Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:16:13 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: ./FeP2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 19 6 895 602 102 Max 26 20 7 900 618 107 Sum 923 715 219 32315 21925 3763 bravais-lattice index = 14 lattice parameter (alat) = 5.1608 a.u. unit-cell volume = 520.7307 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.160842 celldm(2)= 1.825339 celldm(3)= 2.075430 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 1.825339 0.000000 ) a(3) = ( 0.000000 0.000000 2.075430 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.547844 -0.000000 ) b(3) = ( 0.000000 0.000000 0.481828 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Fe 8.00 55.84500 Fe( 1.00) P 5.00 30.97380 P( 1.00) 4 Sym. Ops., with inversion, found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0086207 -0.0000000 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0431035 -0.0000000 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0948276 -0.0000000 -0.0000000), wk = 0.0020661 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0020661 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0020661 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0020661 k( 16) = ( 0.1293103 -0.0000000 -0.0000000), wk = 0.0020661 k( 17) = ( 0.1379310 -0.0000000 -0.0000000), wk = 0.0020661 k( 18) = ( 0.1465517 -0.0000000 -0.0000000), wk = 0.0020661 k( 19) = ( 0.1551724 -0.0000000 -0.0000000), wk = 0.0020661 k( 20) = ( 0.1637931 -0.0000000 -0.0000000), wk = 0.0020661 k( 21) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0020661 k( 22) = ( 0.1810345 -0.0000000 -0.0000000), wk = 0.0020661 k( 23) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0020661 k( 24) = ( 0.1982759 -0.0000000 -0.0000000), wk = 0.0020661 k( 25) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0020661 k( 26) = ( 0.2155172 -0.0000000 -0.0000000), wk = 0.0020661 k( 27) = ( 0.2241379 -0.0000000 -0.0000000), wk = 0.0020661 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0020661 k( 29) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0020661 k( 30) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020661 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0020661 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0020661 k( 33) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0020661 k( 34) = ( 0.2844828 -0.0000000 -0.0000000), wk = 0.0020661 k( 35) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0020661 k( 36) = ( 0.3017241 -0.0000000 -0.0000000), wk = 0.0020661 k( 37) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0020661 k( 38) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0020661 k( 39) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0020661 k( 40) = ( 0.3362069 -0.0000000 -0.0000000), wk = 0.0020661 k( 41) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0020661 k( 42) = ( 0.3534483 -0.0000000 -0.0000000), wk = 0.0020661 k( 43) = ( 0.3620690 -0.0000000 -0.0000000), wk = 0.0020661 k( 44) = ( 0.3706897 -0.0000000 -0.0000000), wk = 0.0020661 k( 45) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0020661 k( 46) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0020661 k( 47) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0020661 k( 48) = ( 0.4051724 -0.0000000 -0.0000000), wk = 0.0020661 k( 49) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0020661 k( 50) = ( 0.4224138 -0.0000000 -0.0000000), wk = 0.0020661 k( 51) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0020661 k( 52) = ( 0.4396552 -0.0000000 -0.0000000), wk = 0.0020661 k( 53) = ( 0.4482759 -0.0000000 -0.0000000), wk = 0.0020661 k( 54) = ( 0.4568966 -0.0000000 -0.0000000), wk = 0.0020661 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0020661 k( 56) = ( 0.4741379 -0.0000000 -0.0000000), wk = 0.0020661 k( 57) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0020661 k( 58) = ( 0.4913793 -0.0000000 -0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.0085601 -0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.0171201 -0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.0256802 -0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.0342402 -0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.0428003 -0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.0513603 -0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.0599204 -0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.0684804 -0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.0770405 -0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.0856006 -0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.0941606 -0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.1027207 -0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.1112807 -0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.1198408 -0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.1284008 -0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.1369609 -0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.1455209 -0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.1540810 -0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.1626410 -0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.1712011 -0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.1797612 -0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.1883212 -0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.1968813 -0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.2054413 -0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.2140014 -0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.2225614 -0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.2311215 -0.0000000), wk = 0.0020661 k( 88) = ( 0.5000000 0.2396815 -0.0000000), wk = 0.0020661 k( 89) = ( 0.5000000 0.2482416 -0.0000000), wk = 0.0020661 k( 90) = ( 0.5000000 0.2568017 -0.0000000), wk = 0.0020661 k( 91) = ( 0.5000000 0.2653617 -0.0000000), wk = 0.0020661 k( 92) = ( 0.5000000 0.2739218 -0.0000000), wk = 0.0020661 k( 93) = ( 0.5000000 0.2739218 -0.0000000), wk = 0.0020661 k( 94) = ( 0.4913793 0.2739218 -0.0000000), wk = 0.0020661 k( 95) = ( 0.4827586 0.2739218 -0.0000000), wk = 0.0020661 k( 96) = ( 0.4741379 0.2739218 -0.0000000), wk = 0.0020661 k( 97) = ( 0.4655172 0.2739218 -0.0000000), wk = 0.0020661 k( 98) = ( 0.4568966 0.2739218 -0.0000000), wk = 0.0020661 k( 99) = ( 0.4482759 0.2739218 -0.0000000), wk = 0.0020661 k( 100) = ( 0.4396552 0.2739218 -0.0000000), wk = 0.0020661 k( 101) = ( 0.4310345 0.2739218 -0.0000000), wk = 0.0020661 k( 102) = ( 0.4224138 0.2739218 -0.0000000), wk = 0.0020661 k( 103) = ( 0.4137931 0.2739218 -0.0000000), wk = 0.0020661 k( 104) = ( 0.4051724 0.2739218 -0.0000000), wk = 0.0020661 k( 105) = ( 0.3965517 0.2739218 -0.0000000), wk = 0.0020661 k( 106) = ( 0.3879310 0.2739218 -0.0000000), wk = 0.0020661 k( 107) = ( 0.3793103 0.2739218 -0.0000000), wk = 0.0020661 k( 108) = ( 0.3706897 0.2739218 -0.0000000), wk = 0.0020661 k( 109) = ( 0.3620690 0.2739218 -0.0000000), wk = 0.0020661 k( 110) = ( 0.3534483 0.2739218 -0.0000000), wk = 0.0020661 k( 111) = ( 0.3448276 0.2739218 -0.0000000), wk = 0.0020661 k( 112) = ( 0.3362069 0.2739218 -0.0000000), wk = 0.0020661 k( 113) = ( 0.3275862 0.2739218 -0.0000000), wk = 0.0020661 k( 114) = ( 0.3189655 0.2739218 -0.0000000), wk = 0.0020661 k( 115) = ( 0.3103448 0.2739218 -0.0000000), wk = 0.0020661 k( 116) = ( 0.3017241 0.2739218 -0.0000000), wk = 0.0020661 k( 117) = ( 0.2931034 0.2739218 -0.0000000), wk = 0.0020661 k( 118) = ( 0.2844828 0.2739218 -0.0000000), wk = 0.0020661 k( 119) = ( 0.2758621 0.2739218 -0.0000000), wk = 0.0020661 k( 120) = ( 0.2672414 0.2739218 -0.0000000), wk = 0.0020661 k( 121) = ( 0.2586207 0.2739218 -0.0000000), wk = 0.0020661 k( 122) = ( 0.2500000 0.2739218 -0.0000000), wk = 0.0020661 k( 123) = ( 0.2413793 0.2739218 -0.0000000), wk = 0.0020661 k( 124) = ( 0.2327586 0.2739218 -0.0000000), wk = 0.0020661 k( 125) = ( 0.2241379 0.2739218 -0.0000000), wk = 0.0020661 k( 126) = ( 0.2155172 0.2739218 -0.0000000), wk = 0.0020661 k( 127) = ( 0.2068966 0.2739218 -0.0000000), wk = 0.0020661 k( 128) = ( 0.1982759 0.2739218 -0.0000000), wk = 0.0020661 k( 129) = ( 0.1896552 0.2739218 -0.0000000), wk = 0.0020661 k( 130) = ( 0.1810345 0.2739218 -0.0000000), wk = 0.0020661 k( 131) = ( 0.1724138 0.2739218 -0.0000000), wk = 0.0020661 k( 132) = ( 0.1637931 0.2739218 -0.0000000), wk = 0.0020661 k( 133) = ( 0.1551724 0.2739218 -0.0000000), wk = 0.0020661 k( 134) = ( 0.1465517 0.2739218 -0.0000000), wk = 0.0020661 k( 135) = ( 0.1379310 0.2739218 -0.0000000), wk = 0.0020661 k( 136) = ( 0.1293103 0.2739218 -0.0000000), wk = 0.0020661 k( 137) = ( 0.1206897 0.2739218 -0.0000000), wk = 0.0020661 k( 138) = ( 0.1120690 0.2739218 -0.0000000), wk = 0.0020661 k( 139) = ( 0.1034483 0.2739218 -0.0000000), wk = 0.0020661 k( 140) = ( 0.0948276 0.2739218 -0.0000000), wk = 0.0020661 k( 141) = ( 0.0862069 0.2739218 -0.0000000), wk = 0.0020661 k( 142) = ( 0.0775862 0.2739218 -0.0000000), wk = 0.0020661 k( 143) = ( 0.0689655 0.2739218 -0.0000000), wk = 0.0020661 k( 144) = ( 0.0603448 0.2739218 -0.0000000), wk = 0.0020661 k( 145) = ( 0.0517241 0.2739218 -0.0000000), wk = 0.0020661 k( 146) = ( 0.0431035 0.2739218 -0.0000000), wk = 0.0020661 k( 147) = ( 0.0344828 0.2739218 -0.0000000), wk = 0.0020661 k( 148) = ( 0.0258621 0.2739218 -0.0000000), wk = 0.0020661 k( 149) = ( 0.0172414 0.2739218 -0.0000000), wk = 0.0020661 k( 150) = ( 0.0086207 0.2739218 -0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.2739218 -0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.2739218 -0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.2653617 -0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.2568017 -0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.2482416 -0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.2396815 -0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.2311215 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.2225614 -0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.2140014 -0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.2054413 -0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.1968813 -0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.1883212 -0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.1797612 -0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.1712011 -0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.1626410 -0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.1540810 -0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.1455209 -0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.1369609 -0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.1284008 -0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.1198408 -0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.1112807 -0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.1027207 -0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.0941606 -0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.0856006 -0.0000000), wk = 0.0020661 k( 175) = ( 0.0000000 0.0770405 -0.0000000), wk = 0.0020661 k( 176) = ( 0.0000000 0.0684804 -0.0000000), wk = 0.0020661 k( 177) = ( 0.0000000 0.0599204 -0.0000000), wk = 0.0020661 k( 178) = ( 0.0000000 0.0513603 -0.0000000), wk = 0.0020661 k( 179) = ( 0.0000000 0.0428003 -0.0000000), wk = 0.0020661 k( 180) = ( 0.0000000 0.0342402 -0.0000000), wk = 0.0020661 k( 181) = ( 0.0000000 0.0256802 -0.0000000), wk = 0.0020661 k( 182) = ( 0.0000000 0.0171201 -0.0000000), wk = 0.0020661 k( 183) = ( 0.0000000 0.0085601 -0.0000000), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.0086041), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.0172081), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0258122), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0344163), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0430203), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.0516244), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.0602285), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.0688325), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.0774366), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.0860407), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.0946447), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.1032488), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.1118529), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.1204570), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.1290610), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.1376651), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.1462692), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.1548732), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.1634773), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.1720814), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.1806854), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.1892895), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.1978936), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.2064976), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.2151017), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.2237058), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.2323098), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.2409139), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.2409139), wk = 0.0020661 k( 215) = ( 0.0086207 -0.0000000 0.2409139), wk = 0.0020661 k( 216) = ( 0.0172414 -0.0000000 0.2409139), wk = 0.0020661 k( 217) = ( 0.0258621 -0.0000000 0.2409139), wk = 0.0020661 k( 218) = ( 0.0344828 -0.0000000 0.2409139), wk = 0.0020661 k( 219) = ( 0.0431035 -0.0000000 0.2409139), wk = 0.0020661 k( 220) = ( 0.0517241 -0.0000000 0.2409139), wk = 0.0020661 k( 221) = ( 0.0603448 -0.0000000 0.2409139), wk = 0.0020661 k( 222) = ( 0.0689655 -0.0000000 0.2409139), wk = 0.0020661 k( 223) = ( 0.0775862 -0.0000000 0.2409139), wk = 0.0020661 k( 224) = ( 0.0862069 -0.0000000 0.2409139), wk = 0.0020661 k( 225) = ( 0.0948276 -0.0000000 0.2409139), wk = 0.0020661 k( 226) = ( 0.1034483 -0.0000000 0.2409139), wk = 0.0020661 k( 227) = ( 0.1120690 -0.0000000 0.2409139), wk = 0.0020661 k( 228) = ( 0.1206897 -0.0000000 0.2409139), wk = 0.0020661 k( 229) = ( 0.1293103 -0.0000000 0.2409139), wk = 0.0020661 k( 230) = ( 0.1379310 -0.0000000 0.2409139), wk = 0.0020661 k( 231) = ( 0.1465517 -0.0000000 0.2409139), wk = 0.0020661 k( 232) = ( 0.1551724 -0.0000000 0.2409139), wk = 0.0020661 k( 233) = ( 0.1637931 -0.0000000 0.2409139), wk = 0.0020661 k( 234) = ( 0.1724138 -0.0000000 0.2409139), wk = 0.0020661 k( 235) = ( 0.1810345 -0.0000000 0.2409139), wk = 0.0020661 k( 236) = ( 0.1896552 -0.0000000 0.2409139), wk = 0.0020661 k( 237) = ( 0.1982759 -0.0000000 0.2409139), wk = 0.0020661 k( 238) = ( 0.2068966 -0.0000000 0.2409139), wk = 0.0020661 k( 239) = ( 0.2155172 -0.0000000 0.2409139), wk = 0.0020661 k( 240) = ( 0.2241379 -0.0000000 0.2409139), wk = 0.0020661 k( 241) = ( 0.2327586 -0.0000000 0.2409139), wk = 0.0020661 k( 242) = ( 0.2413793 -0.0000000 0.2409139), wk = 0.0020661 k( 243) = ( 0.2500000 -0.0000000 0.2409139), wk = 0.0020661 k( 244) = ( 0.2586207 -0.0000000 0.2409139), wk = 0.0020661 k( 245) = ( 0.2672414 -0.0000000 0.2409139), wk = 0.0020661 k( 246) = ( 0.2758621 -0.0000000 0.2409139), wk = 0.0020661 k( 247) = ( 0.2844828 -0.0000000 0.2409139), wk = 0.0020661 k( 248) = ( 0.2931034 -0.0000000 0.2409139), wk = 0.0020661 k( 249) = ( 0.3017241 -0.0000000 0.2409139), wk = 0.0020661 k( 250) = ( 0.3103448 -0.0000000 0.2409139), wk = 0.0020661 k( 251) = ( 0.3189655 -0.0000000 0.2409139), wk = 0.0020661 k( 252) = ( 0.3275862 -0.0000000 0.2409139), wk = 0.0020661 k( 253) = ( 0.3362069 -0.0000000 0.2409139), wk = 0.0020661 k( 254) = ( 0.3448276 -0.0000000 0.2409139), wk = 0.0020661 k( 255) = ( 0.3534483 -0.0000000 0.2409139), wk = 0.0020661 k( 256) = ( 0.3620690 -0.0000000 0.2409139), wk = 0.0020661 k( 257) = ( 0.3706897 -0.0000000 0.2409139), wk = 0.0020661 k( 258) = ( 0.3793103 -0.0000000 0.2409139), wk = 0.0020661 k( 259) = ( 0.3879310 -0.0000000 0.2409139), wk = 0.0020661 k( 260) = ( 0.3965517 -0.0000000 0.2409139), wk = 0.0020661 k( 261) = ( 0.4051724 -0.0000000 0.2409139), wk = 0.0020661 k( 262) = ( 0.4137931 -0.0000000 0.2409139), wk = 0.0020661 k( 263) = ( 0.4224138 -0.0000000 0.2409139), wk = 0.0020661 k( 264) = ( 0.4310345 -0.0000000 0.2409139), wk = 0.0020661 k( 265) = ( 0.4396552 -0.0000000 0.2409139), wk = 0.0020661 k( 266) = ( 0.4482759 -0.0000000 0.2409139), wk = 0.0020661 k( 267) = ( 0.4568966 -0.0000000 0.2409139), wk = 0.0020661 k( 268) = ( 0.4655172 -0.0000000 0.2409139), wk = 0.0020661 k( 269) = ( 0.4741379 -0.0000000 0.2409139), wk = 0.0020661 k( 270) = ( 0.4827586 -0.0000000 0.2409139), wk = 0.0020661 k( 271) = ( 0.4913793 -0.0000000 0.2409139), wk = 0.0020661 k( 272) = ( 0.5000000 -0.0000000 0.2409139), wk = 0.0020661 k( 273) = ( 0.5000000 -0.0000000 0.2409139), wk = 0.0020661 k( 274) = ( 0.5000000 0.0085601 0.2409139), wk = 0.0020661 k( 275) = ( 0.5000000 0.0171201 0.2409139), wk = 0.0020661 k( 276) = ( 0.5000000 0.0256802 0.2409139), wk = 0.0020661 k( 277) = ( 0.5000000 0.0342402 0.2409139), wk = 0.0020661 k( 278) = ( 0.5000000 0.0428003 