 14.0582 14.0582 14.0582 14.0582 14.5601 14.5601 14.5601 14.5601 k = 0.5000 0.5000 0.0451 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5014 3.5014 3.5014 3.5014 3.7723 3.7723 3.7723 3.7723 6.8401 6.8401 6.8401 6.8401 8.0729 8.0729 8.0729 8.0729 9.5318 9.5318 9.5318 9.5318 10.1767 10.1767 10.1767 10.1767 10.3407 10.3407 10.3407 10.3407 14.0581 14.0581 14.0581 14.0581 14.5446 14.5446 14.5446 14.5446 k = 0.5000 0.5000 0.0563 ( 4280 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5035 3.5035 3.5035 3.5035 3.7723 3.7723 3.7723 3.7723 6.8250 6.8250 6.8250 6.8250 8.0726 8.0726 8.0726 8.0726 9.5333 9.5333 9.5333 9.5333 10.1776 10.1776 10.1776 10.1776 10.3780 10.3780 10.3780 10.3780 14.0581 14.0581 14.0581 14.0581 14.5240 14.5240 14.5240 14.5240 k = 0.5000 0.5000 0.0676 ( 4292 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5060 3.5060 3.5060 3.5060 3.7723 3.7723 3.7723 3.7723 6.8076 6.8076 6.8076 6.8076 8.0723 8.0723 8.0723 8.0723 9.5350 9.5350 9.5350 9.5350 10.1783 10.1783 10.1783 10.1783 10.4224 10.4224 10.4224 10.4224 14.0580 14.0580 14.0580 14.0580 14.4980 14.4980 14.4980 14.4980 k = 0.5000 0.5000 0.0789 ( 4268 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5089 3.5089 3.5089 3.5089 3.7723 3.7723 3.7723 3.7723 6.7883 6.7883 6.7883 6.7883 8.0719 8.0719 8.0719 8.0719 9.5369 9.5369 9.5369 9.5369 10.1790 10.1790 10.1790 10.1790 10.4732 10.4732 10.4732 10.4732 14.0580 14.0580 14.0580 14.0580 14.4664 14.4664 14.4664 14.4664 k = 0.5000 0.5000 0.0902 ( 4268 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5119 3.5119 3.5119 3.5119 3.7723 3.7723 3.7723 3.7723 6.7678 6.7678 6.7678 6.7678 8.0715 8.0715 8.0715 8.0715 9.5389 9.5389 9.5389 9.5389 10.1796 10.1796 10.1796 10.1796 10.5293 10.5293 10.5293 10.5293 14.0579 14.0579 14.0579 14.0579 14.4289 14.4289 14.4289 14.4289 k = 0.5000 0.5000 0.1014 ( 4248 PWs) bands (ev): -42.2022 -42.2022 -42.2022 -42.2022 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5152 3.5152 3.5152 3.5152 3.7723 3.7723 3.7723 3.7723 6.7465 6.7465 6.7465 6.7465 8.0710 8.0710 8.0710 8.0710 9.5409 9.5409 9.5409 9.5409 10.1802 10.1802 10.1802 10.1802 10.5897 10.5897 10.5897 10.5897 14.0577 14.0577 14.0577 14.0577 14.3855 14.3855 14.3855 14.3855 k = 0.5000 0.5000 0.1127 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5185 3.5185 3.5185 3.5185 3.7723 3.7723 3.7723 3.7723 6.7250 6.7250 6.7250 6.7250 8.0706 8.0706 8.0706 8.0706 9.5429 9.5429 9.5429 9.5429 10.1807 10.1807 10.1807 10.1807 10.6532 10.6532 10.6532 10.6532 14.0575 14.0575 14.0575 14.0575 14.3364 14.3364 14.3364 14.3364 k = 0.5000 0.5000 0.1240 ( 4264 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5219 3.5219 3.5219 3.5219 3.7723 3.7723 3.7723 3.7723 6.7039 6.7039 6.7039 6.7039 8.0700 8.0700 8.0700 8.0700 9.5449 9.5449 9.5449 9.5449 10.1811 10.1811 10.1811 10.1811 10.7184 10.7184 10.7184 10.7184 14.0572 14.0572 14.0572 14.0572 14.2828 14.2828 14.2828 14.2828 k = 0.5000 0.5000 0.1352 ( 4256 PWs) bands (ev): -42.2022 -42.2022 -42.2022 -42.2022 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5252 3.5252 3.5252 3.5252 3.7724 3.7724 3.7724 3.7724 6.6836 6.6836 6.6836 6.6836 8.0695 8.0695 8.0695 8.0695 9.5468 9.5468 9.5468 9.5468 10.1815 10.1815 10.1815 10.1815 10.7839 10.7839 10.7839 10.7839 14.0566 14.0566 14.0566 14.0566 14.2260 14.2260 14.2260 14.2260 k = 0.5000 0.5000 0.1465 ( 4268 PWs) bands (ev): -42.2023 -42.2023 -42.2023 -42.2023 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5284 3.5284 3.5284 3.5284 3.7724 3.7724 3.7724 3.7724 6.6646 6.6646 6.6646 6.6646 8.0690 8.0690 8.0690 8.0690 9.5485 9.5485 9.5485 9.5485 10.1819 10.1819 10.1819 10.1819 10.8482 10.8482 10.8482 10.8482 14.0554 14.0554 14.0554 14.0554 14.1681 14.1681 14.1681 14.1681 k = 0.5000 0.5000 0.1578 ( 4276 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5313 3.5313 3.5313 3.5313 3.7724 3.7724 3.7724 3.7724 6.6472 6.6472 6.6472 