0.2409139), wk = 0.0020661 k( 279) = ( 0.5000000 0.0513603 0.2409139), wk = 0.0020661 k( 280) = ( 0.5000000 0.0599204 0.2409139), wk = 0.0020661 k( 281) = ( 0.5000000 0.0684804 0.2409139), wk = 0.0020661 k( 282) = ( 0.5000000 0.0770405 0.2409139), wk = 0.0020661 k( 283) = ( 0.5000000 0.0856006 0.2409139), wk = 0.0020661 k( 284) = ( 0.5000000 0.0941606 0.2409139), wk = 0.0020661 k( 285) = ( 0.5000000 0.1027207 0.2409139), wk = 0.0020661 k( 286) = ( 0.5000000 0.1112807 0.2409139), wk = 0.0020661 k( 287) = ( 0.5000000 0.1198408 0.2409139), wk = 0.0020661 k( 288) = ( 0.5000000 0.1284008 0.2409139), wk = 0.0020661 k( 289) = ( 0.5000000 0.1369609 0.2409139), wk = 0.0020661 k( 290) = ( 0.5000000 0.1455209 0.2409139), wk = 0.0020661 k( 291) = ( 0.5000000 0.1540810 0.2409139), wk = 0.0020661 k( 292) = ( 0.5000000 0.1626410 0.2409139), wk = 0.0020661 k( 293) = ( 0.5000000 0.1712011 0.2409139), wk = 0.0020661 k( 294) = ( 0.5000000 0.1797612 0.2409139), wk = 0.0020661 k( 295) = ( 0.5000000 0.1883212 0.2409139), wk = 0.0020661 k( 296) = ( 0.5000000 0.1968813 0.2409139), wk = 0.0020661 k( 297) = ( 0.5000000 0.2054413 0.2409139), wk = 0.0020661 k( 298) = ( 0.5000000 0.2140014 0.2409139), wk = 0.0020661 k( 299) = ( 0.5000000 0.2225614 0.2409139), wk = 0.0020661 k( 300) = ( 0.5000000 0.2311215 0.2409139), wk = 0.0020661 k( 301) = ( 0.5000000 0.2396815 0.2409139), wk = 0.0020661 k( 302) = ( 0.5000000 0.2482416 0.2409139), wk = 0.0020661 k( 303) = ( 0.5000000 0.2568017 0.2409139), wk = 0.0020661 k( 304) = ( 0.5000000 0.2653617 0.2409139), wk = 0.0020661 k( 305) = ( 0.5000000 0.2739218 0.2409139), wk = 0.0020661 k( 306) = ( 0.5000000 0.2739218 0.2409139), wk = 0.0020661 k( 307) = ( 0.4913793 0.2739218 0.2409139), wk = 0.0020661 k( 308) = ( 0.4827586 0.2739218 0.2409139), wk = 0.0020661 k( 309) = ( 0.4741379 0.2739218 0.2409139), wk = 0.0020661 k( 310) = ( 0.4655172 0.2739218 0.2409139), wk = 0.0020661 k( 311) = ( 0.4568966 0.2739218 0.2409139), wk = 0.0020661 k( 312) = ( 0.4482759 0.2739218 0.2409139), wk = 0.0020661 k( 313) = ( 0.4396552 0.2739218 0.2409139), wk = 0.0020661 k( 314) = ( 0.4310345 0.2739218 0.2409139), wk = 0.0020661 k( 315) = ( 0.4224138 0.2739218 0.2409139), wk = 0.0020661 k( 316) = ( 0.4137931 0.2739218 0.2409139), wk = 0.0020661 k( 317) = ( 0.4051724 0.2739218 0.2409139), wk = 0.0020661 k( 318) = ( 0.3965517 0.2739218 0.2409139), wk = 0.0020661 k( 319) = ( 0.3879310 0.2739218 0.2409139), wk = 0.0020661 k( 320) = ( 0.3793103 0.2739218 0.2409139), wk = 0.0020661 k( 321) = ( 0.3706897 0.2739218 0.2409139), wk = 0.0020661 k( 322) = ( 0.3620690 0.2739218 0.2409139), wk = 0.0020661 k( 323) = ( 0.3534483 0.2739218 0.2409139), wk = 0.0020661 k( 324) = ( 0.3448276 0.2739218 0.2409139), wk = 0.0020661 k( 325) = ( 0.3362069 0.2739218 0.2409139), wk = 0.0020661 k( 326) = ( 0.3275862 0.2739218 0.2409139), wk = 0.0020661 k( 327) = ( 0.3189655 0.2739218 0.2409139), wk = 0.0020661 k( 328) = ( 0.3103448 0.2739218 0.2409139), wk = 0.0020661 k( 329) = ( 0.3017241 0.2739218 0.2409139), wk = 0.0020661 k( 330) = ( 0.2931034 0.2739218 0.2409139), wk = 0.0020661 k( 331) = ( 0.2844828 0.2739218 0.2409139), wk = 0.0020661 k( 332) = ( 0.2758621 0.2739218 0.2409139), wk = 0.0020661 k( 333) = ( 0.2672414 0.2739218 0.2409139), wk = 0.0020661 k( 334) = ( 0.2586207 0.2739218 0.2409139), wk = 0.0020661 k( 335) = ( 0.2500000 0.2739218 0.2409139), wk = 0.0020661 k( 336) = ( 0.2413793 0.2739218 0.2409139), wk = 0.0020661 k( 337) = ( 0.2327586 0.2739218 0.2409139), wk = 0.0020661 k( 338) = ( 0.2241379 0.2739218 0.2409139), wk = 0.0020661 k( 339) = ( 0.2155172 0.2739218 0.2409139), wk = 0.0020661 k( 340) = ( 0.2068966 0.2739218 0.2409139), wk = 0.0020661 k( 341) = ( 0.1982759 0.2739218 0.2409139), wk = 0.0020661 k( 342) = ( 0.1896552 0.2739218 0.2409139), wk = 0.0020661 k( 343) = ( 0.1810345 0.2739218 0.2409139), wk = 0.0020661 k( 344) = ( 0.1724138 0.2739218 0.2409139), wk = 0.0020661 k( 345) = ( 0.1637931 0.2739218 0.2409139), wk = 0.0020661 k( 346) = ( 0.1551724 0.2739218 0.2409139), wk = 0.0020661 k( 347) = ( 0.1465517 0.2739218 0.2409139), wk = 0.0020661 k( 348) = ( 0.1379310 0.2739218 0.2409139), wk = 0.0020661 k( 349) = ( 0.1293103 0.2739218 0.2409139), wk = 0.0020661 k( 350) = ( 0.1206897 0.2739218 0.2409139), wk = 0.0020661 k( 351) = ( 0.1120690 0.2739218 0.2409139), wk = 0.0020661 k( 352) = ( 0.1034483 0.2739218 0.2409139), wk = 0.0020661 k( 353) = ( 0.0948276 0.2739218 0.2409139), wk = 0.0020661 k( 354) = ( 0.0862069 0.2739218 0.2409139), wk = 0.0020661 k( 355) = ( 0.0775862 0.2739218 0.2409139), wk = 0.0020661 k( 356) = ( 0.0689655 0.2739218 0.2409139), wk = 0.0020661 k( 357) = ( 0.0603448 0.2739218 0.2409139), wk = 0.0020661 k( 358) = ( 0.0517241 0.2739218 0.2409139), wk = 0.0020661 k( 359) = ( 0.0431035 0.2739218 0.2409139), wk = 0.0020661 k( 360) = ( 0.0344828 0.2739218 0.2409139), wk = 0.0020661 k( 361) = ( 0.0258621 0.2739218 0.2409139), wk = 0.0020661 k( 362) = ( 0.0172414 0.2739218 0.2409139), wk = 0.0020661 k( 363) = ( 0.0086207 0.2739218 0.2409139), wk = 0.0020661 k( 364) = ( 0.0000000 0.2739218 0.2409139), wk = 0.0020661 k( 365) = ( 0.0000000 0.2739218 0.2409139), wk = 0.0020661 k( 366) = ( 0.0000000 0.2653617 0.2409139), wk = 0.0020661 k( 367) = ( 0.0000000 0.2568017 0.2409139), wk = 0.0020661 k( 368) = ( 0.0000000 0.2482416 0.2409139), wk = 0.0020661 k( 369) = ( 0.0000000 0.2396815 0.2409139), wk = 0.0020661 k( 370) = ( 0.0000000 0.2311215 0.2409139), wk = 0.0020661 k( 371) = ( 0.0000000 0.2225614 0.2409139), wk = 0.0020661 k( 372) = ( 0.0000000 0.2140014 0.2409139), wk = 0.0020661 k( 373) = ( 0.0000000 0.2054413 0.2409139), wk = 0.0020661 k( 374) = ( 0.0000000 0.1968813 0.2409139), wk = 0.0020661 k( 375) = ( 0.0000000 0.1883212 0.2409139), wk = 0.0020661 k( 376) = ( 0.0000000 0.1797612 0.2409139), wk = 0.0020661 k( 377) = ( 0.0000000 0.1712011 0.2409139), wk = 0.0020661 k( 378) = ( 0.0000000 0.1626410 0.2409139), wk = 0.0020661 k( 379) = ( 0.0000000 0.1540810 0.2409139), wk = 0.0020661 k( 380) = ( 0.0000000 0.1455209 0.2409139), wk = 0.0020661 k( 381) = ( 0.0000000 0.1369609 0.2409139), wk = 0.0020661 k( 382) = ( 0.0000000 0.1284008 0.2409139), wk = 0.0020661 k( 383) = ( 0.0000000 0.1198408 0.2409139), wk = 0.0020661 k( 384) = ( 0.0000000 0.1112807 0.2409139), wk = 0.0020661 k( 385) = ( 0.0000000 0.1027207 0.2409139), wk = 0.0020661 k( 386) = ( 0.0000000 0.0941606 0.2409139), wk = 0.0020661 k( 387) = ( 0.0000000 0.0856006 0.2409139), wk = 0.0020661 k( 388) = ( 0.0000000 0.0770405 0.2409139), wk = 0.0020661 k( 389) = ( 0.0000000 0.0684804 0.2409139), wk = 0.0020661 k( 390) = ( 0.0000000 0.0599204 0.2409139), wk = 0.0020661 k( 391) = ( 0.0000000 0.0513603 0.2409139), wk = 0.0020661 k( 392) = ( 0.0000000 0.0428003 0.2409139), wk = 0.0020661 k( 393) = ( 0.0000000 0.0342402 0.2409139), wk = 0.0020661 k( 394) = ( 0.0000000 0.0256802 0.2409139), wk = 0.0020661 k( 395) = ( 0.0000000 0.0171201 0.2409139), wk = 0.0020661 k( 396) = ( 0.0000000 0.0085601 0.2409139), wk = 0.0020661 k( 397) = ( 0.0000000 0.0000000 0.2409139), wk = 0.0020661 k( 398) = ( 0.0000000 0.2739218 -0.0000000), wk = 0.0020661 k( 399) = ( 0.0000000 0.2739218 0.0086041), wk = 0.0020661 k( 400) = ( 0.0000000 0.2739218 0.0172081), wk = 0.0020661 k( 401) = ( 0.0000000 0.2739218 0.0258122), wk = 0.0020661 k( 402) = ( 0.0000000 0.2739218 0.0344163), wk = 0.0020661 k( 403) = ( 0.0000000 0.2739218 0.0430203), wk = 0.0020661 k( 404) = ( 0.0000000 0.2739218 0.0516244), wk = 0.0020661 k( 405) = ( 0.0000000 0.2739218 0.0602285), wk = 0.0020661 k( 406) = ( 0.0000000 0.2739218 0.0688325), wk = 0.0020661 k( 407) = ( 0.0000000 0.2739218 0.0774366), wk = 0.0020661 k( 408) = ( 0.0000000 0.2739218 0.0860407), wk = 0.0020661 k( 409) = ( 0.0000000 0.2739218 0.0946447), wk = 0.0020661 k( 410) = ( 0.0000000 0.2739218 0.1032488), wk = 0.0020661 k( 411) = ( 0.0000000 0.2739218 0.1118529), wk = 0.0020661 k( 412) = ( 0.0000000 0.2739218 0.1204570), wk = 0.0020661 k( 413) = ( 0.0000000 0.2739218 0.1290610), wk = 0.0020661 k( 414) = ( 0.0000000 0.2739218 0.1376651), wk = 0.0020661 k( 415) = ( 0.0000000 0.2739218 0.1462692), wk = 0.0020661 k( 416) = ( 0.0000000 0.2739218 0.1548732), wk = 0.0020661 k( 417) = ( 0.0000000 0.2739218 0.1634773), wk = 0.0020661 k( 418) = ( 0.0000000 0.2739218 0.1720814), wk = 0.0020661 k( 419) = ( 0.0000000 0.2739218 0.1806854), wk = 0.0020661 k( 420) = ( 0.0000000 0.2739218 0.1892895), wk = 0.0020661 k( 421) = ( 0.0000000 0.2739218 0.1978936), wk = 0.0020661 k( 422) = ( 0.0000000 0.2739218 0.2064976), wk = 0.0020661 k( 423) = ( 0.0000000 0.2739218 0.2151017), wk = 0.0020661 k( 424) = ( 0.0000000 0.2739218 0.2237058), wk = 0.0020661 k( 425) = ( 0.0000000 0.2739218 0.2323098), wk = 0.0020661 k( 426) = ( 0.0000000 0.2739218 0.2409139), wk = 0.0020661 k( 427) = ( 0.5000000 -0.0000000 0.2409139), wk = 0.0020661 k( 428) = ( 0.5000000 -0.0000000 0.2323098), wk = 0.0020661 k( 429) = ( 0.5000000 -0.0000000 0.2237058), wk = 0.0020661 k( 430) = ( 0.5000000 -0.0000000 0.2151017), wk = 0.0020661 k( 431) = ( 0.5000000 -0.0000000 0.2064976), wk = 0.0020661 k( 432) = ( 0.5000000 -0.0000000 0.1978936), wk = 0.0020661 k( 433) = ( 0.5000000 -0.0000000 0.1892895), wk = 0.0020661 k( 434) = ( 0.5000000 -0.0000000 0.1806854), wk = 0.0020661 k( 435) = ( 0.5000000 -0.0000000 0.1720814), wk = 0.0020661 k( 436) = ( 0.5000000 -0.0000000 0.1634773), wk = 0.0020661 k( 437) = ( 0.5000000 -0.0000000 0.1548732), wk = 0.0020661 k( 438) = ( 0.5000000 -0.0000000 0.1462692), wk = 0.0020661 k( 439) = ( 0.5000000 -0.0000000 0.1376651), wk = 0.0020661 k( 440) = ( 0.5000000 -0.0000000 0.1290610), wk = 0.0020661 k( 441) = ( 0.5000000 -0.0000000 0.1204570), wk = 0.0020661 k( 442) = ( 0.5000000 -0.0000000 0.1118529), wk = 0.0020661 k( 443) = ( 0.5000000 -0.0000000 0.1032488), wk = 0.0020661 k( 444) = ( 0.5000000 -0.0000000 0.0946447), wk = 0.0020661 k( 445) = ( 0.5000000 -0.0000000 0.0860407), wk = 0.0020661 k( 446) = ( 0.5000000 -0.0000000 0.0774366), wk = 0.0020661 k( 447) = ( 0.5000000 -0.0000000 0.0688325), wk = 0.0020661 k( 448) = ( 0.5000000 -0.0000000 0.0602285), wk = 0.0020661 k( 449) = ( 0.5000000 -0.0000000 0.0516244), wk = 0.0020661 k( 450) = ( 0.5000000 -0.0000000 0.0430203), wk = 0.0020661 k( 451) = ( 0.5000000 -0.0000000 0.0344163), wk = 0.0020661 k( 452) = ( 0.5000000 -0.0000000 0.0258122), wk = 0.0020661 k( 453) = ( 0.5000000 -0.0000000 0.0172081), wk = 0.0020661 k( 454) = ( 0.5000000 -0.0000000 0.0086041), wk = 0.0020661 k( 455) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020661 k( 456) = ( 0.5000000 0.2739218 -0.0000000), wk = 0.0020661 k( 457) = ( 0.5000000 0.2739218 0.0086041), wk = 0.0020661 k( 458) = ( 0.5000000 0.2739218 0.0172081), wk = 0.0020661 k( 459) = ( 0.5000000 0.2739218 0.0258122), wk = 0.0020661 k( 460) = ( 0.5000000 0.2739218 0.0344163), wk = 0.0020661 k( 461) = ( 0.5000000 0.2739218 0.0430203), wk = 0.0020661 k( 462) = ( 0.5000000 0.2739218 0.0516244), wk = 0.0020661 k( 463) = ( 0.5000000 0.2739218 0.0602285), wk = 0.0020661 k( 464) = ( 0.5000000 0.2739218 0.0688325), wk = 0.0020661 k( 465) = ( 0.5000000 0.2739218 0.0774366), wk = 0.0020661 k( 466) = ( 0.5000000 0.2739218 0.0860407), wk = 0.0020661 k( 467) = ( 0.5000000 0.2739218 0.0946447), wk = 0.0020661 k( 468) = ( 0.5000000 0.2739218 0.1032488), wk = 0.0020661 k( 469) = ( 0.5000000 0.2739218 0.1118529), wk = 0.0020661 k( 470) = ( 0.5000000 0.2739218 0.1204570), wk = 0.0020661 k( 471) = ( 0.5000000 0.2739218 0.1290610), wk = 0.0020661 k( 472) = ( 0.5000000 0.2739218 0.1376651), wk = 0.0020661 k( 473) = ( 0.5000000 0.2739218 0.1462692), wk = 0.0020661 k( 474) = ( 0.5000000 0.2739218 0.1548732), wk = 0.0020661 k( 475) = ( 0.5000000 0.2739218 0.1634773), wk = 0.0020661 k( 476) = ( 0.5000000 0.2739218 0.1720814), wk = 0.0020661 k( 477) = ( 0.5000000 0.2739218 0.1806854), wk = 0.0020661 k( 478) = ( 0.5000000 0.2739218 0.1892895), wk = 0.0020661 k( 479) = ( 0.5000000 0.2739218 0.1978936), wk = 0.0020661 k( 480) = ( 0.5000000 0.2739218 0.2064976), wk = 0.0020661 k( 481) = ( 0.5000000 0.2739218 0.2151017), wk = 0.0020661 k( 482) = ( 0.5000000 0.2739218 0.2237058), wk = 0.0020661 k( 483) = ( 0.5000000 0.2739218 0.2323098), wk = 0.0020661 k( 484) = ( 0.5000000 0.2739218 0.2409139), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0086207 0.0000000 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0172414 0.0000000 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0258621 -0.0000000 0.0000000), wk = 0.0020661 k( 5) = ( 0.0344828 0.0000000 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0431035 0.0000000 0.0000000), wk = 0.0020661 k( 7) = ( 0.0517241 -0.0000000 0.0000000), wk = 0.0020661 k( 8) = ( 0.0603448 0.0000000 0.0000000), wk = 0.0020661 k( 9) = ( 0.0689655 0.0000000 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0775862 0.0000000 0.0000000), wk = 0.0020661 k( 11) = ( 0.0862069 0.0000000 0.0000000), wk = 0.0020661 k( 12) = ( 0.0948276 0.0000000 0.0000000), wk = 0.0020661 k( 13) = ( 0.1034483 -0.0000000 0.0000000), wk = 0.0020661 k( 14) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0020661 k( 15) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0020661 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0020661 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0020661 k( 18) = ( 0.1465517 0.0000000 0.0000000), wk = 0.0020661 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0020661 k( 20) = ( 0.1637931 0.0000000 0.0000000), wk = 0.0020661 k( 21) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0020661 k( 22) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0020661 k( 23) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0020661 k( 24) = ( 0.1982759 0.0000000 0.0000000), wk = 0.0020661 k( 25) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0020661 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0020661 k( 27) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0020661 k( 28) = ( 0.2327586 0.0000000 0.0000000), wk = 0.0020661 k( 29) = ( 0.2413793 0.0000000 0.0000000), wk = 0.0020661 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0020661 k( 31) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0020661 k( 32) = ( 0.2672414 0.0000000 0.0000000), wk = 0.0020661 k( 33) = ( 0.2758621 0.0000000 0.0000000), wk = 0.0020661 k( 34) = ( 0.2844828 -0.0000000 0.0000000), wk = 0.0020661 k( 35) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0020661 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0020661 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0020661 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0020661 k( 39) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0020661 k( 40) = ( 0.3362069 0.0000000 0.0000000), wk = 0.0020661 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0020661 k( 42) = ( 0.3534483 0.0000000 0.0000000), wk = 0.0020661 k( 43) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0020661 k( 44) = ( 0.3706897 0.0000000 0.0000000), wk = 0.0020661 k( 45) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0020661 k( 46) = ( 0.3879310 0.0000000 0.0000000), wk = 0.0020661 k( 47) = ( 0.3965517 0.0000000 0.0000000), wk = 0.0020661 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0020661 k( 49) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0020661 k( 50) = ( 0.4224138 0.0000000 0.0000000), wk = 0.0020661 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0020661 k( 52) = ( 0.4396552 0.0000000 0.0000000), wk = 0.0020661 k( 53) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0020661 k( 54) = ( 0.4568966 0.0000000 0.0000000), wk = 0.0020661 k( 55) = ( 0.4655172 0.0000000 0.0000000), wk = 0.0020661 k( 56) = ( 0.4741379 0.0000000 0.0000000), wk = 0.0020661 k( 57) = ( 0.4827586 0.0000000 0.0000000), wk = 0.0020661 k( 58) = ( 0.4913793 0.0000000 0.0000000), wk = 0.0020661 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 61) = ( 0.5000000 0.0156250 0.0000000), wk = 0.0020661 k( 62) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0020661 k( 63) = ( 0.5000000 0.0468750 0.0000000), wk = 0.0020661 k( 64) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0020661 k( 65) = ( 0.5000000 0.0781250 0.0000000), wk = 0.0020661 k( 66) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0020661 k( 67) = ( 0.5000000 0.1093750 0.0000000), wk = 0.0020661 k( 68) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0020661 k( 69) = ( 0.5000000 0.1406250 -0.0000000), wk = 0.0020661 k( 70) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0020661 k( 71) = ( 0.5000000 0.1718750 0.0000000), wk = 0.0020661 k( 72) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0020661 k( 73) = ( 0.5000000 0.2031250 0.0000000), wk = 0.0020661 k( 74) = ( 0.5000000 0.2187500 0.0000000), wk = 0.0020661 k( 75) = ( 0.5000000 0.2343750 0.0000000), wk = 0.0020661 k( 76) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0020661 k( 77) = ( 0.5000000 0.2656250 0.0000000), wk = 0.0020661 k( 78) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0020661 k( 79) = ( 0.5000000 0.2968750 0.0000000), wk = 0.0020661 k( 80) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0020661 k( 81) = ( 0.5000000 0.3281250 0.0000000), wk = 0.0020661 k( 82) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0020661 k( 83) = ( 0.5000000 0.3593750 0.0000000), wk = 0.0020661 k( 84) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0020661 k( 85) = ( 0.5000000 0.3906250 0.0000000), wk = 0.0020661 k( 86) = ( 0.5000000 0.4062500 0.0000000), wk = 0.0020661 k( 87) = ( 0.5000000 0.4218750 0.0000000), wk = 0.0020661 k( 88) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0020661 k( 89) = ( 0.5000000 0.4531250 0.0000000), wk = 0.0020661 k( 90) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0020661 k( 91) = ( 0.5000000 0.4843750 0.0000000), wk = 0.0020661 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 94) = ( 0.4913793 0.5000000 0.0000000), wk = 0.0020661 k( 95) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0020661 k( 96) = ( 0.4741379 0.5000000 0.0000000), wk = 0.0020661 k( 97) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0020661 k( 98) = ( 0.4568966 0.5000000 0.0000000), wk = 0.0020661 k( 99) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0020661 k( 100) = ( 0.4396552 0.5000000 0.0000000), wk = 0.0020661 k( 101) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0020661 k( 102) = ( 0.4224138 0.5000000 -0.0000000), wk = 0.0020661 k( 103) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0020661 k( 104) = ( 0.4051724 0.5000000 0.0000000), wk = 0.0020661 k( 105) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0020661 k( 106) = ( 0.3879310 0.5000000 0.0000000), wk = 0.0020661 k( 107) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0020661 k( 108) = ( 0.3706897 0.5000000 0.0000000), wk = 0.0020661 k( 109) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0020661 k( 110) = ( 0.3534483 0.5000000 0.0000000), wk = 0.0020661 k( 111) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0020661 k( 112) = ( 0.3362069 0.5000000 0.0000000), wk = 0.0020661 k( 113) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0020661 k( 114) = ( 0.3189655 0.5000000 0.0000000), wk = 0.0020661 k( 115) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0020661 k( 116) = ( 0.3017241 0.5000000 0.0000000), wk = 0.0020661 k( 117) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0020661 k( 118) = ( 0.2844828 0.5000000 0.0000000), wk = 0.0020661 k( 119) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0020661 k( 120) = ( 0.2672414 0.5000000 0.0000000), wk = 0.0020661 k( 121) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0020661 k( 122) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0020661 k( 123) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0020661 k( 124) = ( 0.2327586 0.5000000 0.0000000), wk = 0.0020661 k( 125) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0020661 k( 126) = ( 0.2155172 0.5000000 0.0000000), wk = 0.0020661 k( 127) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0020661 k( 128) = ( 0.1982759 0.5000000 0.0000000), wk = 0.0020661 k( 129) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0020661 k( 130) = ( 0.1810345 0.5000000 0.0000000), wk = 0.0020661 k( 131) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0020661 k( 132) = ( 0.1637931 0.5000000 0.0000000), wk = 0.0020661 k( 133) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0020661 k( 134) = ( 0.1465517 0.5000000 0.0000000), wk = 0.0020661 k( 135) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0020661 k( 136) = ( 0.1293103 0.5000000 0.0000000), wk = 0.0020661 k( 137) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0020661 k( 138) = ( 0.1120690 0.5000000 0.0000000), wk = 0.0020661 k( 139) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0020661 k( 140) = ( 0.0948276 0.5000000 0.0000000), wk = 0.0020661 k( 141) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0020661 k( 142) = ( 0.0775862 0.5000000 0.0000000), wk = 0.0020661 k( 143) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0020661 k( 144) = ( 0.0603448 0.5000000 0.0000000), wk = 0.0020661 k( 145) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0020661 k( 146) = ( 0.0431035 0.5000000 -0.0000000), wk = 0.0020661 k( 147) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0020661 k( 148) = ( 0.0258621 0.5000000 0.0000000), wk = 0.0020661 k( 149) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0020661 k( 150) = ( 0.0086207 0.5000000 0.0000000), wk = 0.0020661 k( 151) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 153) = ( 0.0000000 0.4843750 0.0000000), wk = 0.0020661 k( 154) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0020661 k( 155) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0020661 k( 156) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0020661 k( 157) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0020661 k( 158) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0020661 k( 159) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0020661 k( 160) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0020661 k( 161) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0020661 k( 162) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0020661 k( 163) = ( 0.0000000 0.3281250 0.0000000), wk = 0.0020661 k( 164) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0020661 k( 165) = ( 0.0000000 0.2968750 0.0000000), wk = 0.0020661 k( 166) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0020661 k( 167) = ( 0.0000000 0.2656250 0.0000000), wk = 0.0020661 k( 168) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020661 k( 169) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0020661 k( 170) = ( 0.0000000 0.2187500 0.0000000), wk = 0.0020661 k( 171) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0020661 k( 172) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0020661 k( 173) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0020661 k( 174) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0020661 k( 175) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0020661 k( 176) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0020661 k( 177) = ( 0.0000000 0.1093750 0.0000000), wk = 0.0020661 k( 178) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0020661 k( 179) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0020661 k( 180) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0020661 k( 181) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0020661 k( 182) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0020661 k( 183) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0020661 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 186) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0020661 k( 187) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0020661 k( 188) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0020661 k( 189) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 215) = ( 0.0086207 0.0000000 0.5000000), wk = 0.0020661 k( 216) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0020661 k( 217) = ( 0.0258621 -0.0000000 0.5000000), wk = 0.0020661 k( 218) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0020661 k( 219) = ( 0.0431035 0.0000000 0.5000000), wk = 0.0020661 k( 220) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0020661 k( 221) = ( 0.0603448 0.0000000 0.5000000), wk = 0.0020661 k( 222) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0020661 k( 223) = ( 0.0775862 0.0000000 0.5000000), wk = 0.0020661 k( 224) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0020661 k( 225) = ( 0.0948276 0.0000000 0.5000000), wk = 0.0020661 k( 226) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0020661 k( 227) = ( 0.1120690 0.0000000 0.5000000), wk = 0.0020661 k( 228) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0020661 k( 229) = ( 0.1293103 0.0000000 0.5000000), wk = 0.0020661 k( 230) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0020661 k( 231) = ( 0.1465517 0.0000000 0.5000000), wk = 0.0020661 k( 232) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0020661 k( 233) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0020661 k( 234) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0020661 k( 235) = ( 0.1810345 0.0000000 0.5000000), wk = 0.0020661 k( 236) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0020661 k( 237) = ( 0.1982759 0.0000000 0.5000000), wk = 0.0020661 k( 238) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0020661 k( 239) = ( 0.2155172 0.0000000 0.5000000), wk = 0.0020661 k( 240) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0020661 k( 241) = ( 0.2327586 0.0000000 0.5000000), wk = 0.0020661 k( 242) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0020661 k( 243) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020661 k( 244) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0020661 k( 245) = ( 0.2672414 0.0000000 0.5000000), wk = 0.0020661 k( 246) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0020661 k( 247) = ( 0.2844828 -0.0000000 0.5000000), wk = 0.0020661 k( 248) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0020661 k( 249) = ( 0.3017241 0.0000000 0.5000000), wk = 0.0020661 k( 250) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0020661 k( 251) = ( 0.3189655 0.0000000 0.5000000), wk = 0.0020661 k( 252) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0020661 k( 253) = ( 0.3362069 0.0000000 0.5000000), wk = 0.0020661 k( 254) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0020661 k( 255) = ( 0.3534483 0.0000000 0.5000000), wk = 0.0020661 k( 256) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0020661 k( 257) = ( 0.3706897 0.0000000 0.5000000), wk = 0.0020661 k( 258) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0020661 k( 259) = ( 0.3879310 0.0000000 0.5000000), wk = 0.0020661 k( 260) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0020661 k( 261) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0020661 k( 262) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0020661 k( 263) = ( 0.4224138 0.0000000 0.5000000), wk = 0.0020661 k( 264) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0020661 k( 265) = ( 0.4396552 0.0000000 0.5000000), wk = 0.0020661 k( 266) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0020661 k( 267) = ( 0.4568966 0.0000000 0.5000000), wk = 0.0020661 k( 268) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0020661 k( 269) = ( 0.4741379 0.0000000 0.5000000), wk = 0.0020661 k( 270) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0020661 k( 271) = ( 0.4913793 0.0000000 0.5000000), wk = 0.0020661 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 274) = ( 0.5000000 0.0156250 0.5000000), wk = 0.0020661 k( 275) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0020661 k( 276) = ( 0.5000000 0.0468750 0.5000000), wk = 0.0020661 k( 277) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0020661 k( 278) = ( 0.5000000 0.0781250 0.5000000), wk = 0.0020661 k( 279) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0020661 k( 280) = ( 0.5000000 0.1093750 0.5000000), wk = 0.0020661 k( 281) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0020661 k( 282) = ( 0.5000000 0.1406250 0.5000000), wk = 0.0020661 k( 283) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0020661 k( 284) = ( 0.5000000 0.1718750 0.5000000), wk = 0.0020661 k( 285) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0020661 k( 286) = ( 0.5000000 0.2031250 0.5000000), wk = 0.0020661 k( 287) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0020661 k( 288) = ( 0.5000000 0.2343750 0.5000000), wk = 0.0020661 k( 289) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0020661 k( 290) = ( 0.5000000 0.2656250 0.5000000), wk = 0.0020661 k( 291) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0020661 k( 292) = ( 0.5000000 0.2968750 0.5000000), wk = 0.0020661 k( 293) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0020661 k( 294) = ( 0.5000000 0.3281250 0.5000000), wk = 0.0020661 k( 295) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0020661 k( 296) = ( 0.5000000 0.3593750 0.5000000), wk = 0.0020661 k( 297) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0020661 k( 298) = ( 0.5000000 0.3906250 0.5000000), wk = 0.0020661 k( 299) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0020661 k( 300) = ( 0.5000000 0.4218750 0.5000000), wk = 0.0020661 k( 301) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0020661 k( 302) = ( 0.5000000 0.4531250 0.5000000), wk = 0.0020661 k( 303) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0020661 k( 304) = ( 0.5000000 0.4843750 0.5000000), wk = 0.0020661 k( 305) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 307) = ( 0.4913793 0.5000000 0.5000000), wk = 0.0020661 k( 308) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0020661 k( 309) = ( 0.4741379 0.5000000 0.5000000), wk = 0.0020661 k( 310) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0020661 k( 311) = ( 0.4568966 0.5000000 0.5000000), wk = 0.0020661 k( 312) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0020661 k( 313) = ( 0.4396552 0.5000000 0.5000000), wk = 0.0020661 k( 314) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0020661 k( 315) = ( 0.4224138 0.5000000 0.5000000), wk = 0.0020661 k( 316) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0020661 k( 317) = ( 0.4051724 0.5000000 0.5000000), wk = 0.0020661 k( 318) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0020661 k( 319) = ( 0.3879310 0.5000000 0.5000000), wk = 0.0020661 k( 320) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0020661 k( 321) = ( 0.3706897 0.5000000 0.5000000), wk = 0.0020661 k( 322) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0020661 k( 323) = ( 0.3534483 0.5000000 0.5000000), wk = 0.0020661 k( 324) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0020661 k( 325) = ( 0.3362069 0.5000000 0.5000000), wk = 0.0020661 k( 326) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0020661 k( 327) = ( 0.3189655 0.5000000 0.5000000), wk = 0.0020661 k( 328) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0020661 k( 329) = ( 0.3017241 0.5000000 0.5000000), wk = 0.0020661 k( 330) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0020661 k( 331) = ( 0.2844828 0.5000000 0.5000000), wk = 0.0020661 k( 332) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0020661 k( 333) = ( 0.2672414 0.5000000 0.5000000), wk = 0.0020661 k( 334) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0020661 k( 335) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0020661 k( 336) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0020661 k( 337) = ( 0.2327586 0.5000000 0.5000000), wk = 0.0020661 k( 338) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0020661 k( 339) = ( 0.2155172 0.5000000 0.5000000), wk = 0.0020661 k( 340) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0020661 k( 341) = ( 0.1982759 0.5000000 0.5000000), wk = 0.0020661 k( 342) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0020661 k( 343) = ( 0.1810345 0.5000000 0.5000000), wk = 0.0020661 k( 344) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0020661 k( 345) = ( 0.1637931 0.5000000 0.5000000), wk = 0.0020661 k( 346) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0020661 k( 347) = ( 0.1465517 0.5000000 0.5000000), wk = 0.0020661 k( 348) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0020661 k( 349) = ( 0.1293103 0.5000000 0.5000000), wk = 0.0020661 k( 350) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0020661 k( 351) = ( 0.1120690 0.5000000 0.5000000), wk = 0.0020661 k( 352) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0020661 k( 353) = ( 0.0948276 0.5000000 0.5000000), wk = 0.0020661 k( 354) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0020661 k( 355) = ( 0.0775862 0.5000000 0.5000000), wk = 0.0020661 k( 356) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0020661 k( 357) = ( 0.0603448 0.5000000 0.5000000), wk = 0.0020661 k( 358) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0020661 k( 359) = ( 0.0431035 0.5000000 0.5000000), wk = 0.0020661 k( 360) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0020661 k( 361) = ( 0.0258621 0.5000000 0.5000000), wk = 0.0020661 k( 362) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0020661 k( 363) = ( 0.0086207 0.5000000 0.5000000), wk = 0.0020661 k( 364) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 365) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 366) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0020661 k( 367) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0020661 k( 368) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0020661 k( 369) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0020661 k( 370) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0020661 k( 371) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0020661 k( 372) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0020661 k( 373) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0020661 k( 374) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0020661 k( 375) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0020661 k( 376) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0020661 k( 377) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0020661 k( 378) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0020661 k( 379) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0020661 k( 380) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0020661 