6.6472 8.0685 8.0685 8.0685 8.0685 9.5502 9.5502 9.5502 9.5502 10.1822 10.1822 10.1822 10.1822 10.9094 10.9094 10.9094 10.9094 14.0518 14.0518 14.0518 14.0518 14.1131 14.1131 14.1131 14.1131 k = 0.5000 0.5000 0.1690 ( 4276 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5339 3.5339 3.5339 3.5339 3.7724 3.7724 3.7724 3.7724 6.6319 6.6319 6.6319 6.6319 8.0681 8.0681 8.0681 8.0681 9.5516 9.5516 9.5516 9.5516 10.1825 10.1825 10.1825 10.1825 10.9658 10.9658 10.9658 10.9658 14.0345 14.0345 14.0345 14.0345 14.0747 14.0747 14.0747 14.0747 k = 0.5000 0.5000 0.1803 ( 4276 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5362 3.5362 3.5362 3.5362 3.7724 3.7724 3.7724 3.7724 6.6190 6.6190 6.6190 6.6190 8.0677 8.0677 8.0677 8.0677 9.5528 9.5528 9.5528 9.5528 10.1827 10.1827 10.1827 10.1827 11.0155 11.0155 11.0155 11.0155 13.9941 13.9941 13.9941 13.9941 14.0649 14.0649 14.0649 14.0649 k = 0.5000 0.5000 0.1916 ( 4276 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5380 3.5380 3.5380 3.5380 3.7724 3.7724 3.7724 3.7724 6.6087 6.6087 6.6087 6.6087 8.0674 8.0674 8.0674 8.0674 9.5537 9.5537 9.5537 9.5537 10.1829 10.1829 10.1829 10.1829 11.0567 11.0567 11.0567 11.0567 13.9541 13.9541 13.9541 13.9541 14.0626 14.0626 14.0626 14.0626 k = 0.5000 0.5000 0.2028 ( 4276 PWs) bands (ev): -42.2024 -42.2024 -42.2024 -42.2024 -19.8944 -19.8944 -19.8944 -19.8944 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5393 3.5393 3.5393 3.5393 3.7724 3.7724 3.7724 3.7724 6.6012 6.6012 6.6012 6.6012 8.0672 8.0672 8.0672 8.0672 9.5544 9.5544 9.5544 9.5544 10.1830 10.1830 10.1830 10.1830 11.0875 11.0875 11.0875 11.0875 13.9230 13.9230 13.9230 13.9230 14.0618 14.0618 14.0618 14.0618 k = 0.5000 0.5000 0.2141 ( 4288 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5401 3.5401 3.5401 3.5401 3.7724 3.7724 3.7724 3.7724 6.5966 6.5966 6.5966 6.5966 8.0671 8.0671 8.0671 8.0671 9.5549 9.5549 9.5549 9.5549 10.1831 10.1831 10.1831 10.1831 11.1066 11.1066 11.1066 11.1066 13.9034 13.9034 13.9034 13.9034 14.0614 14.0614 14.0614 14.0614 k = 0.5000 0.5000 0.2254 ( 4296 PWs) bands (ev): -42.2025 -42.2025 -42.2025 -42.2025 -19.8945 -19.8945 -19.8945 -19.8945 -17.8713 -17.8713 -17.8713 -17.8713 -17.7790 -17.7790 -17.7790 -17.7790 3.5404 3.5404 3.5404 3.5404 3.7724 3.7724 3.7724 3.7724 6.5951 6.5951 6.5951 6.5951 8.0670 8.0670 8.0670 8.0670 9.5550 9.5550 9.5550 9.5550 10.1831 10.1831 10.1831 10.1831 11.1130 11.1130 11.1130 11.1130 13.8967 13.8967 13.8967 13.8967 14.0613 14.0613 14.0613 14.0613 Writing output data file NbGeSb.save init_run : 0.38s CPU 0.52s WALL ( 1 calls) electrons : 132.92s CPU 135.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 132.91s CPU 135.55s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 361 calls) cegterg : 118.73s CPU 120.63s WALL ( 394 calls) Called by sum_band: Called by *egterg: h_psi : 59.65s CPU 61.07s WALL ( 6728 calls) s_psi : 6.00s CPU 5.92s WALL ( 6728 calls) g_psi : 0.20s CPU 0.22s WALL ( 5973 calls) cdiaghg : 47.71s CPU 48.30s WALL ( 6334 calls) cegterg:over : 6.09s CPU 6.25s WALL ( 5973 calls) cegterg:upda : 4.92s CPU 5.02s WALL ( 5973 calls) cegterg:last : 2.86s CPU 2.83s WALL ( 1116 calls) cdiaghg:chol : 2.75s CPU 2.75s WALL ( 6334 calls) cdiaghg:inve : 1.86s CPU 1.79s WALL ( 6334 calls) cdiaghg:para : 2.73s CPU 2.89s WALL ( 12668 calls) Called by h_psi: h_psi:vloc : 44.80s CPU 46.24s WALL ( 6728 calls) h_psi:vnl : 14.59s CPU 14.59s WALL ( 6728 calls) add_vuspsi : 7.18s CPU 7.20s WALL ( 6728 calls) General routines calbec : 7.39s CPU 7.37s WALL ( 6728 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.38s CPU 42.61s WALL ( 814500 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.28s WALL ( 722 calls) Parallel routines fft_scatter : 21.84s CPU 22.47s WALL ( 814523 calls) PWSCF : 2m31.42s CPU 2m44.31s WALL This run was terminated on: 18:36: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=