k( 381) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020661 k( 382) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0020661 k( 383) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0020661 k( 384) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0020661 k( 385) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0020661 k( 386) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0020661 k( 387) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0020661 k( 388) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0020661 k( 389) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0020661 k( 390) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0020661 k( 391) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0020661 k( 392) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0020661 k( 393) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0020661 k( 394) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0020661 k( 395) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0020661 k( 396) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0020661 k( 397) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 398) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 399) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0020661 k( 400) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0020661 k( 401) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0020661 k( 402) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020661 k( 403) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0020661 k( 404) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0020661 k( 405) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0020661 k( 406) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020661 k( 407) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0020661 k( 408) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0020661 k( 409) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0020661 k( 410) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020661 k( 411) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0020661 k( 412) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0020661 k( 413) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0020661 k( 414) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020661 k( 415) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0020661 k( 416) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0020661 k( 417) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0020661 k( 418) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020661 k( 419) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0020661 k( 420) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0020661 k( 421) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0020661 k( 422) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020661 k( 423) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0020661 k( 424) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0020661 k( 425) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0020661 k( 426) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 427) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020661 k( 428) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0020661 k( 429) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0020661 k( 430) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0020661 k( 431) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0020661 k( 432) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0020661 k( 433) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0020661 k( 434) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020661 k( 435) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0020661 k( 436) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0020661 k( 437) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0020661 k( 438) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0020661 k( 439) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0020661 k( 440) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0020661 k( 441) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020661 k( 442) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0020661 k( 443) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0020661 k( 444) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0020661 k( 445) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0020661 k( 446) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0020661 k( 447) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0020661 k( 448) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020661 k( 449) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0020661 k( 450) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0020661 k( 451) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0020661 k( 452) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0020661 k( 453) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0020661 k( 454) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0020661 k( 455) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020661 k( 456) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 457) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0020661 k( 458) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0020661 k( 459) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0020661 k( 460) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0020661 k( 461) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0020661 k( 462) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0020661 k( 463) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0020661 k( 464) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0020661 k( 465) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0020661 k( 466) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0020661 k( 467) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0020661 k( 468) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0020661 k( 469) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0020661 k( 470) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0020661 k( 471) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0020661 k( 472) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0020661 k( 473) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0020661 k( 474) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0020661 k( 475) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0020661 k( 476) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0020661 k( 477) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0020661 k( 478) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0020661 k( 479) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0020661 k( 480) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0020661 k( 481) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0020661 k( 482) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0020661 k( 483) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0020661 k( 484) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 32315 G-vectors FFT dimensions: ( 25, 48, 54) Smooth grid: 21925 G-vectors FFT dimensions: ( 24, 45, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 156, 44) NL pseudopotentials 0.24 Mb ( 78, 204) Each V/rho on FFT grid 0.04 Mb ( 2400) Each G-vector array 0.01 Mb ( 897) G-vector shells 0.00 Mb ( 461) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 156, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.27 Mb ( 204, 2, 44) The potential is recalculated from file : ./FeP2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.2 secs Computing kpt #: 9 total cpu time spent up to now is 5.5 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.1 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.8 secs Computing kpt #: 22 total cpu time spent up to now is 10.1 secs Computing kpt #: 23 total cpu time spent up to now is 10.5 secs Computing kpt #: 24 total cpu time spent up to now is 10.8 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.6 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.0 secs Computing kpt #: 30 total cpu time spent up to now is 13.4 secs Computing kpt #: 31 total cpu time spent up to now is 13.7 secs Computing kpt #: 32 total cpu time spent up to now is 14.1 secs Computing kpt #: 33 total cpu time spent up to now is 14.5 secs Computing kpt #: 34 total cpu time spent up to now is 14.9 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.9 secs Computing kpt #: 37 total cpu time spent up to now is 16.4 secs Computing kpt #: 38 total cpu time spent up to now is 16.9 secs Computing kpt #: 39 total cpu time spent up to now is 17.3 secs Computing kpt #: 40 total cpu time spent up to now is 17.8 secs Computing kpt #: 41 total cpu time spent up to now is 18.4 secs Computing kpt #: 42 total cpu time spent up to now is 18.9 secs Computing kpt #: 43 total cpu time spent up to now is 19.4 secs Computing kpt #: 44 total cpu time spent up to now is 19.9 secs Computing kpt #: 45 total cpu time spent up to now is 20.5 secs Computing kpt #: 46 total cpu time spent up to now is 21.0 secs Computing kpt #: 47 total cpu time spent up to now is 21.6 secs Computing kpt #: 48 total cpu time spent up to now is 22.1 secs Computing kpt #: 49 total cpu time spent up to now is 22.8 secs Computing kpt #: 50 total cpu time spent up to now is 23.4 secs Computing kpt #: 51 total cpu time spent up to now is 24.0 secs Computing kpt #: 52 total cpu time spent up to now is 24.7 secs Computing kpt #: 53 total cpu time spent up to now is 25.5 secs Computing kpt #: 54 total cpu time spent up to now is 26.5 secs Computing kpt #: 55 total cpu time spent up to now is 27.2 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.2 secs Computing kpt #: 58 total cpu time spent up to now is 28.6 secs Computing kpt #: 59 total cpu time spent up to now is 28.9 secs Computing kpt #: 60 total cpu time spent up to now is 29.4 secs Computing kpt #: 61 total cpu time spent up to now is 29.8 secs Computing kpt #: 62 total cpu time spent up to now is 30.2 secs Computing kpt #: 63 total cpu time spent up to now is 30.6 secs Computing kpt #: 64 total cpu time spent up to now is 31.0 secs Computing kpt #: 65 total cpu time spent up to now is 31.4 secs Computing kpt #: 66 total cpu time spent up to now is 31.8 secs Computing kpt #: 67 total cpu time spent up to now is 32.2 secs Computing kpt #: 68 total cpu time spent up to now is 32.6 secs Computing kpt #: 69 total cpu time spent up to now is 33.0 secs Computing kpt #: 70 total cpu time spent up to now is 33.4 secs Computing kpt #: 71 total cpu time spent up to now is 33.7 secs Computing kpt #: 72 total cpu time spent up to now is 34.1 secs Computing kpt #: 73 total cpu time spent up to now is 34.5 secs Computing kpt #: 74 total cpu time spent up to now is 34.8 secs Computing kpt #: 75 total cpu time spent up to now is 35.2 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 35.8 secs Computing kpt #: 78 total cpu time spent up to now is 36.2 secs Computing kpt #: 79 total cpu time spent up to now is 36.5 secs Computing kpt #: 80 total cpu time spent up to now is 36.8 secs Computing kpt #: 81 total cpu time spent up to now is 37.1 secs Computing kpt #: 82 total cpu time spent up to now is 37.4 secs Computing kpt #: 83 total cpu time spent up to now is 37.7 secs Computing kpt #: 84 total cpu time spent up to now is 38.1 secs Computing kpt #: 85 total cpu time spent up to now is 38.5 secs Computing kpt #: 86 total cpu time spent up to now is 38.8 secs Computing kpt #: 87 total cpu time spent up to now is 39.1 secs Computing kpt #: 88 total cpu time spent up to now is 39.4 secs Computing kpt #: 89 total cpu time spent up to now is 39.7 secs Computing kpt #: 90 total cpu time spent up to now is 39.9 secs Computing kpt #: 91 total cpu time spent up to now is 40.2 secs Computing kpt #: 92 total cpu time spent up to now is 40.5 secs Computing kpt #: 93 total cpu time spent up to now is 40.8 secs Computing kpt #: 94 total cpu time spent up to now is 41.1 secs Computing kpt #: 95 total cpu time spent up to now is 41.3 secs Computing kpt #: 96 total cpu time spent up to now is 41.6 secs Computing kpt #: 97 total cpu time spent up to now is 41.9 secs Computing kpt #: 98 total cpu time spent up to now is 42.2 secs Computing kpt #: 99 total cpu time spent up to now is 42.5 secs Computing kpt #: 100 total cpu time spent up to now is 42.8 secs Computing kpt #: 101 total cpu time spent up to now is 43.1 secs Computing kpt #: 102 total cpu time spent up to now is 43.4 secs Computing kpt #: 103 total cpu time spent up to now is 43.7 secs Computing kpt #: 104 total cpu time spent up to now is 44.0 secs Computing kpt #: 105 total cpu time spent up to now is 44.3 secs Computing kpt #: 106 total cpu time spent up to now is 44.6 secs Computing kpt #: 107 total cpu time spent up to now is 44.9 secs Computing kpt #: 108 total cpu time spent up to now is 45.2 secs Computing kpt #: 109 total cpu time spent up to now is 45.6 secs Computing kpt #: 110 total cpu time spent up to now is 45.9 secs Computing kpt #: 111 total cpu time spent up to now is 46.2 secs Computing kpt #: 112 total cpu time spent up to now is 46.6 secs Computing kpt #: 113 total cpu time spent up to now is 46.9 secs Computing kpt #: 114 total cpu time spent up to now is 47.2 secs Computing kpt #: 115 total cpu time spent up to now is 47.5 secs Computing kpt #: 116 total cpu time spent up to now is 47.9 secs Computing kpt #: 117 total cpu time spent up to now is 48.2 secs Computing kpt #: 118 total cpu time spent up to now is 48.5 secs Computing kpt #: 119 total cpu time spent up to now is 48.9 secs Computing kpt #: 120 total cpu time spent up to now is 49.2 secs Computing kpt #: 121 total cpu time spent up to now is 49.5 secs Computing kpt #: 122 total cpu time spent up to now is 49.9 secs Computing kpt #: 123 total cpu time spent up to now is 50.3 secs Computing kpt #: 124 total cpu time spent up to now is 50.6 secs Computing kpt #: 125 total cpu time spent up to now is 50.9 secs Computing kpt #: 126 total cpu time spent up to now is 51.3 secs Computing kpt #: 127 total cpu time spent up to now is 51.6 secs Computing kpt #: 128 total cpu time spent up to now is 51.9 secs Computing kpt #: 129 total cpu time spent up to now is 52.3 secs Computing kpt #: 130 total cpu time spent up to now is 52.7 secs Computing kpt #: 131 total cpu time spent up to now is 53.1 secs Computing kpt #: 132 total cpu time spent up to now is 53.5 secs Computing kpt #: 133 total cpu time spent up to now is 53.9 secs Computing kpt #: 134 total cpu time spent up to now is 54.2 secs Computing kpt #: 135 total cpu time spent up to now is 54.6 secs Computing kpt #: 136 total cpu time spent up to now is 55.0 secs Computing kpt #: 137 total cpu time spent up to now is 55.3 secs Computing kpt #: 138 total cpu time spent up to now is 55.7 secs Computing kpt #: 139 total cpu time spent up to now is 56.1 secs Computing kpt #: 140 total cpu time spent up to now is 56.5 secs Computing kpt #: 141 total cpu time spent up to now is 56.9 secs Computing kpt #: 142 total cpu time spent up to now is 57.3 secs Computing kpt #: 143 total cpu time spent up to now is 57.7 secs Computing kpt #: 144 total cpu time spent up to now is 58.1 secs Computing kpt #: 145 total cpu time spent up to now is 58.5 secs Computing kpt #: 146 total cpu time spent up to now is 59.0 secs Computing kpt #: 147 total cpu time spent up to now is 59.5 secs Computing kpt #: 148 total cpu time spent up to now is 60.0 secs Computing kpt #: 149 total cpu time spent up to now is 60.5 secs Computing kpt #: 150 total cpu time spent up to now is 61.0 secs Computing kpt #: 151 total cpu time spent up to now is 61.4 secs Computing kpt #: 152 total cpu time spent up to now is 61.7 secs Computing kpt #: 153 total cpu time spent up to now is 62.1 secs Computing kpt #: 154 total cpu time spent up to now is 62.7 secs Computing kpt #: 155 total cpu time spent up to now is 63.2 secs Computing kpt #: 156 total cpu time spent up to now is 63.7 secs Computing kpt #: 157 total cpu time spent up to now is 64.2 secs Computing kpt #: 158 total cpu time spent up to now is 64.8 secs Computing kpt #: 159 total cpu time spent up to now is 65.4 secs Computing kpt #: 160 total cpu time spent up to now is 66.1 secs Computing kpt #: 161 total cpu time spent up to now is 66.7 secs Computing kpt #: 162 total cpu time spent up to now is 67.3 secs Computing kpt #: 163 total cpu time spent up to now is 67.8 secs Computing kpt #: 164 total cpu time spent up to now is 68.4 secs Computing kpt #: 165 total cpu time spent up to now is 68.8 secs Computing kpt #: 166 total cpu time spent up to now is 69.2 secs Computing kpt #: 167 total cpu time spent up to now is 69.6 secs Computing kpt #: 168 total cpu time spent up to now is 70.1 secs Computing kpt #: 169 total cpu time spent up to now is 70.5 secs Computing kpt #: 170 total cpu time spent up to now is 70.9 secs Computing kpt #: 171 total cpu time spent up to now is 71.9 secs Computing kpt #: 172 total cpu time spent up to now is 72.5 secs Computing kpt #: 173 total cpu time spent up to now is 73.2 secs Computing kpt #: 174 total cpu time spent up to now is 73.7 secs Computing kpt #: 175 total cpu time spent up to now is 74.2 secs Computing kpt #: 176 total cpu time spent up to now is 74.7 secs Computing kpt #: 177 total cpu time spent up to now is 75.1 secs Computing kpt #: 178 total cpu time spent up to now is 75.5 secs Computing kpt #: 179 total cpu time spent up to now is 75.9 secs Computing kpt #: 180 total cpu time spent up to now is 76.3 secs Computing kpt #: 181 total cpu time spent up to now is 76.7 secs Computing kpt #: 182 total cpu time spent up to now is 77.1 secs Computing kpt #: 183 total cpu time spent up to now is 77.5 secs Computing kpt #: 184 total cpu time spent up to now is 77.9 secs Computing kpt #: 185 total cpu time spent up to now is 78.3 secs Computing kpt #: 186 total cpu time spent up to now is 78.7 secs Computing kpt #: 187 total cpu time spent up to now is 79.1 secs Computing kpt #: 188 total cpu time spent up to now is 79.5 secs Computing kpt #: 189 total cpu time spent up to now is 80.0 secs Computing kpt #: 190 total cpu time spent up to now is 80.4 secs Computing kpt #: 191 total cpu time spent up to now is 80.7 secs Computing kpt #: 192 total cpu time spent up to now is 81.1 secs Computing kpt #: 193 total cpu time spent up to now is 81.5 secs Computing kpt #: 194 total cpu time spent up to now is 81.9 secs Computing kpt #: 195 total cpu time spent up to now is 82.2 secs Computing kpt #: 196 total cpu time spent up to now is 82.6 secs Computing kpt #: 197 total cpu time spent up to now is 82.9 secs Computing kpt #: 198 total cpu time spent up to now is 83.3 secs Computing kpt #: 199 total cpu time spent up to now is 83.6 secs Computing kpt #: 200 total cpu time spent up to now is 84.0 secs Computing kpt #: 201 total cpu time spent up to now is 84.4 secs Computing kpt #: 202 total cpu time spent up to now is 85.0 secs Computing kpt #: 203 total cpu time spent up to now is 85.5 secs Computing kpt #: 204 total cpu time spent up to now is 86.0 secs Computing kpt #: 205 total cpu time spent up to now is 86.7 secs Computing kpt #: 206 total cpu time spent up to now is 87.3 secs Computing kpt #: 207 total cpu time spent up to now is 87.9 secs Computing kpt #: 208 total cpu time spent up to now is 88.6 secs Computing kpt #: 209 total cpu time spent up to now is 89.3 secs Computing kpt #: 210 total cpu time spent up to now is 90.0 secs Computing kpt #: 211 total cpu time spent up to now is 90.5 secs Computing kpt #: 212 total cpu time spent up to now is 91.1 secs Computing kpt #: 213 total cpu time spent up to now is 91.5 secs Computing kpt #: 214 total cpu time spent up to now is 92.0 secs Computing kpt #: 215 total cpu time spent up to now is 92.5 secs Computing kpt #: 216 total cpu time spent up to now is 93.0 secs Computing kpt #: 217 total cpu time spent up to now is 93.5 secs Computing kpt #: 218 total cpu time spent up to now is 93.9 secs Computing kpt #: 219 total cpu time spent up to now is 94.4 secs Computing kpt #: 220 total cpu time spent up to now is 94.8 secs Computing kpt #: 221 total cpu time spent up to now is 95.2 secs Computing kpt #: 222 total cpu time spent up to now is 95.5 secs Computing kpt #: 223 total cpu time spent up to now is 95.9 secs Computing kpt #: 224 total cpu time spent up to now is 96.3 secs Computing kpt #: 225 total cpu time spent up to now is 96.6 secs Computing kpt #: 226 total cpu time spent up to now is 97.0 secs Computing kpt #: 227 total cpu time spent up to now is 97.3 secs Computing kpt #: 228 total cpu time spent up to now is 97.7 secs Computing kpt #: 229 total cpu time spent up to now is 98.0 secs Computing kpt #: 230 total cpu time spent up to now is 98.4 secs Computing kpt #: 231 total cpu time spent up to now is 98.7 secs Computing kpt #: 232 total cpu time spent up to now is 99.0 secs Computing kpt #: 233 total cpu time spent up to now is 99.4 secs Computing kpt #: 234 total cpu time spent up to now is 99.7 secs Computing kpt #: 235 total cpu time spent up to now is 100.0 secs Computing kpt #: 236 total cpu time spent up to now is 100.3 secs Computing kpt #: 237 total cpu time spent up to now is 100.7 secs Computing kpt #: 238 total cpu time spent up to now is 101.0 secs Computing kpt #: 239 total cpu time spent up to now is 101.3 secs Computing kpt #: 240 total cpu time spent up to now is 101.8 secs Computing kpt #: 241 total cpu time spent up to now is 102.3 secs Computing kpt #: 242 total cpu time spent up to now is 102.7 secs Computing kpt #: 243 total cpu time spent up to now is 103.2 secs Computing kpt #: 244 total cpu time spent up to now is 103.7 secs Computing kpt #: 245 total cpu time spent up to now is 104.1 secs Computing kpt #: 246 total cpu time spent up to now is 104.6 secs Computing kpt #: 247 total cpu time spent up to now is 105.0 secs Computing kpt #: 248 total cpu time spent up to now is 105.4 secs Computing kpt #: 249 total cpu time spent up to now is 105.8 secs Computing kpt #: 250 total cpu time spent up to now is 106.2 secs Computing kpt #: 251 total cpu time spent up to now is 106.5 secs Computing kpt #: 252 total cpu time spent up to now is 106.9 secs Computing kpt #: 253 total cpu time spent up to now is 107.2 secs Computing kpt #: 254 total cpu time spent up to now is 107.6 secs Computing kpt #: 255 total cpu time spent up to now is 108.0 secs Computing kpt #: 256 total cpu time spent up to now is 108.4 secs Computing kpt #: 257 total cpu time spent up to now is 108.7 secs Computing kpt #: 258 total cpu time spent up to now is 109.1 secs Computing kpt #: 259 total cpu time spent up to now is 109.4 secs Computing kpt #: 260 total cpu time spent up to now is 109.8 secs Computing kpt #: 261 total cpu time spent up to now is 110.2 secs Computing kpt #: 262 total cpu time spent up to now is 110.5 secs Computing kpt #: 263 total cpu time spent up to now is 110.9 secs Computing kpt #: 264 total cpu time spent up to now is 111.3 secs Computing kpt #: 265 total cpu time spent up to now is 111.6 secs Computing kpt #: 266 total cpu time spent up to now is 112.0 secs Computing kpt #: 267 total cpu time spent up to now is 112.3 secs Computing kpt #: 268 total cpu time spent up to now is 112.7 secs Computing kpt #: 269 total cpu time spent up to now is 113.1 secs Computing kpt #: 270 total cpu time spent up to now is 113.4 secs Computing kpt #: 271 total cpu time spent up to now is 113.8 secs Computing kpt #: 272 total cpu time spent up to now is 114.1 secs Computing kpt #: 273 total cpu time spent up to now is 114.5 secs Computing kpt #: 274 total cpu time spent up to now is 114.9 secs Computing kpt #: 275 total cpu time spent up to now is 115.3 secs Computing kpt #: 276 total cpu time spent up to now is 115.6 secs Computing kpt #: 277 total cpu time spent up to now is 116.0 secs Computing kpt #: 278 total cpu time spent up to now is 116.4 secs Computing kpt #: 279 total cpu time spent up to now is 116.8 secs Computing kpt #: 280 total cpu time spent up to now is 117.1 secs Computing kpt #: 281 total cpu time spent up to now is 117.4 secs Computing kpt #: 282 total cpu time spent up to now is 117.8 secs Computing kpt #: 283 total cpu time spent up to now is 118.1 secs Computing kpt #: 284 total cpu time spent up to now is 118.5 secs Computing kpt #: 285 total cpu time spent up to now is 118.9 secs Computing kpt #: 286 total cpu time spent up to now is 119.3 secs Computing kpt #: 287 total cpu time spent up to now is 119.7 secs Computing kpt #: 288 total cpu time spent up to now is 120.0 secs Computing kpt #: 289 total cpu time spent up to now is 120.4 secs Computing kpt #: 290 total cpu time spent up to now is 120.7 secs Computing kpt #: 291 total cpu time spent up to now is 121.0 secs Computing kpt #: 292 total cpu time spent up to now is 121.4 secs Computing kpt #: 293 total cpu time spent up to now is 121.7 secs Computing kpt #: 294 total cpu time spent up to now is 122.1 secs Computing kpt #: 295 total cpu time spent up to now is 122.4 secs Computing kpt #: 296 total cpu time spent up to now is 122.7 secs Computing kpt #: 297 total cpu time spent up to now is 123.1 secs Computing kpt #: 298 total cpu time spent up to now is 123.4 secs Computing kpt #: 299 total cpu time spent up to now is 123.7 secs Computing kpt #: 300 total cpu time spent up to now is 124.1 secs Computing kpt #: 301 total cpu time spent up to now is 124.4 secs Computing kpt #: 302 total cpu time spent up to now is 124.7 secs Computing kpt #: 303 total cpu time spent up to now is 125.0 secs Computing kpt #: 304 total cpu time spent up to now is 125.4 secs Computing kpt #: 305 total cpu time spent up to now is 125.7 secs Computing kpt #: 306 total cpu time spent up to now is 126.0 secs Computing kpt #: 307 total cpu time spent up to now is 126.3 secs Computing kpt #: 308 total cpu time spent up to now is 126.7 secs Computing kpt #: 309 total cpu time spent up to now is 127.0 secs Computing kpt #: 310 total cpu time spent up to now is 127.3 secs Computing kpt #: 311 total cpu time spent up to now is 127.6 secs Computing kpt #: 312 total cpu time spent up to now is 127.9 secs Computing kpt #: 313 total cpu time spent up to now is 128.2 secs Computing kpt #: 314 total cpu time spent up to now is 128.6 secs Computing kpt #: 315 total cpu time spent up to now is 128.9 secs Computing kpt #: 316 total cpu time spent up to now is 129.2 secs Computing kpt #: 317 total cpu time spent up to now is 129.5 secs Computing kpt #: 318 total cpu time spent up to now is 129.9 secs Computing kpt #: 319 total cpu time spent up to now is 130.2 secs Computing kpt #: 320 total cpu time spent up to now is 130.5 secs Computing kpt #: 321 total cpu time spent up to now is 130.9 secs Computing kpt #: 322 total cpu time spent up to now is 131.2 secs Computing kpt #: 323 total cpu time spent up to now is 131.5 secs Computing kpt #: 324 total cpu time spent up to now is 131.9 secs Computing kpt #: 325 total cpu time spent up to now is 132.2 secs Computing kpt #: 326 total cpu time spent up to now is 132.6 secs Computing kpt #: 327 total cpu time spent up to now is 132.9 secs Computing kpt #: 328 total cpu time spent up to now is 133.2 secs Computing kpt #: 329 total cpu time spent up to now is 133.6 secs Computing kpt #: 330 total cpu time spent up to now is 133.9 secs Computing kpt #: 331 total cpu time spent up to now is 134.2 secs Computing kpt #: 332 total cpu time spent up to now is 134.6 secs Computing kpt #: 333 total cpu time spent up to now is 134.9 secs Computing kpt #: 334 total cpu time spent up to now is 135.3 secs Computing kpt #: 335 total cpu time spent up to now is 135.7 secs Computing kpt #: 336 total cpu time spent up to now is 136.1 secs Computing kpt #: 337 total cpu time spent up to now is 136.5 secs Computing kpt #: 338 total cpu time spent up to now is 136.9 secs Computing kpt #: 339 total cpu time spent up to now is 137.4 secs Computing kpt #: 340 total cpu time spent up to now is 137.8 secs Computing kpt #: 341 total cpu time spent up to now is 138.3 secs Computing kpt #: 342 total cpu time spent up to now is 138.8 secs Computing kpt #: 343 total cpu time spent up to now is 139.2 secs Computing kpt #: 344 total cpu time spent up to now is 139.6 secs Computing kpt #: 345 total cpu time spent up to now is 139.9 secs Computing kpt #: 346 total cpu time spent up to now is 140.3 secs Computing kpt #: 347 total cpu time spent up to now is 140.6 secs Computing kpt #: 348 total cpu time spent up to now is 140.9 secs Computing kpt #: 349 total cpu time spent up to now is 141.2 secs Computing kpt #: 350 total cpu time spent up to now is 141.6 secs Computing kpt #: 351 total cpu time spent up to now is 141.9 secs Computing kpt #: 352 total cpu time spent up to now is 142.2 secs Computing kpt #: 353 total cpu time spent up to now is 142.5 secs Computing kpt #: 354 total cpu time spent up to now is 142.9 secs Computing kpt #: 355 total cpu time spent up to now is 143.2 secs Computing kpt #: 356 total cpu time spent up to now is 143.5 secs Computing kpt #: 357 total cpu time spent up to now is 143.9 secs Computing kpt #: 358 total cpu time spent up to now is 144.2 secs Computing kpt #: 359 total cpu time spent up to now is 144.5 secs Computing kpt #: 360 total cpu time spent up to now is 144.9 secs Computing kpt #: 361 total cpu time spent up to now is 145.2 secs Computing kpt #: 362 total cpu time spent up to now is 145.5 secs Computing kpt #: 363 total cpu time spent up to now is 145.9 secs Computing kpt #: 364 total cpu time spent up to now is 146.2 secs Computing kpt #: 365 total cpu time spent up to now is 146.5 secs Computing kpt #: 366 total cpu time spent up to now is 146.8 secs Computing kpt #: 367 total cpu time spent up to now is 147.2 secs Computing kpt #: 368 total cpu time spent up to now is 147.5 secs Computing kpt #: 369 total cpu time spent up to now is 147.8 secs Computing kpt #: 370 total cpu time spent up to now is 148.2 secs Computing kpt #: 371 total cpu time spent up to now is 148.5 secs Computing kpt #: 372 total cpu time spent up to now is 148.8 secs Computing kpt #: 373 total cpu time spent up to now is 149.1 secs Computing kpt #: 374 total cpu time spent up to now is 149.4 secs Computing kpt #: 375 total cpu time spent up to now is 149.8 secs Computing kpt #: 376 total cpu time spent up to now is 150.1 secs Computing kpt #: 377 total cpu time spent up to now is 150.4 secs Computing kpt #: 378 total cpu time spent up to now is 150.7 secs Computing kpt #: 379 total cpu time spent up to now is 151.0 secs Computing kpt #: 380 total cpu time spent up to now is 151.4 secs Computing kpt #: 381 total cpu time spent up to now is 151.7 secs Computing kpt #: 382 total cpu time spent up to now is 152.0 secs Computing kpt #: 383 total cpu time spent up to now is 152.3 secs Computing kpt #: 384 total cpu time spent up to now is 152.6 secs Computing kpt #: 385 total cpu time spent up to now is 153.0 secs Computing kpt #: 386 total cpu time spent up to now is 153.3 secs Computing kpt #: 387 total cpu time spent up to now is 153.6 secs Computing kpt #: 388 total cpu time spent up to now is 153.9 secs Computing kpt #: 389 total cpu time spent up to now is 154.3 secs Computing kpt #: 390 total cpu time spent up to now is 154.6 secs Computing kpt #: 391 total cpu time spent up to now is 155.0 secs Computing kpt #: 392 total cpu time spent up to now is 155.4 secs Computing kpt #: 393 total cpu time spent up to now is 155.8 secs Computing kpt #: 394 total cpu time spent up to now is 156.2 secs Computing kpt #: 395 total cpu time spent up to now is 156.7 secs Computing kpt #: 396 total cpu time spent up to now is 157.2 secs Computing kpt #: 397 total cpu time spent up to now is 157.7 secs Computing kpt #: 398 total cpu time spent up to now is 158.1 secs Computing kpt #: 399 total cpu time spent up to now is 158.5 secs Computing kpt #: 400 total cpu time spent up to now is 159.0 secs Computing kpt #: 401 total cpu time spent up to now is 159.4 secs Computing kpt #: 402 total cpu time spent up to now is 159.8 secs Computing kpt #: 403 total cpu time spent up to now is 160.1 secs Computing kpt #: 404 total cpu time spent up to now is 160.5 secs Computing kpt #: 405 total cpu time spent up to now is 160.8 secs Computing kpt #: 406 total cpu time spent up to now is 161.1 secs Computing kpt #: 407 total cpu time spent up to now is 161.5 secs Computing kpt #: 408 total cpu time spent up to now is 161.8 secs Computing kpt #: 409 total cpu time spent up to now is 162.1 secs Computing kpt #: 410 total cpu time spent up to now is 162.4 secs Computing kpt #: 411 total cpu time spent up to now is 162.8 secs Computing kpt #: 412 total cpu time spent up to now is 163.1 secs Computing kpt #: 413 total cpu time spent up to now is 163.4 secs Computing kpt #: 414 total cpu time spent up to now is 163.7 secs Computing kpt #: 415 total cpu time spent up to now is 164.0 secs Computing kpt #: 416 total cpu time spent up to now is 164.4 secs Computing kpt #: 417 total cpu time spent up to now is 164.7 secs Computing kpt #: 418 total cpu time spent up to now is 165.0 secs Computing kpt #: 419 total cpu time spent up to now is 165.3 secs Computing kpt #: 420 total cpu time spent up to now is 165.7 secs Computing kpt #: 421 total cpu time spent up to now is 166.0 secs Computing kpt #: 422 total cpu time spent up to now is 166.3 secs Computing kpt #: 423 total cpu time spent up to now is 166.7 secs Computing kpt #: 424 total cpu time spent up to now is 167.0 secs Computing kpt #: 425 total cpu time spent up to now is 167.3 secs Computing kpt #: 426 total cpu time spent up to now is 167.6 secs Computing kpt #: 427 total cpu time spent up to now is 168.0 secs Computing kpt #: 428 total cpu time spent up to now is 168.4 secs Computing kpt #: 429 total cpu time spent up to now is 168.7 secs Computing kpt #: 430 total cpu time spent up to now is 169.1 secs Computing kpt #: 431 total cpu time spent up to now is 169.5 secs Computing kpt #: 432 total cpu time spent up to now is 169.9 secs Computing kpt #: 433 total cpu time spent up to now is 170.3 secs Computing kpt #: 434 total cpu time spent up to now is 170.7 secs Computing kpt #: 435 total cpu time spent up to now is 171.1 secs Computing kpt #: 436 total cpu time spent up to now is 171.5 secs Computing kpt #: 437 total cpu time spent up to now is 171.8 secs Computing kpt #: 438 total cpu time spent up to now is 172.2 secs Computing kpt #: 439 total cpu time spent up to now is 172.6 secs Computing kpt #: 440 total cpu time spent up to now is 173.0 secs Computing kpt #: 441 total cpu time spent up to now is 173.4 secs Computing kpt #: 442 total cpu time spent up to now is 173.8 secs Computing kpt #: 443 total cpu time spent up to now is 174.2 secs Computing kpt #: 444 total cpu time spent up to now is 174.6 secs Computing kpt #: 445 total cpu time spent up to now is 175.1 secs Computing kpt #: 446 total cpu time spent up to now is 175.5 secs Computing kpt #: 447 total cpu time spent up to now is 175.9 secs Computing kpt #: 448 total cpu time spent up to now is 176.3 secs Computing kpt #: 449 total cpu time spent up to now is 176.8 secs Computing kpt #: 450 total cpu time spent up to now is 177.2 secs Computing kpt #: 451 total cpu time spent up to now is 177.6 secs Computing kpt #: 452 total cpu time spent up to now is 178.1 secs Computing kpt #: 453 total cpu time spent up to now is 178.5 secs Computing kpt #: 454 total cpu time spent up to now is 178.9 secs Computing kpt #: 455 total cpu time spent up to now is 179.3 secs Computing kpt #: 456 total cpu time spent up to now is 179.6 secs Computing kpt #: 457 total cpu time spent up to now is 179.9 secs Computing kpt #: 458 total cpu time spent up to now is 180.1 secs Computing kpt #: 459 total cpu time spent up to now is 180.4 secs Computing kpt #: 460 total cpu time spent up to now is 180.7 secs Computing kpt #: 461 total cpu time spent up to now is 181.0 secs Computing kpt #: 462 total cpu time spent up to now is 181.3 secs Computing kpt #: 463 total cpu time spent up to now is 181.7 secs Computing kpt #: 464 total cpu time spent up to now is 182.0 secs Computing kpt #: 465 total cpu time spent up to now is 182.3 secs Computing kpt #: 466 total cpu time spent up to now is 182.6 secs Computing kpt #: 467 total cpu time spent up to now is 182.9 secs Computing kpt #: 468 total cpu time spent up to now is 183.3 secs Computing kpt #: 469 total cpu time spent up to now is 183.6 secs Computing kpt #: 470 total cpu time spent up to now is 183.9 secs Computing kpt #: 471 total cpu time spent up to now is 184.3 secs Computing kpt #: 472 total cpu time spent up to now is 184.6 secs Computing kpt #: 473 total cpu time spent up to now is 184.9 secs Computing kpt #: 474 total cpu time spent up to now is 185.2 secs Computing kpt #: 475 total cpu time spent up to now is 185.6 secs Computing kpt #: 476 total cpu time spent up to now is 185.9 secs Computing kpt #: 477 total cpu time spent up to now is 186.2 secs Computing kpt #: 478 total cpu time spent up to now is 186.5 secs Computing kpt #: 479 total cpu time spent up to now is 186.9 secs Computing kpt #: 480 total cpu time spent up to now is 187.2 secs Computing kpt #: 481 total cpu time spent up to now is 187.5 secs Computing kpt #: 482 total cpu time spent up to now is 187.8 secs Computing kpt #: 483 total cpu time spent up to now is 188.2 secs Computing kpt #: 484 total cpu time spent up to now is 188.5 secs ethr = 2.78E-08, avg # of iterations = 22.4 total cpu time spent up to now is 188.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -3.2704 -3.2704 -0.7933 -0.7933 1.2189 1.2189 1.8853 1.8853 5.1308 5.1308 6.0742 6.0742 7.1318 7.1318 7.2575 7.2575 7.9999 7.9999 8.4028 8.4028 9.6645 9.6645 10.0579 10.0579 10.4405 10.4405 10.4974 10.4974 10.8630 10.8630 11.0877 11.0877 11.3669 11.3669 11.5217 11.5217 13.7145 13.7145 13.8961 13.8961 15.7793 15.7793 16.3514 16.3514 k = 0.0086-0.0000-0.0000 ( 2757 PWs) bands (ev): -3.2691 -3.2691 -0.7921 -0.7921 1.2200 1.2200 1.8863 1.8863 5.1322 5.1322 6.0754 6.0754 7.1330 7.1330 7.2577 7.2577 8.0005 8.0005 8.4034 8.4034 9.6635 9.6635 10.0578 10.0578 10.4402 10.4402 10.4969 10.4969 10.8630 10.8630 11.0873 11.0873 11.3655 11.3655 11.5209 11.5209 13.7143 13.7143 13.8847 13.8847 15.7653 15.7653 16.3500 16.3500 k = 0.0172-0.0000-0.0000 ( 2755 PWs) bands (ev): -3.2651 -3.2651 -0.7885 -0.7885 1.2235 1.2235 1.8895 1.8895 5.1365 5.1365 6.0789 6.0789 7.1366 7.1366 7.2580 7.2580 8.0022 8.0022 8.4052 8.4052 9.6608 9.6608 10.0574 10.0574 10.4395 10.4395 10.4952 10.4952 10.8630 10.8630 11.0861 11.0861 11.3613 11.3613 11.5186 11.5186 13.7135 13.7135 13.8512 13.8512 15.7246 15.7246 16.3457 16.3457 k = 0.0259-0.0000-0.0000 ( 2755 PWs) bands (ev): -3.2583 -3.2583 -0.7826 -0.7826 1.2293 1.2293 1.8947 1.8947 5.1436 5.1436 6.0849 6.0849 7.1425 7.1425 7.2586 7.2586 8.0049 8.0049 8.4082 8.4082 9.6562 9.6562 10.0568 10.0568 10.4382 10.4382 10.4924 10.4924 10.8629 10.8629 11.0841 11.0841 11.3543 11.3543 11.5150 11.5150 13.7114 13.7114 13.7977 13.7977 15.6595 15.6595 16.3383 16.3383 k = 0.0345-0.0000-0.0000 ( 2751 PWs) bands (ev): -3.2489 -3.2489 -0.7744 -0.7744 1.2375 1.2375 1.9020 1.9020 5.1536 5.1536 6.0932 6.0932 7.1507 7.1507 7.2595 7.2595 8.0088 8.0088 8.4123 8.4123 9.6497 9.6497 10.0559 10.0559 10.4364 10.4364 10.4885 10.4885 10.8628 10.8628 11.0812 11.0812 11.3446 11.3446 11.5100 11.5100 13.6983 13.6983 13.7361 13.7361 15.5733 15.5733 16.3273 16.3273 k = 0.0431-0.0000-0.0000 ( 2757 PWs) bands (ev): -3.2368 -3.2368 -0.7637 -0.7637 1.2479 1.2479 1.9114 1.9114 5.1664 5.1664 6.1038 6.1038 7.1613 7.1613 7.2605 7.2605 8.0138 8.0138 8.4176 8.4176 9.6407 9.6407 10.0546 10.0546 10.4341 10.4341 10.4833 10.4833 10.8625 10.8625 11.0773 11.0773 11.3321 11.3321 11.5036 11.5036 13.6249 13.6249 13.7184 13.7184 15.4695 15.4695 16.3122 16.3122 k = 0.0517-0.0000-0.0000 ( 2757 PWs) bands (ev): -3.2220 -3.2220 -0.7507 -0.7507 1.2607 1.2607 1.9229 1.9229 5.1821 5.1821 6.1168 6.1168 7.1741 7.1741 7.2617 7.2617 8.0198 8.0198 8.4240 8.4240 9.6291 9.6291 10.0528 10.0528 10.4314 10.4314 10.4770 10.4770 10.8622 10.8622 11.0725 11.0725 11.3170 11.3170 11.4958 11.4958 13.5232 13.5232 13.7155 13.7155 15.3514 15.3514 16.2921 16.2921 k = 0.0603-0.0000-0.0000 ( 2761 PWs) bands (ev): -3.2045 -3.2045 -0.7354 -0.7354 1.2758 1.2758 1.9364 1.9364 5.2005 5.2005 6.1322 6.1322 7.1892 7.1892 7.2631 7.2631 8.0268 8.0268 8.4316 8.4316 9.6144 9.6144 10.0505 10.0505 10.4282 10.4282 10.4695 10.4695 10.8618 10.8618 11.0667 11.0667 11.2993 11.2993 11.4866 11.4866 13.4098 13.4098 13.7137 13.7137 15.2217 15.2217 16.2658 16.2658 k = 0.0690-0.0000-0.0000 ( 2757 PWs) bands (ev): -3.1844 -3.1844 -0.7178 -0.7178 1.2932 1.2932 1.9520 1.9520 5.2218 5.2218 6.1499 6.1499 7.2066 7.2066 7.2646 7.2646 8.0348 8.0348 8.4403 8.4403 9.5962 9.5962 10.0475 10.0475 10.4248 10.4248 10.4608 10.4608 10.8613 10.8613 11.0597 11.0597 11.2791 11.2791 11.4761 11.4761 13.2887 13.2887 13.7122 13.7122 15.0827 15.0827 16.2323 16.2323 k = 0.0776-0.0000-0.0000 ( 2761 PWs) bands (ev): -3.1616 -3.1616 -0.6979 -0.6979 1.3128 1.3128 1.9696 1.9696 5.2458 5.2458 6.1700 6.1700 7.2260 7.2260 7.2661 7.2661 8.0438 8.0438 8.4500 8.4500 9.5739 9.5739 10.0437 10.0437 10.4207 10.4207 10.4508 10.4508 10.8607 10.8607 11.0516 11.0516 11.2566 11.2566 11.4643 11.4643 13.1629 13.1629 13.7107 13.7107 14.9365 14.9365 16.1901 16.1901 k = 0.0862-0.0000-0.0000 ( 2761 PWs) bands (ev): -3.1361 -3.1361 -0.6756 -0.6756 1.3348 1.3348 1.9892 1.9892 5.2726 5.2726 6.1924 6.1924 7.2476 7.2476 7.2677 7.2677 8.0538 8.0538 8.4608 8.4608 9.5468 9.5468 10.0389 10.0389 10.4162 10.4162 10.4397 10.4397 10.8598 10.8598 11.0422 11.0422 11.2318 11.2318 11.4512 11.4512 13.0353 13.0353 13.7090 13.7090 14.7849 14.7849 16.1381 16.1381 k = 0.0948-0.0000-0.0000 ( 2761 PWs) bands (ev): -3.1080 -3.1080 -0.6511 -0.6511 1.3590 1.3590 2.0109 2.0109 5.3021 5.3021 6.2172 6.2172 7.2690 7.2690 7.2714 7.2714 8.0646 8.0646 8.4726 8.4726 9.5141 9.5141 10.0328 10.0328 10.4108 10.4108 10.4277 10.4277 10.8588 10.8588 11.0316 11.0316 11.2050 11.2050 11.4370 11.4370 12.9083 12.9083 13.7073 13.7073 14.6294 14.6294 16.0754 16.0754 k = 0.1034-0.0000-0.0000 ( 2761 PWs) bands (ev): -3.0772 -3.0772 -0.6243 -0.6243 1.3855 1.3855 2.0346 2.0346 5.3343 5.3343 6.2442 6.2442 7.2706 7.2706 7.2968 7.2968 8.0763 8.0763 8.4854 8.4854 9.4750 9.4750 10.0253 10.0253 10.4030 10.4030 10.4162 10.4162 10.8574 10.8574 11.0198 11.0198 11.1763 11.1763 11.4214 11.4214 12.7841 12.7841 13.7053 13.7053 14.4713 14.4713 16.0014 16.0014 k = 0.1121-0.0000-0.0000 ( 2765 PWs) bands (ev): -3.0438 -3.0438 -0.5954 -0.5954 1.4143 1.4143 2.0602 2.0602 5.3692 5.3692 6.2735 6.2735 7.2719 7.2719 7.3242 7.3242 8.0887 8.0887 8.4991 8.4991 9.4286 9.4286 10.0160 10.0160 10.3902 10.3902 10.4078 10.4078 10.8557 10.8557 11.0069 11.0069 11.1459 11.1459 11.4045 11.4045 12.6650 12.6650 13.7032 13.7032 14.3120 14.3120 15.9165 15.9165 k = 0.1207-0.0000-0.0000 ( 2757 PWs) bands (ev): -3.0077 -3.0077 -0.5642 -0.5642 1.4453 1.4453 2.0878 2.0878 5.4067 5.4067 6.3051 6.3051 7.2731 7.2731 7.3533 7.3533 8.1019 8.1019 8.5136 8.5136 9.3738 9.3738 10.0049 10.0049 10.3730 10.3730 10.4019 10.4019 10.8536 10.8536 10.9932 10.9932 11.1143 11.1143 11.3866 11.3866 12.5525 12.5525 13.7010 13.7010 14.1526 14.1526 15.8215 15.8215 k = 0.1293-0.0000-0.0000 ( 2751 PWs) bands (ev): -2.9691 -2.9691 -0.5308 -0.5308 1.4785 1.4785 2.1174 2.1174 5.4469 5.4469 6.3390 6.3390 7.2739 7.2739 7.3840 7.3840 8.1158 8.1158 8.5290 8.5290 9.3100 9.3100 9.9915 9.9915 10.3528 10.3528 10.3966 10.3966 10.8511 10.8511 10.9789 10.9789 11.0815 11.0815 11.3674 11.3674 12.4483 12.4483 13.6985 13.6985 13.9943 13.9943 15.7176 15.7176 k = 0.1379-0.0000-0.0000 ( 2759 PWs) bands (ev): -2.9278 -2.9278 -0.4953 -0.4953 1.5139 1.5139 2.1488 2.1488 5.4895 5.4895 6.3751 6.3751 7.2744 7.2744 7.4163 7.4163 8.1303 8.1303 8.5450 8.5450 9.2362 9.2362 9.9753 9.9753 10.3297 10.3297 10.3915 10.3915 10.8481 10.8481 10.9645 10.9645 11.0479 11.0479 11.3471 11.3471 12.3532 12.3532 13.6956 13.6956 13.8381 13.8381 15.6067 15.6067 k = 0.1466-0.0000-0.0000 ( 2763 PWs) bands (ev): -2.8839 -2.8839 -0.4577 -0.4577 1.5515 1.5515 2.1822 2.1822 5.5347 5.5347 6.4135 6.4135 7.2745 7.2745 7.4498 7.4498 8.1453 8.1453 8.5617 8.5617 9.1521 9.1521 9.9562 9.9562 10.3037 10.3037 10.3866 10.3866 10.8444 10.8444 10.9506 10.9506 11.0140 11.0140 11.3256 11.3256 12.2680 12.2680 13.6798 13.6798 13.6977 13.6977 15.4906 15.4906 k = 0.1552-0.0000-0.0000 ( 2765 PWs) bands (ev): -2.8375 -2.8375 -0.4181 -0.4181 1.5913 1.5913 2.2174 2.2174 5.5824 5.5824 6.4540 6.4540 7.2742 7.2742 7.4844 7.4844 8.1608 8.1608 8.5789 8.5789 9.0574 9.0574 9.9338 9.9338 10.2743 10.2743 10.3820 10.3820 10.8402 10.8402 10.9375 10.9375 10.9803 10.9803 11.3030 11.3030 12.1929 12.1929 13.5345 13.5345 13.6907 13.6907 15.3709 15.3709 k = 0.1638-0.0000-0.0000 ( 2765 PWs) bands (ev): -2.7885 -2.7885 -0.3765 -0.3765 1.6332 1.6332 2.2544 2.2544 5.6325 5.6325 6.4968 6.4968 7.2733 7.2733 7.5199 7.5199 8.1766 8.1766 8.5965 8.5965 8.9522 8.9522 9.9076 9.9076 10.2413 10.2413 10.3775 10.3775 10.8355 10.8355 10.9258 10.9258 10.9472 10.9472 11.2792 11.2792 12.1278 12.1278 13.3902 13.3902 13.6873 13.6873 15.2493 15.2493 k = 0.1724-0.0000-0.0000 ( 2765 PWs) bands (ev): -2.7369 -2.7369 -0.3329 -0.3329 1.6772 1.6772 2.2932 2.2932 5.6849 5.6849 6.5417 6.5417 7.2717 7.2717 7.5560 7.5560 8.1928 8.1928 8.6144 8.6144 8.8369 8.8369 9.8774 9.8774 10.2043 10.2043 10.3733 10.3733 10.8304 10.8304 10.9152 10.9152 10.9156 10.9156 11.2544 11.2544 12.0721 12.0721 13.2516 13.2516 13.6839 13.6839 15.1272 15.1272 k = 0.1810-0.0000-0.0000 ( 2769 PWs) bands (ev): -2.6828 -2.6828 -0.2874 -0.2874 1.7234 1.7234 2.3338 2.3338 5.7396 5.7396 6.5887 6.5887 7.2695 7.2695 7.5923 7.5923 8.2091 8.2091 8.6324 8.6324 8.7122 8.7122 9.8429 9.8429 10.1630 10.1630 10.3693 10.3693 10.8249 10.8249 10.8849 10.8849 10.9071 10.9071 11.2283 11.2283 12.0252 12.0252 13.1195 13.1195 13.6803 13.6803 15.0060 15.0060 k = 0.1897-0.0000-0.0000 ( 2769 PWs) bands (ev): -2.6262 -2.6262 -0.2400 -0.2400 1.7716 1.7716 2.3761 2.3761 5.7966 5.7966 6.6377 6.6377 7.2664 7.2664 7.6286 7.6286 8.2256 8.2256 8.5790 8.5790 8.6503 8.6503 9.8041 9.8041 10.1170 10.1170 10.3655 10.3655 10.8189 10.8189 10.8573 10.8573 10.9001 10.9001 11.2012 11.2012 11.9862 11.9862 12.9948 12.9948 13.6766 13.6766 14.8866 14.8866 k = 0.1983-0.0000-0.0000 ( 2761 PWs) bands (ev): -2.5671 -2.5671 -0.1910 -0.1910 1.8218 1.8218 2.4200 2.4200 5.8558 5.8558 6.6889 6.6889 7.2626 7.2626 7.6642 7.6642 8.2421 8.2421 8.4383 8.4383 8.6678 8.6678 9.7612 9.7612 10.0662 10.0662 10.3621 10.3621 10.8107 10.8107 10.8346 10.8346 10.8946 10.8946 11.1729 11.1729 11.9544 11.9544 12.8782 12.8782 13.6727 13.6727 14.7701 14.7701 k = 0.2069-0.0000-0.0000 ( 2767 PWs) bands (ev): -2.5056 -2.5056 -0.1402 -0.1402 1.8740 1.8740 2.4656 2.4656 5.9170 5.9170 6.7420 6.7420 7.2578 7.2578 7.6987 7.6987 8.2584 8.2584 8.2912 8.2912 8.6846 8.6846 9.7142 9.7142 10.0103 10.0103 10.3589 10.3589 10.7956 10.7956 10.8214 10.8214 10.8904 10.8904 11.1434 11.1434 11.9287 11.9287 12.7700 12.7700 13.6685 13.6685 14.6571 14.6571 k = 0.2155-0.0000-0.0000 ( 2759 PWs) bands (ev): -2.4416 -2.4416 -0.0879 -0.0879 1.9282 1.9282 2.5127 2.5127 5.9802 5.9802 6.7971 6.7971 7.2521 7.2521 7.7312 7.7312 8.1387 8.1387 8.2746 8.2746 8.7004 8.7004 9.6640 9.6640 9.9497 9.9497 10.3559 10.3559 10.7765 10.7765 10.8154 10.8154 10.8875 10.8875 11.1128 11.1128 11.9086 11.9086 12.6708 12.6708 13.6643 13.6643 14.5485 14.5485 k = 0.2241-0.0000-0.0000 ( 2759 PWs) bands (ev): -2.3752 -2.3752 -0.0341 -0.0341 1.9842 1.9842 2.5613 2.5613 6.0453 6.0453 6.8540 6.8540 7.2454 7.2454 7.7608 7.7608 7.9822 7.9822 8.2904 8.2904 8.7145 8.7145 9.6116 9.6116 9.8842 9.8842 10.3531 10.3531 10.7579 10.7579 10.8114 10.8114 10.8857 10.8857 11.0813 11.0813 11.8932 11.8932 12.5807 12.5807 13.6597 13.6597 14.4448 14.4448 k = 0.2328-0.0000-0.0000 ( 2753 PWs) bands (ev): -2.3064 -2.3064 0.0211 0.0211 2.0422 2.0422 2.6113 2.6113 6.1121 6.1121 6.9126 6.9126 7.2375 7.2375 7.7865 7.7865 7.8227 7.8227 8.3056 8.3056 8.7266 8.7266 9.5586 9.5586 9.8144 9.8144 10.3502 10.3502 10.7410 10.7410 10.8080 10.8080 10.8851 10.8851 11.0489 11.0489 11.8820 11.8820 12.4997 12.4997 13.6550 13.6550 14.3466 14.3466 k = 0.2414-0.0000-0.0000 ( 2751 PWs) bands (ev): -2.2353 -2.2353 0.0775 0.0775 2.1020 2.1020 2.6627 2.6627 6.1805 6.1805 6.9728 6.9728 7.2286 7.2286 7.6612 7.6612 7.8068 7.8068 8.3201 8.3201 8.7361 8.7361 9.5069 9.5069 9.7404 9.7404 10.3474 10.3474 10.7260 10.7260 10.8044 10.8044 10.8853 10.8853 11.0160 11.0160 11.8743 11.8743 12.4277 12.4277 13.6500 13.6500 14.2541 14.2541 k = 0.2500-0.0000-0.0000 ( 2751 PWs) bands (ev): -2.1618 -2.1618 0.1349 0.1349 2.1635 2.1635 2.7154 2.7154 6.2502 6.2502 7.0339 7.0339 7.2184 7.2184 7.4994 7.4994 7.8200 7.8200 8.3337 8.3337 8.7424 8.7424 9.4585 9.4585 9.6630 9.6630 10.3442 10.3442 10.7130 10.7130 10.8002 10.8002 10.8858 10.8858 10.9837 10.9837 11.8699 11.8699 12.3645 12.3645 13.6448 13.6448 14.1679 14.1679 k = 0.2586-0.0000-0.0000 ( 2763 PWs) bands (ev): -2.0861 -2.0861 0.1933 0.1933 2.2267 2.2267 2.7693 2.7693 6.3209 6.3209 7.0938 7.0938 7.2071 7.2071 7.3405 7.3405 7.8240 7.8240 8.3460 8.3460 8.7454 8.7454 9.4158 9.4158 9.5827 9.5827 10.3406 10.3406 10.7016 10.7016 10.7948 10.7948 10.8840 10.8840 10.9542 10.9542 11.8682 11.8682 12.3095 12.3095 13.6395 13.6395 14.0882 14.0882 k = 0.2672-0.0000-0.0000 ( 2763 PWs) bands (ev): -2.0081 -2.0081 0.2525 0.2525 2.2915 2.2915 2.8244 2.8244 6.3916 6.3916 7.1222 7.1222 7.1949 7.1949 7.2159 7.2159 7.8168 7.8168 8.3567 8.3567 8.7456 8.7456 9.3804 9.3804 9.5010 9.5010 10.3362 10.3362 10.6918 10.6918 10.7878 10.7878 10.8747 10.8747 10.9341 10.9341 11.8689 11.8689 12.2624 12.2624 13.6340 13.6340 14.0152 14.0152 k = 0.2759-0.0000-0.0000 ( 2767 PWs) bands (ev): -1.9279 -1.9279 0.3121 0.3121 2.3579 2.3579 2.8804 2.8804 6.4604 6.4604 7.0021 7.0021 7.1807 7.1807 7.2462 7.2462 7.7961 7.7961 8.3651 8.3651 8.7440 8.7440 9.3511 9.3511 9.4209 9.4209 10.3306 10.3306 10.6831 10.6831 10.7781 10.7781 10.8537 10.8537 10.9281 10.9281 11.8719 11.8719 12.2225 12.2225 13.6282 13.6282 13.9492 13.9492 k = 0.2845-0.0000-0.0000 ( 2767 PWs) bands (ev): -1.8456 -1.8456 0.3720 0.3720 2.4257 2.4257 2.9373 2.9373 6.5203 6.5203 6.8604 6.8604 7.1657 7.1657 7.3108 7.3108 7.7605 7.7605 8.3707 8.3707 8.7421 8.7421 9.3097 9.3097 9.3623 9.3623 10.3232 10.3232 10.6755 10.6755 10.7639 10.7639 10.8290 10.8290 10.9307 10.9307 11.8769 11.8769 12.1891 12.1891 13.6224 13.6224 13.8903 13.8903 k = 0.2931-0.0000-0.0000 ( 2769 PWs) bands (ev): -1.7611 -1.7611 0.4320 0.4320 2.4949 2.4949 2.9950 2.9950 6.5379 6.5379 6.7613 6.7613 7.1494 7.1494 7.3798 7.3798 7.7092 7.7092 8.3724 8.3724 8.7418 8.7418 9.2362 9.2362 9.3458 9.3458 10.3135 10.3135 10.6685 10.6685 10.7432 10.7432 10.8083 10.8083 10.9366 10.9366 11.8837 11.8837 12.1618 12.1618 13.6165 13.6165 13.8386 13.8386 k = 0.3017-0.0000-0.0000 ( 2757 PWs) bands (ev): -1.6747 -1.6747 0.4916 0.4916 2.5654 2.5654 3.0534 3.0534 6.4537 6.4537 6.7669 6.7669 7.1320 7.1320 7.4507 7.4507 7.6427 7.6427 8.3688 8.3688 8.7440 8.7440 9.1575 9.1575 9.3451 9.3451 10.3006 10.3006 10.6615 10.6615 10.7176 10.7176 10.7933 10.7933 10.9442 10.9442 11.8922 11.8922 12.1398 12.1398 13.6105 13.6105 13.7941 13.7941 k = 0.3103-0.0000-0.0000 ( 2753 PWs) bands (ev): -1.5862 -1.5862 0.5506 0.5506 2.6370 2.6370 3.1123 3.1123 6.3188 6.3188 6.8272 6.8272 7.1135 7.1135 7.5221 7.5221 7.5631 7.5631 8.3580 8.3580 8.7493 8.7493 9.0823 9.0823 9.3519 9.3519 10.2835 10.2835 10.6526 10.6526 10.6920 10.6920 10.7820 10.7820 10.9525 10.9525 11.9020 11.9020 12.1227 12.1227 13.6045 13.6045 13.7568 13.7568 k = 0.3190-0.0000-0.0000 ( 2749 PWs) bands (ev): -1.4959 -1.4959 0.6085 0.6085 2.7096 2.7096 3.1715 3.1715 6.1750 6.1750 6.9010 6.9010 7.0938 7.0938 7.4682 7.4682 7.5978 7.5978 8.3379 8.3379 8.7573 8.7573 9.0145 9.0145 9.3638 9.3638 10.2614 10.2614 10.6386 10.6386 10.6731 10.6731 10.7726 10.7726 10.9611 10.9611 11.9131 11.9131 12.1097 12.1097 13.5986 13.5986 13.7267 13.7267 k = 0.3276-0.0000-0.0000 ( 2739 PWs) bands (ev): -1.4037 -1.4037 0.6650 0.6650 2.7831 2.7831 3.2309 3.2309 6.0316 6.0316 6.9795 6.9795 7.0732 7.0732 7.3653 7.3653 7.6723 7.6723 8.3063 8.3063 8.7674 8.7674 8.9569 8.9569 9.3791 9.3791 10.2335 10.2335 10.6194 10.6194 10.6628 10.6628 10.7644 10.7644 10.9697 10.9697 11.9254 11.9254 12.1005 12.1005 13.5929 13.5929 13.7037 13.7037 k = 0.3362-0.0000-0.0000 ( 2747 PWs) bands (ev): -1.3098 -1.3098 0.7194 0.7194 2.8572 2.8572 3.2903 3.2903 5.8917 5.8917 7.0514 7.0514 7.0604 7.0604 7.2543 7.2543 7.7479 7.7479 8.2614 8.2614 8.7786 8.7786 8.9117 8.9117 9.3962 9.3962 10.1994 10.1994 10.6000 10.6000 10.6565 10.6565 10.7571 10.7571 10.9780 10.9780 11.9388 11.9388 12.0945 12.0945 13.5875 13.5875 13.6873 13.6873 k = 0.3448-0.0000-0.0000 ( 2747 PWs) bands (ev): -1.2142 -1.2142 0.7713 0.7713 2.9319 2.9319 3.3494 3.3494 5.7567 5.7567 7.0291 7.0291 7.1321 7.1321 7.1473 7.1473 7.8242 7.8242 8.2034 8.2034 8.7900 8.7900 8.8794 8.8794 9.4141 9.4141 10.1594 10.1594 10.5836 10.5836 10.6519 10.6519 10.7509 10.7509 10.9860 10.9860 11.9530 11.9530 12.0913 12.0913 13.5827 13.5827 13.6776 13.6776 k = 0.3534-0.0000-0.0000 ( 2743 PWs) bands (ev): -1.1172 -1.1172 0.8200 0.8200 3.0069 3.0069 3.4080 3.4080 5.6278 5.6278 7.0050 7.0050 7.0155 7.0155 7.2260 7.2260 7.9011 7.9011 8.1338 8.1338 8.8009 8.8009 8.8591 8.8591 9.4316 9.4316 10.1142 10.1142 10.5706 10.5706 10.6478 10.6478 10.7460 10.7460 10.9936 10.9936 11.9682 11.9682 12.0905 12.0905 13.5785 13.5785 13.6743 13.6743 k = 0.3621-0.0000-0.0000 ( 2743 PWs) bands (ev): -1.0186 -1.0186 0.8649 0.8649 3.0819 3.0819 3.4659 3.4659 5.5061 5.5061 6.8888 6.8888 6.9830 6.9830 7.3094 7.3094 7.9783 7.9783 8.0550 8.0550 8.8106 8.8106 8.8488 8.8488 9.4477 9.4477 10.0645 10.0645 10.5609 10.5609 10.6439 10.6439 10.7426 10.7426 11.0004 11.0004 11.9839 11.9839 12.0918 12.0918 13.5750 13.5750 13.6773 13.6773 k = 0.3707-0.0000-0.0000 ( 2751 PWs) bands (ev): -0.9188 -0.9188 0.9051 0.9051 3.1567 3.1567 3.5228 3.5228 5.3924 5.3924 6.7613 6.7613 6.9593 6.9593 7.3931 7.3931 7.9693 7.9693 8.0561 8.0561 8.8185 8.8185 8.8465 8.8465 9.4614 9.4614 10.0114 10.0114 10.5537 10.5537 10.6400 10.6400 10.7411 10.7411 11.0064 11.0064 12.0001 12.0001 12.0949 12.0949 13.5723 13.5723 13.6863 13.6863 k = 0.3793-0.0000-0.0000 ( 2747 PWs) bands (ev): -0.8179 -0.8179 0.9400 0.9400 3.2310 3.2310 3.5783 3.5783 5.2877 5.2877 6.6326 6.6326 6.9357 6.9357 7.4768 7.4768 7.8799 7.8799 8.1335 8.1335 8.8240 8.8240 8.8502 8.8502 9.4718 9.4718 9.9558 9.9558 10.5489 10.5489 10.6362 10.6362 10.7418 10.7418 11.0116 11.0116 12.0168 12.0168 12.0994 12.0994 13.5705 13.5705 13.7011 13.7011 k = 0.3879-0.0000-0.0000 ( 2745 PWs) bands (ev): -0.7160 -0.7160 0.9686 0.9686 3.3045 3.3045 3.6321 3.6321 5.1929 5.1929 6.5036 6.5036 6.9125 6.9125 7.5600 7.5600 7.7883 7.7883 8.2108 8.2108 8.8268 8.8268 8.8588 8.8588 9.4783 9.4783 9.8985 9.8985 10.5458 10.5458 10.6321 10.6321 10.7450 10.7450 11.0158 11.0158 12.0336 12.0336 12.1051 12.1051 13.5698 13.5698 13.7213 13.7214 k = 0.3966-0.0000-0.0000 ( 2741 PWs) bands (ev): -0.6132 -0.6132 0.9903 0.9903 3.3768 3.3768 3.6838 3.6838 5.1089 5.1089 6.3750 6.3750 6.8901 6.8901 7.6412 7.6412 7.6975 7.6975 8.2877 8.2877 8.8264 8.8264 8.8713 8.8713 9.4802 9.4802 9.8402 9.8402 10.5440 10.5440 10.6279 10.6279 10.7507 10.7507 11.0189 11.0189 12.0504 12.0504 12.1117 12.1117 13.5705 13.5705 13.7466 13.7466 k = 0.4052-0.0000-0.0000 ( 2733 PWs) bands (ev): -0.5100 -0.5100 1.0042 1.0042 3.4475 3.4475 3.7330 3.7330 5.0365 5.0365 6.2476 6.2476 6.8688 6.8688 7.6022 7.6022 7.7268 7.7268 8.3641 8.3641 8.8226 8.8226 8.8870 8.8870 9.4771 9.4771 9.7816 9.7816 10.5433 10.5433 10.6236 10.6236 10.7591 10.7591 11.0208 11.0208 12.0671 12.0671 12.1190 12.1190 13.5729 13.5729 13.7763 13.7763 k = 0.4138-0.0000-0.0000 ( 2731 PWs) bands (ev): -0.4063 -0.4063 1.0096 1.0096 3.5161 3.5161 3.7793 3.7793 4.9766 4.9766 6.1219 6.1219 6.8490 6.8490 7.5124 7.5124 7.8074 7.8074 8.4396 8.4396 8.8151 8.8151 8.9056 8.9056 9.4685 9.4685 9.7232 9.7232 10.5435 10.5435 10.6191 10.6191 10.7701 10.7701 11.0215 11.0215 12.0834 12.0834 12.1267 12.1267 13.5772 13.5772 13.8097 13.8097 k = 0.4224-0.0000-0.0000 ( 2731 PWs) bands (ev): -0.3027 -0.3027 1.0060 1.0060 3.5821 3.5821 3.8221 3.8221 4.9296 4.9296 5.9985 5.9985 6.8313 6.8313 7.4247 7.4247 7.8872 7.8872 8.5142 8.5142 8.8036 8.8036 8.9265 8.9265 9.4543 9.4543 9.6654 9.6654 10.5444 10.5444 10.6144 10.6144 10.7835 10.7835 11.0208 11.0208 12.0991 12.0991 12.1347 12.1347 13.5839 13.5839 13.8463 13.8463 k = 0.4310-0.0000-0.0000 ( 2736 PWs) bands (ev): -0.1992 -0.1992 0.9930 0.9930 3.6450 3.6450 3.8609 3.8609 4.8960 4.8960 5.8780 5.8780 6.8163 6.8163 7.3404 7.3404 7.9655 7.9655 8.5875 8.5875 8.7880 8.7880 8.9498 8.9498 9.4347 9.4347 9.6084 9.6084 10.5458 10.5458 10.6096 10.6096 10.7989 10.7989 11.0187 11.0187 12.1139 12.1139 12.1426 12.1426 13.5933 13.5933 13.8852 13.8852 k = 0.4397-0.0000-0.0000 ( 2736 PWs) bands (ev): -0.0963 -0.0963 0.9704 0.9704 3.7042 3.7042 3.8952 3.8952 4.8761 4.8761 5.7611 5.7611 6.8046 6.8046 7.2602 7.2602 8.0420 8.0420 8.6594 8.6594 8.7682 8.7682 8.9753 8.9753 9.4097 9.4097 9.5528 9.5528 10.5479 10.5479 10.6048 10.6048 10.8160 10.8160 11.0150 11.0150 12.1277 12.1277 12.1504 12.1504 13.6059 13.6059 13.9253 13.9253 k = 0.4483-0.0000-0.0000 ( 2728 PWs) bands (ev): 0.0055 0.0055 0.9382 0.9382 3.7591 3.7591 3.9245 3.9245 4.8699 4.8699 5.6483 5.6483 6.7967 6.7967 7.1849 7.1849 8.1165 8.1165 8.7275 8.7275 8.7462 8.7462 9.0029 9.0029 9.3796 9.3796 9.4986 9.4986 10.5503 10.5503 10.5999 10.5999 10.8343 10.8343 11.0099 11.0099 12.1403 12.1403 12.1578 12.1578 13.6223 13.6223 13.9655 13.9655 k = 0.4569-0.0000-0.0000 ( 2728 PWs) bands (ev): 0.1060 0.1060 0.8966 0.8966 3.8092 3.8092 3.9481 3.9481 4.8770 4.8770 5.5402 5.5402 6.7935 6.7935 7.1151 7.1151 8.1885 8.1885 8.7140 8.7140 8.7995 8.7995 9.0326 9.0326 9.3447 9.3447 9.4461 9.4461 10.5532 10.5532 10.5950 10.5950 10.8533 10.8533 11.0030 11.0030 12.1512 12.1512 12.1645 12.1645 13.6427 13.6427 14.0043 14.0043 k = 0.4655-0.0000-0.0000 ( 2722 PWs) bands (ev): 0.2046 0.2046 0.8461 0.8461 3.8537 3.8537 3.9657 3.9657 4.8972 4.8972 5.4374 5.4374 6.7954 6.7954 7.0515 7.0515 8.2578 8.2578 8.6807 8.6807 8.8660 8.8660 9.0643 9.0643 9.3053 9.3053 9.3954 9.3954 10.5563 10.5563 10.5901 10.5901 10.8726 10.8726 10.9946 10.9946 12.1607 12.1607 12.1703 12.1703 13.6677 13.6677 14.0380 14.0381 k = 0.4741-0.0000-0.0000 ( 2714 PWs) bands (ev): 0.3007 0.3007 0.7872 0.7872 3.8922 3.8922 3.9767 3.9767 4.9297 4.9297 5.3407 5.3407 6.8031 6.8031 6.9945 6.9945 8.3240 8.3240 8.6427 8.6427 8.9305 8.9305 9.0983 9.0983 9.2618 9.2618 9.3467 9.3467 10.5599 10.5599 10.5854 10.5854 10.8917 10.8917 10.9844 10.9844 12.1684 12.1684 12.1749 12.1749 13.6978 13.6978 13.9960 13.9960 k = 0.4828-0.0000-0.0000 ( 2722 PWs) bands (ev): 0.3937 0.3937 0.7206 0.7206 3.9242 3.9242 3.9807 3.9807 4.9739 4.9739 5.2506 5.2506 6.8172 6.8172 6.9444 6.9444 8.3870 8.3870 8.6001 8.6001 8.9927 8.9927 9.1342 9.1342 9.2145 9.2145 9.3000 9.3000 10.5636 10.5636 10.5807 10.5807 10.9101 10.9101 10.9726 10.9726 12.1741 12.1741 12.1781 12.1781 13.7331 13.7331 13.9322 13.9322 k = 0.4914-0.0000-0.0000 ( 2716 PWs) bands (ev): 0.4829 0.4829 0.6472 0.6472 3.9493 3.9493 3.9776 3.9776 5.0289 5.0289 5.1681 5.1681 6.8381 6.8381 6.9016 6.9016 8.4463 8.4463 8.5531 8.5531 9.0524 9.0524 9.1621 9.1621 9.1740 9.1740 9.2555 9.2555 10.5676 10.5676 10.5761 10.5761 10.9277 10.9277 10.9592 10.9592 12.1779 12.1779 12.1798 12.1798 13.7740 13.7740 13.8736 13.8736 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 0.5677 0.5677 0.5677 0.5677 3.9671 3.9671 3.9672 3.9672 5.0939 5.0939 5.0940 5.0940 6.8662 6.8662 6.8662 6.8662 8.5018 8.5018 8.5018 8.5018 9.1094 9.1094 9.1094 9.1094 9.2130 9.2130 9.2131 9.2131 10.5718 10.5718 10.5718 10.5718 10.9442 10.9442 10.9442 10.9442 12.1797 12.1797 12.1798 12.1798 13.8208 13.8208 13.8209 13.8209 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 0.5677 0.5677 0.5677 0.5677 3.9671 3.9671 3.9672 3.9672 5.0939 5.0939 5.0940 5.0940 6.8662 6.8662 6.8662 6.8662 8.5018 8.5018 8.5018 8.5018 9.1094 9.1094 9.1094 9.1094 9.2130 9.2130 9.2131 9.2131 10.5718 10.5718 10.5718 10.5718 10.9442 10.9442 10.9442 10.9442 12.1797 12.1797 12.1798 12.1798 13.8208 13.8208 13.8209 13.8209 k = 0.5000 0.0086-0.0000 ( 2714 PWs) bands (ev): 0.5679 0.5679 0.5680 0.5680 3.9658 3.9658 3.9664 3.9664 5.0961 5.0961 5.0964 5.0964 6.8653 6.8653 6.8663 6.8663 8.4983 8.4983 8.4984 8.4984 9.0803 9.0803 9.0866 9.0866 9.2381 9.2381 9.2440 9.2440 10.5669 10.5669 10.5692 10.5692 10.9426 10.9426 10.9449 10.9449 12.1802 12.1802 12.1833 12.1833 13.8168 13.8168 13.8214 13.8214 k = 0.5000 0.0171-0.0000 ( 2714 PWs) bands (ev): 0.5685 0.5685 0.5686 0.5686 3.9624 3.9624 3.9635 3.9635 5.1029 5.1029 5.1034 5.1034 6.8636 6.8636 6.8655 6.8655 8.4881 8.4881 8.4884 8.4884 9.0326 9.0326 9.0407 9.0407 9.2904 9.2904 9.2978 9.2978 10.5549 10.5549 10.5592 10.5592 10.9403 10.9403 10.9448 10.9448 12.1847 12.1847 12.1908 12.1908 13.8096 13.8096 13.8184 13.8184 k = 0.5000 0.0257-0.0000 ( 2710 PWs) bands (ev): 0.5696 0.5696 0.5698 0.5698 3.9570 3.9570 3.9587 3.9587 5.1142 5.1142 5.1150 5.1150 6.8611 6.8611 6.8639 6.8639 8.4715 8.4715 8.4719 8.4719 8.9837 8.9837 8.9928 8.9928 9.3484 9.3484 9.3564 9.3564 10.5361 10.5361 10.5424 10.5424 10.9373 10.9373 10.9438 10.9438 12.1930 12.1930 12.2020 12.2020 13.8001 13.8001 13.8124 13.8124 k = 0.5000 0.0342-0.0000 ( 2714 PWs) bands (ev): 0.5711 0.5711 0.5713 0.5713 3.9499 3.9499 3.9521 3.9521 5.1299 5.1299 5.1310 5.1310 6.8576 6.8576 6.8614 6.8614 8.4487 8.4487 8.4493 8.4493 8.9374 8.9374 8.9474 8.9474 9.4069 9.4069 9.4157 9.4157 10.5115 10.5115 10.5196 10.5196 10.9335 10.9335 10.9419 10.9419 12.2048 12.2048 12.2165 12.2165 13.7890 13.7890 13.8041 13.8041 k = 0.5000 0.0428-0.0000 ( 2714 PWs) bands (ev): 0.5730 0.5730 0.5733 0.5733 3.9411 3.9411 3.9438 3.9438 5.1497 5.1497 5.1510 5.1510 6.8532 6.8532 6.8578 6.8578 8.4206 8.4206 8.4212 8.4212 8.8945 8.8945 8.9055 8.9055 9.4639 9.4639 9.4735 9.4735 10.4822 10.4822 10.4919 10.4919 10.9290 10.9290 10.9392 10.9392 12.2197 12.2197 12.2339 12.2339 13.7772 13.7772 13.7942 13.7942 k = 0.5000 0.0514-0.0000 ( 2710 PWs) bands (ev): 0.5753 0.5753 0.5756 0.5756 3.9309 3.9309 3.9342 3.9342 5.1733 5.1733 5.1750 5.1750 6.8476 6.8476 6.8530 6.8530 8.3880 8.3880 8.3888 8.3888 8.8550 8.8550 8.8670 8.8670 9.5176 9.5176 9.5284 9.5284 10.4494 10.4494 10.4605 10.4605 10.9239 10.9239 10.9356 10.9356 12.2374 12.2374 12.2540 12.2540 13.7653 13.7653 13.7837 13.7837 k = 0.5000 0.0599-0.0000 ( 2714 PWs) bands (ev): 0.5780 0.5780 0.5783 0.5783 3.9196 3.9196 3.9233 3.9233 5.2005 5.2005 5.2026 5.2026 6.8408 6.8408 6.8470 6.8470 8.3522 8.3522 8.3531 8.3531 8.8185 8.8185 8.8315 8.8315 9.5665 9.5665 9.5787 9.5787 10.4146 10.4146 10.4270 10.4270 10.9182 10.9182 10.9314 10.9314 12.2574 12.2574 12.2760 12.2760 13.7537 13.7537 13.7731 13.7731 k = 0.5000 0.0685-0.0000 ( 2710 PWs) bands (ev): 0.5810 0.5810 0.5814 0.5814 3.9073 3.9073 3.9115 3.9115 5.2311 5.2311 5.2335 5.2335 6.8326 6.8326 6.8395 6.8395 8.3146 8.3146 8.3156 8.3156 8.7843 8.7843 8.7984 8.7984 9.6089 9.6089 9.6227 9.6227 10.3797 10.3797 10.3933 10.3933 10.9121 10.9121 10.9267 10.9267 12.2795 12.2795 12.2998 12.2998 13.7430 13.7430 13.7630 13.7630 k = 0.5000 0.0770-0.0000 ( 2708 PWs) bands (ev): 0.5844 0.5844 0.5848 0.5848 3.8944 3.8944 3.8989 3.8989 5.2646 5.2646 5.2674 5.2674 6.8229 6.8229 6.8305 6.8305 8.2763 8.2763 8.2774 8.2774 8.7517 8.7517 8.7668 8.7668 9.6430 9.6430 9.6587 9.6587 10.3465 10.3465 10.3613 10.3613 10.9056 10.9056 10.9217 10.9217 12.3032 12.3032 12.3249 12.3249 13.7333 13.7333 13.7537 13.7537 k = 0.5000 0.0856-0.0000 ( 2712 PWs) bands (ev): 0.5880 0.5880 0.5885 0.5885 3.8809 3.8809 3.8858 3.8858 5.3009 5.3009 5.3041 5.3041 6.8117 6.8117 6.8197 6.8197 8.2385 8.2385 8.2397 8.2397 8.7200 8.7200 8.7362 8.7362 9.6669 9.6669 9.6847 9.6847 10.3171 10.3171 10.3332 10.3332 10.8990 10.8990 10.9165 10.9165 12.3282 12.3282 12.3510 12.3510 13.7247 13.7247 13.7453 13.7453 k = 0.5000 0.0942-0.0000 ( 2716 PWs) bands (ev): 0.5920 0.5920 0.5924 0.5924 3.8672 3.8672 3.8725 3.8725 5.3396 5.3396 5.3432 5.3432 6.7987 6.7987 6.8073 6.8073 8.2020 8.2020 8.2034 8.2034 8.6889 8.6889 8.7059 8.7059 9.6790 9.6790 9.6988 9.6988 10.2933 10.2933 10.3109 10.3109 10.8925 10.8925 10.9116 10.9116 12.3543 12.3543 12.3779 12.3779 13.7175 13.7175 13.7381 13.7381 k = 0.5000 0.1027-0.0000 ( 2716 PWs) bands (ev): 0.5961 0.5961 0.5966 0.5966 3.8535 3.8535 3.8590 3.8590 5.3805 5.3805 5.3845 5.3845 6.7840 6.7840 6.7929 6.7929 8.1677 8.1677 8.1692 8.1692 8.6578 8.6578 8.6758 8.6758 9.6783 9.6783 9.7001 9.7001 10.2764 10.2764 10.2957 10.2957 10.8863 10.8863 10.9071 10.9071 12.3813 12.3813 12.4054 12.4054 13.7115 13.7115 13.7322 13.7322 k = 0.5000 0.1113-0.0000 ( 2720 PWs) bands (ev): 0.6004 0.6004 0.6010 0.6010 3.8397 3.8397 3.8455 3.8455 5.4233 5.4233 5.4278 5.4278 6.7676 6.7676 6.7768 6.7768 8.1359 8.1359 8.1375 8.1375 8.6266 8.6266 8.6455 8.6455 9.6650 9.6650 9.6886 9.6886 10.2664 10.2664 10.2879 10.2879 10.8807 10.8807 10.9032 10.9032 12.4088 12.4088 12.4331 12.4331 13.7068 13.7068 13.7274 13.7274 k = 0.5000 0.1198-0.0000 ( 2722 PWs) bands (ev): 0.6049 0.6049 0.6054 0.6054 3.8262 3.8262 3.8323 3.8323 5.4677 5.4677 5.4726 5.4726 6.7495 6.7495 6.7588 6.7588 8.1069 8.1069 8.1087 8.1087 8.5954 8.5954 8.6149 8.6149 9.6405 9.6405 9.6658 9.6658 10.2621 10.2621 10.2862 10.2862 10.8759 10.8759 10.9002 10.9002 12.4366 12.4366 12.4609 12.4609 13.7032 13.7032 13.7238 13.7238 k = 0.5000 0.1284-0.0000 ( 2730 PWs) bands (ev): 0.6094 0.6094 0.6100 0.6100 3.8130 3.8130 3.8193 3.8193 5.5135 5.5135 5.5189 5.5189 6.7297 6.7297 6.7392 6.7392 8.0807 8.0807 8.0828 8.0828 8.5641 8.5641 8.5842 8.5842 9.6070 9.6070 9.6336 9.6336 10.2620 10.2620 10.2890 10.2890 10.8720 10.8720 10.8981 10.8981 12.4644 12.4644 12.4884 12.4884 13.7008 13.7008 13.7212 13.7212 k = 0.5000 0.1370-0.0000 ( 2738 PWs) bands (ev): 0.6141 0.6141 0.6147 0.6147 3.8003 3.8003 3.8068 3.8068 5.5604 5.5604 5.5662 5.5662 6.7086 6.7086 6.7181 6.7181 8.0573 8.0573 8.0597 8.0597 8.5331 8.5331 8.5536 8.5536 9.5668 9.5668 9.5946 9.5946 10.2643 10.2643 10.2942 10.2942 10.8692 10.8692 10.8971 10.8971 12.4919 12.4919 12.5156 12.5156 13.6993 13.6993 13.7196 13.7196 k = 0.5000 0.1455-0.0000 ( 2738 PWs) bands (ev): 0.6187 0.6187 0.6194 0.6194 3.7881 3.7881 3.7947 3.7947 5.6081 5.6081 5.6144 5.6144 6.6863 6.6863 6.6958 6.6958 8.0361 8.0361 8.0391 8.0391 8.5029 8.5029 8.5235 8.5235 9.5218 9.5218 9.5508 9.5508 10.2674 10.2674 10.3003 10.3003 10.8676 10.8676 10.8971 10.8971 12.5190 12.5190 12.5420 12.5420 13.6986 13.6986 13.7188 13.7188 k = 0.5000 0.1541-0.0000 ( 2742 PWs) bands (ev): 0.6233 0.6233 0.6240 0.6240 3.7764 3.7764 3.7833 3.7833 5.6564 5.6564 5.6631 5.6631 6.6631 6.6631 6.6725 6.6725 8.0167 8.0167 8.0204 8.0204 8.4739 8.4739 8.4944 8.4944 9.4740 9.4740 9.5040 9.5040 10.2704 10.2704 10.3061 10.3061 10.8671 10.8671 10.8982 10.8982 12.5452 12.5452 12.5676 12.5676 13.6987 13.6987 13.7188 13.7188 k = 0.5000 0.1626-0.0000 ( 2738 PWs) bands (ev): 0.6279 0.6279 0.6285 0.6285 3.7654 3.7654 3.7724 3.7724 5.7048 5.7048 5.7120 5.7120 6.6393 6.6393 6.6485 6.6485 7.9985 7.9985 8.0031 8.0031 8.4469 8.4469 8.4670 8.4670 9.4245 9.4245 9.4556 9.4556 10.2727 10.2727 10.3111 10.3111 10.8678 10.8678 10.9002 10.9002 12.5703 12.5703 12.5920 12.5920 13.6994 13.6994 13.7193 13.7193 k = 0.5000 0.1712-0.0000 ( 2738 PWs) bands (ev): 0.6323 0.6323 0.6330 0.6330 3.7552 3.7552 3.7623 3.7623 5.7532 5.7532 5.7608 5.7608 6.6152 6.6152 6.6243 6.6243 7.9806 7.9806 7.9865 7.9865 8.4227 8.4227 8.4420 8.4420 9.3745 9.3745 9.4066 9.4066 10.2740 10.2740 10.3147 10.3147 10.8693 10.8693 10.9028 10.9028 12.5941 12.5941 12.6150 12.6150 13.7005 13.7005 13.7204 13.7204 k = 0.5000 0.1798-0.0000 ( 2738 PWs) bands (ev): 0.6365 0.6365 0.6373 0.6373 3.7457 3.7457 3.7529 3.7529 5.8010 5.8010 5.8091 5.8091 6.5911 6.5911 6.6001 6.6001 7.9625 7.9625 7.9699 7.9699 8.4020 8.4020 8.4202 8.4202 9.3247 9.3247 9.3578 9.3578 10.2742 10.2742 10.3170 10.3170 10.8715 10.8715 10.9059 10.9059 12.6164 12.6164 12.6366 12.6366 13.7020 13.7020 13.7217 13.7217 k = 0.5000 0.1883-0.0000 ( 2738 PWs) bands (ev): 0.6406 0.6406 0.6413 0.6413 3.7369 3.7369 3.7442 3.7442 5.8480 5.8480 5.8566 5.8566 6.5673 6.5673 6.5762 6.5762 7.9434 7.9434 7.9527 7.9527 8.3854 8.3854 8.4023 8.4023 9.2759 9.2759 9.3100 9.3100 10.2734 10.2734 10.3181 10.3181 10.8742 10.8742 10.9094 10.9094 12.6371 12.6371 12.6564 12.6564 13.7037 13.7037 13.7233 13.7233 k = 0.5000 0.1969-0.0000 ( 2738 PWs) bands (ev): 0.6444 0.6444 0.6451 0.6451 3.7290 3.7290 3.7363 3.7363 5.8937 5.8937 5.9028 5.9028 6.5442 6.5442 6.5530 6.5530 7.9233 7.9233 7.9344 7.9344 8.3733 8.3733 8.3888 8.3888 9.2287 9.2287 9.2637 9.2637 10.2719 10.2719 10.3181 10.3181 10.8772 10.8772 10.9129 10.9129 12.6560 12.6560 12.6746 12.6746 13.7055 13.7055 13.7250 13.7250 k = 0.5000 0.2054-0.0000 ( 2742 PWs) bands (ev): 0.6479 0.6479 0.6487 0.6487 3.7218 3.7218 3.7293 3.7293 5.9376 5.9376 5.9472 5.9472 6.5219 6.5219 6.5307 6.5307 7.9020 7.9020 7.9152 7.9152 8.3657 8.3657 8.3798 8.3798 9.1836 9.1836 9.2196 9.2196 10.2698 10.2698 10.3173 10.3173 10.8803 10.8803 10.9164 10.9164 12.6729 12.6729 12.6909 12.6909 13.7073 13.7073 13.7267 13.7267 k = 0.5000 0.2140-0.0000 ( 2744 PWs) bands (ev): 0.6511 0.6511 0.6519 0.6519 3.7155 3.7155 3.7230 3.7230 5.9792 5.9792 5.9893 5.9893 6.5008 6.5008 6.5097 6.5097 7.8802 7.8802 7.8952 7.8952 8.3622 8.3622 8.3750 8.3750 9.1413 9.1413 9.1783 9.1783 10.2675 10.2675 10.3160 10.3160 10.8834 10.8834 10.9198 10.9198 12.6879 12.6879 12.7052 12.7052 13.7091 13.7091 13.7284 13.7284 k = 0.5000 0.2226-0.0000 ( 2740 PWs) bands (ev): 0.6539 0.6539 0.6547 0.6547 3.7100 3.7100 3.7176 3.7176 6.0179 6.0179 6.0286 6.0286 6.4811 6.4811 6.4902 6.4902 7.8585 7.8585 7.8752 7.8752 8.3622 8.3622 8.3740 8.3740 9.1022 9.1022 9.1403 9.1403 10.2650 10.2650 10.3144 10.3144 10.8864 10.8864 10.9229 10.9229 12.7009 12.7009 12.7177 12.7177 13.7109 13.7109 13.7300 13.7300 k = 0.5000 0.2311-0.0000 ( 2740 PWs) bands (ev): 0.6564 0.6564 0.6572 0.6572 3.7054 3.7054 3.7130 3.7130 6.0530 6.0530 6.0643 6.0643 6.4630 6.4630 6.4723 6.4723 7.8379 7.8379 7.8560 7.8560 8.3648 8.3648 8.3757 8.3757 9.0672 9.0672 9.1063 9.1063 10.2626 10.2626 10.3127 10.3127 10.8890 10.8890 10.9257 10.9257 12.7120 12.7120 12.7283 12.7283 13.7124 13.7124 13.7315 13.7315 k = 0.5000 0.2397-0.0000 ( 2740 PWs) bands (ev): 0.6584 0.6584 0.6592 0.6592 3.7016 3.7016 3.7092 3.7092 6.0836 6.0836 6.0957 6.0957 6.4468 6.4468 6.4566 6.4566 7.8193 7.8193 7.8386 7.8386 8.3689 8.3689 8.3794 8.3794 9.0370 9.0370 9.0770 9.0770 10.2604 10.2604 10.3111 10.3111 10.8912 10.8912 10.9280 10.9280 12.7210 12.7210 12.7369 12.7369 13.7137 13.7137 13.7328 13.7328 k = 0.5000 0.2482-0.0000 ( 2740 PWs) bands (ev): 0.6600 0.6600 0.6608 0.6608 3.6987 3.6987 3.7063 3.7063 6.1091 6.1091 6.1219 6.1219 6.4331 6.4331 6.4434 6.4434 7.8037 7.8037 7.8238 7.8238 8.3735 8.3735 8.3838 8.3838 9.0122 9.0122 9.0531 9.0531 10.2586 10.2586 10.3097 10.3097 10.8930 10.8930 10.9298 10.9298 12.7280 12.7280 12.7436 12.7436 13.7148 13.7148 13.7338 13.7338 k = 0.5000 0.2568-0.0000 ( 2732 PWs) bands (ev): 0.6612 0.6612 0.6620 0.6620 3.6965 3.6965 3.7042 3.7042 6.1284 6.1284 6.1418 6.1418 6.4224 6.4224 6.4333 6.4333 7.7919 7.7919 7.8127 7.8127 8.3778 8.3778 8.3879 8.3879 8.9938 8.9938 9.0354 9.0354 10.2573 10.2573 10.3086 10.3086 10.8944 10.8944 10.9312 10.9312 12.7330 12.7330 12.7484 12.7484 13.7157 13.7157 13.7346 13.7346 k = 0.5000 0.2654-0.0000 ( 2736 PWs) bands (ev): 0.6619 0.6619 0.6627 0.6627 3.6953 3.6953 3.7029 3.7029 6.1404 6.1404 6.1544 6.1544 6.4155 6.4155 6.4268 6.4268 7.7846 7.7846 7.8057 7.8057 8.3806 8.3806 8.3908 8.3908 8.9825 8.9825 9.0245 9.0245 10.2564 10.2564 10.3079 10.3079 10.8952 10.8952 10.9320 10.9320 12.7360 12.7360 12.7512 12.7512 13.7161 13.7161 13.7350 13.7350 k = 0.5000 0.2739-0.0000 ( 2732 PWs) bands (ev): 0.6621 0.6621 0.6629 0.6629 3.6949 3.6949 3.7025 3.7025 6.1446 6.1446 6.1588 6.1588 6.4131 6.4131 6.4246 6.4246 7.7821 7.7821 7.8033 7.8033 8.3817 8.3817 8.3918 8.3918 8.9786 8.9786 9.0208 9.0208 10.2561 10.2561 10.3077 10.3077 10.8955 10.8955 10.9323 10.9323 12.7370 12.7370 12.7522 12.7522 13.7163 13.7163 13.7352 13.7352 k = 0.5000 0.2739-0.0000 ( 2732 PWs) bands (ev): 0.6621 0.6621 0.6629 0.6629 3.6949 3.6949 3.7025 3.7025 6.1446 6.1446 6.1588 6.1588 6.4131 6.4131 6.4246 6.4246 7.7821 7.7821 7.8033 7.8033 8.3817 8.3817 8.3918 8.3918 8.9786 8.9786 9.0208 9.0208 10.2561 10.2561 10.3077 10.3077 10.8955 10.8955 10.9323 10.9323 12.7370 12.7370 12.7522 12.7522 13.7163 13.7163 13.7352 13.7352 k = 0.4914 0.2739-0.0000 ( 2728 PWs) bands (ev): 0.6578 0.6578 0.6585 0.6585 3.6951 3.6951 3.7028 3.7028 6.1229 6.1229 6.1364 6.1364 6.4405 6.4405 6.4527 6.4527 7.7771 7.7771 7.7985 7.7985 8.3814 8.3814 8.3914 8.3914 8.9846 8.9846 9.0268 9.0268 10.2565 10.2565 10.3080 10.3080 10.8953 10.8953 10.9321 10.9321 12.7368 12.7368 12.7521 12.7521 13.7175 13.7175 13.7364 13.7364 k = 0.4828 0.2739-0.0000 ( 2734 PWs) bands (ev): 0.6447 0.6447 0.6454 0.6454 3.6958 3.6958 3.7036 3.7036 6.0750 6.0750 6.0872 6.0872 6.5055 6.5055 6.5190 6.5190 7.7623 7.7623 7.7841 7.7841 8.3807 8.3807 8.3904 8.3904 9.0020 9.0020 9.0442 9.0442 10.2575 10.2575 10.3088 10.3088 10.8946 10.8946 10.9313 10.9313 12.7362 12.7362 12.7517 12.7517 13.7211 13.7211 13.7399 13.7399 k = 0.4741 0.2739-0.0000 ( 2746 PWs) bands (ev): 0.6231 0.6231 0.6239 0.6239 3.6961 3.6961 3.7042 3.7042 6.0214 6.0214 6.0325 6.0325 6.5875 6.5875 6.6021 6.6021 7.7389 7.7389 7.7614 7.7614 8.3806 8.3806 8.3898 8.3898 9.0292 9.0292 9.0714 9.0714 10.2593 10.2593 10.3102 10.3102 10.8934 10.8934 10.9300 10.9300 12.7352 12.7352 12.7510 12.7510 13.7270 13.7270 13.7456 13.7456 k = 0.4655 0.2739-0.0000 ( 2750 PWs) bands (ev): 0.5936 0.5936 0.5943 0.5943 3.6953 3.6953 3.7037 3.7037 5.9715 5.9715 5.9815 5.9815 6.6768 6.6768 6.6925 6.6925 7.7088 7.7088 7.7319 7.7319 8.3819 8.3819 8.3904 8.3904 9.0642 9.0642 9.1065 9.1065 10.2620 10.2620 10.3123 10.3123 10.8918 10.8918 10.9282 10.9282 12.7341 12.7341 12.7504 12.7504 13.7352 13.7352 13.7537 13.7537 k = 0.4569 0.2739-0.0000 ( 2746 PWs) bands (ev): 0.5566 0.5566 0.5573 0.5573 3.6920 3.6920 3.7008 3.7008 5.9296 5.9296 5.9385 5.9385 6.7685 6.7685 6.7850 6.7850 7.6746 7.6746 7.6983 7.6983 8.3854 8.3854 8.3933 8.3933 9.1050 9.1050 9.1474 9.1474 10.2656 10.2656 10.3152 10.3152 10.8898 10.8898 10.9259 10.9259 12.7329 12.7329 12.7497 12.7497 13.7456 13.7456 13.7638 13.7638 k = 0.4483 0.2739-0.0000 ( 2742 PWs) bands (ev): 0.5128 0.5128 0.5135 0.5135 3.6851 3.6851 3.6942 3.6942 5.8978 5.8978 5.9058 5.9058 6.8585 6.8585 6.8756 6.8756 7.6401 7.6401 7.6641 7.6641 8.3916 8.3916 8.3990 8.3990 9.1495 9.1495 9.1919 9.1919 10.2700 10.2700 10.3187 10.3187 10.8872 10.8872 10.9231 10.9231 12.7319 12.7319 12.7493 12.7493 13.7581 13.7581 13.7759 13.7759 k = 0.4397 0.2739-0.0000 ( 2742 PWs) bands (ev): 0.4629 0.4629 0.4635 0.4635 3.6732 3.6732 3.6827 3.6827 5.8775 5.8775 5.8847 5.8847 6.9422 6.9422 6.9590 6.9590 7.6107 7.6107 7.6340 7.6340 8.4010 8.4010 8.4078 8.4078 9.1960 9.1960 9.2384 9.2384 10.2756 10.2756 10.3231 10.3231 10.8842 10.8842 10.9197 10.9197 12.7311 12.7311 12.7492 12.7492 13.7724 13.7724 13.7898 13.7898 k = 0.4310 0.2739-0.0000 ( 2740 PWs) bands (ev): 0.4076 0.4076 0.4082 0.4082 3.6552 3.6552 3.6652 3.6652 5.8694 5.8694 5.8759 5.8759 7.0131 7.0131 7.0281 7.0281 7.5941 7.5941 7.6152 7.6152 8.4136 8.4136 8.4201 8.4201 9.2433 9.2433 9.2854 9.2854 10.2823 10.2823 10.3284 10.3284 10.8806 10.8806 10.9157 10.9157 12.7308 12.7308 12.7497 12.7497 13.7884 13.7884 13.8052 13.8052 k = 0.4224 0.2739-0.0000 ( 2748 PWs) bands (ev): 0.3476 0.3476 0.3481 0.3481 3.6306 3.6306 3.6409 3.6409 5.8735 5.8735 5.8794 5.8794 7.0632 7.0632 7.0739 7.0739 7.5998 7.5998 7.6162 7.6162 8.4298 8.4298 8.4359 8.4359 9.2901 9.2901 9.3319 9.3319 10.2903 10.2903 10.3347 10.3347 10.8765 10.8765 10.9113 10.9113 12.7312 12.7312 12.7508 12.7508 13.8056 13.8056 13.8216 13.8216 k = 0.4138 0.2739-0.0000 ( 2744 PWs) bands (ev): 0.2836 0.2836 0.2840 0.2840 3.5989 3.5989 3.6096 3.6096 5.8891 5.8891 5.8945 5.8945 7.0867 7.0867 7.0911 7.0911 7.6340 7.6340 7.6437 7.6437 8.4499 8.4499 8.4557 8.4557 9.3355 9.3355 9.3768 9.3768 10.2996 10.2996 10.3421 10.3421 10.8718 10.8718 10.9062 10.9062 12.7327 12.7327 12.7532 12.7532 13.8238 13.8238 13.8389 13.8389 k = 0.4052 0.2739-0.0000 ( 2748 PWs) bands (ev): 0.2162 0.2162 0.2166 0.2166 3.5602 3.5602 3.5711 3.5711 5.9147 5.9147 5.9198 5.9198 7.0831 7.0831 7.0852 7.0852 7.6937 7.6937 7.6965 7.6965 8.4741 8.4741 8.4796 8.4796 9.3790 9.3790 9.4195 9.4195 10.3104 10.3104 10.3506 10.3506 10.8666 10.8666 10.9007 10.9007 12.7356 12.7356 12.7569 12.7569 13.8425 13.8425 13.8563 13.8563 k = 0.3966 0.2739-0.0000 ( 2754 PWs) bands (ev): 0.1460 0.1460 0.1464 0.1464 3.5148 3.5148 3.5259 3.5259 5.9481 5.9481 5.9530 5.9530 7.0601 7.0601 7.0672 7.0672 7.7673 7.7673 7.7699 7.7699 8.5029 8.5029 8.5082 8.5082 9.4199 9.4199 9.4593 9.4593 10.3226 10.3226 10.3602 10.3602 10.8609 10.8609 10.8946 10.8946 12.7402 12.7402 12.7623 12.7623 13.8611 13.8611 13.8734 13.8734 k = 0.3879 0.2739-0.0000 ( 2750 PWs) bands (ev): 0.0736 0.0736 0.0739 0.0739 3.4634 3.4634 3.4746 3.4746 5.9863 5.9863 5.9911 5.9911 7.0317 7.0317 7.0424 7.0424 7.8476 7.8476 7.8542 7.8542 8.5372 8.5372 8.5420 8.5420 9.4580 9.4580 9.4961 9.4961 10.3362 10.3362 10.3710 10.3710 10.8546 10.8546 10.8881 10.8881 12.7469 12.7469 12.7698 12.7698 13.8789 13.8789 13.8894 13.8894 k = 0.3793 0.2739-0.0000 ( 2750 PWs) bands (ev): -0.0005 -0.0005 -0.0003 -0.0003 3.4067 3.4067 3.4179 3.4179 6.0253 6.0253 6.0299 6.0299 7.0058 7.0058 7.0190 7.0190 7.9313 7.9313 7.9405 7.9405 8.5774 8.5774 8.5817 8.5817 9.4931 9.4931 9.5296 9.5296 10.3511 10.3511 10.3829 10.3829 10.8479 10.8479 10.8811 10.8811 12.7561 12.7561 12.7796 12.7796 13.8951 13.8951 13.9035 13.9035 k = 0.3707 0.2739-0.0000 ( 2766 PWs) bands (ev): -0.0760 -0.0760 -0.0757 -0.0757 3.3456 3.3456 3.3567 3.3567 6.0604 6.0604 6.0647 6.0647 6.9892 6.9892 7.0039 7.0039 8.0139 8.0139 8.0249 8.0249 8.6243 8.6243 8.6278 8.6278 9.5251 9.5251 9.5598 9.5598 10.3671 10.3671 10.3957 10.3957 10.8408 10.8408 10.8738 10.8738 12.7680 12.7680 12.7920 12.7920 13.9089 13.9089 13.9150 13.9150 k = 0.3621 0.2739-0.0000 ( 2766 PWs) bands (ev): -0.1523 -0.1523 -0.1521 -0.1521 3.2808 3.2808 3.2919 3.2919 6.0865 6.0865 6.0902 6.0902 6.9876 6.9876 7.0030 7.0030 8.0928 8.0928 8.1047 8.1047 8.6783 8.6783 8.6807 8.6807 9.5543 9.5543 9.5870 9.5870 10.3842 10.3842 10.4095 10.4095 10.8334 10.8334 10.8662 10.8662 12.7832 12.7832 12.8075 12.8075 13.9196 13.9196 13.9230 13.9230 k = 0.3534 0.2739-0.0000 ( 2766 PWs) bands (ev): -0.2292 -0.2292 -0.2290 -0.2290 3.2131 3.2131 3.2240 3.2240 6.0991 6.0991 6.1018 6.1018 7.0055 7.0055 7.0207 7.0207 8.1662 8.1662 8.1784 8.1784 8.7394 8.7394 8.7404 8.7404 9.5808 9.5808 9.6113 9.6113 10.4020 10.4020 10.4240 10.4240 10.8257 10.8257 10.8584 10.8584 12.8020 12.8020 12.8265 12.8265 13.9263 13.9263 13.9267 13.9267 k = 0.3448 0.2739-0.0000 ( 2766 PWs) bands (ev): -0.3063 -0.3063 -0.3061 -0.3061 3.1432 3.1432 3.1540 3.1540 6.0960 6.0960 6.0974 6.0974 7.0447 7.0447 7.0592 7.0592 8.2336 8.2336 8.2456 8.2456 8.8060 8.8060 8.8067 8.8067 9.6051 9.6051 9.6333 9.6333 10.4204 10.4204 10.4391 10.4391 10.8180 10.8180 10.8507 10.8507 12.8248 12.8248 12.8491 12.8491 13.9258 13.9258 13.9284 13.9284 k = 0.3362 0.2739-0.0000 ( 2762 PWs) bands (ev): -0.3833 -0.3833 -0.3832 -0.3832 3.0718 3.0718 3.0824 3.0824 6.0774 6.0774 6.0774 6.0774 7.1040 7.1040 7.1175 7.1175 8.2952 8.2952 8.3066 8.3066 8.8763 8.8763 8.8787 8.8787 9.6276 9.6276 9.6534 9.6534 10.4393 10.4393 10.4549 10.4549 10.8104 10.8104 10.8430 10.8430 12.8517 12.8517 12.8756 12.8756 13.9200 13.9200 13.9258 13.9258 k = 0.3276 0.2739-0.0000 ( 2754 PWs) bands (ev): -0.4600 -0.4600 -0.4599 -0.4599 2.9993 2.9993 3.0097 3.0097 6.0443 6.0443 6.0457 6.0457 7.1804 7.1804 7.1927 7.1927 8.3518 8.3518 8.3626 8.3626 8.9492 8.9492 8.9532 8.9532 9.6488 9.6488 9.6721 9.6721 10.4585 10.4585 10.4712 10.4712 10.8030 10.8030 10.8357 10.8357 12.8829 12.8829 12.9062 12.9062 13.9096 13.9096 13.9185 13.9185 k = 0.3190 0.2739-0.0000 ( 2754 PWs) bands (ev): -0.5362 -0.5362 -0.5361 -0.5361 2.9262 2.9262 2.9364 2.9364 6.0012 6.0012 6.0039 6.0039 7.2698 7.2698 7.2810 7.2810 8.4046 8.4046 8.4146 8.4146 9.0227 9.0227 9.0281 9.0281 9.6694 9.6694 9.6900 9.6900 10.4781 10.4781 10.4882 10.4882 10.7960 10.7960 10.8287 10.8287 12.9186 12.9186 12.9409 12.9409 13.8952 13.8952 13.9070 13.9070 k = 0.3103 0.2739-0.0000 ( 2752 PWs) bands (ev): -0.6117 -0.6117 -0.6116 -0.6116 2.8529 2.8529 2.8629 2.8629 5.9510 5.9510 5.9547 5.9547 7.3685 7.3685 7.3787 7.3787 8.4547 8.4547 8.4639 8.4639 9.0948 9.0948 9.1013 9.1013 9.6898 9.6898 9.7077 9.7077 10.4982 10.4982 10.5059 10.5059 10.7896 10.7896 10.8223 10.8223 12.9587 12.9587 12.9795 12.9795 13.8779 13.8779 13.8925 13.8925 k = 0.3017 0.2739-0.0000 ( 2740 PWs) bands (ev): -0.6863 -0.6863 -0.6862 -0.6862 2.7799 2.7799 2.7896 2.7896 5.8960 5.8960 5.9004 5.9004 7.4733 7.4733 7.4826 7.4826 8.5031 8.5031 8.5116 8.5116 9.1641 9.1641 9.1712 9.1712 9.7106 9.7106 9.7257 9.7257 10.5191 10.5191 10.5245 10.5245 10.7841 10.7841 10.8167 10.8167 13.0029 13.0029 13.0220 13.0220 13.8591 13.8591 13.8763 13.8763 k = 0.2931 0.2739-0.0000 ( 2740 PWs) bands (ev): -0.7598 -0.7598 -0.7597 -0.7597 2.7073 2.7073 2.7168 2.7168 5.8377 5.8377 5.8428 5.8428 7.5814 7.5814 7.5899 7.5899 8.5506 8.5506 8.5584 8.5584 9.2291 9.2291 9.2365 9.2365 9.7319 9.7319 9.7441 9.7441 10.5409 10.5409 10.5443 10.5443 10.7795 10.7795 10.8119 10.8119 13.0507 13.0507 13.0677 13.0677 13.8406 13.8406 13.8602 13.8602 k = 0.2845 0.2739-0.0000 ( 2740 PWs) bands (ev): -0.8321 -0.8321 -0.8320 -0.8320 2.6354 2.6354 2.6446 2.6446 5.7776 5.7776 5.7831 5.7831 7.6904 7.6904 7.6982 7.6982 8.5977 8.5977 8.6048 8.6048 9.2895 9.2895 9.2967 9.2967 9.7539 9.7539 9.7631 9.7631 10.5640 10.5640 10.5656 10.5656 10.7762 10.7762 10.8081 10.8081 13.1011 13.1011 13.1155 13.1155 13.8245 13.8245 13.8465 13.8465 k = 0.2759 0.2739-0.0000 ( 2742 PWs) bands (ev): -0.9031 -0.9031 -0.9030 -0.9030 2.5645 2.5645 2.5735 2.5735 5.7164 5.7164 5.7223 5.7223 7.7982 7.7982 7.8053 7.8053 8.6448 8.6448 8.6512 8.6512 9.3453 9.3453 9.3520 9.3520 9.7761 9.7761 9.7823 9.7823 10.5885 10.5885 10.5887 10.5887 10.7745 10.7745 10.8054 10.8054 13.1524 13.1524 13.1640 13.1640 13.8136 13.8136 13.8377 13.8377 k = 0.2672 0.2739-0.0000 ( 2742 PWs) bands (ev): -0.9726 -0.9726 -0.9725 -0.9725 2.4947 2.4947 2.5034 2.5034 5.6548 5.6548 5.6610 5.6610 7.9030 7.9030 7.9094 7.9094 8.6918 8.6918 8.6976 8.6976 9.3974 9.3974 9.4035 9.4035 9.7978 9.7978 9.8015 9.8015 10.6128 10.6128 10.6151 10.6151 10.7748 10.7748 10.8042 10.8042 13.2026 13.2026 13.2112 13.2112 13.8109 13.8109 13.8369 13.8369 k = 0.2586 0.2739-0.0000 ( 2738 PWs) bands (ev): -1.0406 -1.0406 -1.0405 -1.0405 2.4262 2.4262 2.4347 2.4347 5.5934 5.5934 5.5997 5.5997 8.0030 8.0030 8.0087 8.0087 8.7386 8.7386 8.7436 8.7436 9.4470 9.4470 9.4527 9.4527 9.8185 9.8185 9.8200 9.8200 10.6379 10.6379 10.6428 10.6428 10.7780 10.7780 10.8049 10.8049 13.2487 13.2487 13.2546 13.2546 13.8202 13.8202 13.8475 13.8475 k = 0.2500 0.2739-0.0000 ( 2746 PWs) bands (ev): -1.1070 -1.1070 -1.1069 -1.1069 2.3592 2.3592 2.3674 2.3674 5.5326 5.5326 5.5390 5.5390 8.0969 8.0969 8.1019 8.1019 8.7844 8.7844 8.7886 8.7886 9.4959 9.4959 9.5015 9.5015 9.8375 9.8375 9.8375 9.8375 10.6621 10.6621 10.6708 10.6708 10.7854 10.7854 10.8083 10.8083 13.2881 13.2881 13.2919 13.2919 13.8447 13.8447 13.8723 13.8723 k = 0.2414 0.2739-0.0000 ( 2742 PWs) bands (ev): -1.1716 -1.1716 -1.1715 -1.1715 2.2937 2.2937 2.3016 2.3016 5.4726 5.4726 5.4790 5.4790 8.1837 8.1837 8.1879 8.1879 8.8282 8.8282 8.8314 8.8314 9.5456 9.5456 9.5517 9.5517 9.8540 9.8540 9.8546 9.8546 10.6835 10.6835 10.6975 10.6975 10.7990 10.7990 10.8160 10.8160 13.3191 13.3191 13.3218 13.3218 13.8866 13.8866 13.9131 13.9131 k = 0.2328 0.2739-0.0000 ( 2740 PWs) bands (ev): -1.2345 -1.2345 -1.2343 -1.2343 2.2300 2.2300 2.2376 2.2376 5.4137 5.4137 5.4201 5.4201 8.2630 8.2630 8.2664 8.2664 8.8686 8.8686 8.8708 8.8708 9.5970 9.5970 9.6045 9.6045 9.8701 9.8701 9.8701 9.8701 10.7001 10.7001 10.7201 10.7201 10.8201 10.8201 10.8301 10.8301 13.3424 13.3424 13.3449 13.3449 13.9454 13.9454 13.9698 13.9698 k = 0.2241 0.2739-0.0000 ( 2742 PWs) bands (ev): -1.2955 -1.2955 -1.2953 -1.2953 2.1680 2.1680 2.1753 2.1753 5.3560 5.3560 5.3624 5.3624 8.3345 8.3345 8.3372 8.3372 8.9044 8.9044 8.9056 8.9056 9.6498 9.6498 9.6599 9.6599 9.8852 9.8852 9.8871 9.8871 10.7119 10.7119 10.7368 10.7368 10.8480 10.8480 10.8520 10.8520 13.3605 13.3605 13.3635 13.3635 14.0190 14.0190 14.0402 14.0402 k = 0.2155 0.2739-0.0000 ( 2742 PWs) bands (ev): -1.3545 -1.3545 -1.3544 -1.3544 2.1078 2.1078 2.1149 2.1149 5.2999 5.2999 5.3062 5.3062 8.3987 8.3987 8.4007 8.4007 8.9348 8.9348 8.9349 8.9349 9.7014 9.7014 9.7158 9.7158 9.9023 9.9023 9.9081 9.9081 10.7206 10.7206 10.7480 10.7480 10.8805 10.8805 10.8807 10.8807 13.3767 13.3767 13.3804 13.3804 14.1038 14.1038 14.1213 14.1213 k = 0.2069 0.2739-0.0000 ( 2746 PWs) bands (ev): -1.4116 -1.4116 -1.4115 -1.4115 2.0496 2.0496 2.0564 2.0564 5.2453 5.2453 5.2515 5.2515 8.4560 8.4560 8.4575 8.4575 8.9585 8.9585 8.9594 8.9594 9.7474 9.7474 9.7675 9.7675 9.9259 9.9259 9.9372 9.9372 10.7279 10.7279 10.7559 10.7559 10.9135 10.9135 10.9155 10.9155 13.3943 13.3943 13.3988 13.3988 14.1964 14.1964 14.2099 14.2099 k = 0.1983 0.2739-0.0000 ( 2750 PWs) bands (ev): -1.4667 -1.4667 -1.4665 -1.4665 1.9935 1.9935 2.0000 2.0000 5.1923 5.1923 5.1984 5.1984 8.5072 8.5072 8.5081 8.5081 8.9764 8.9764 8.9782 8.9782 9.7828 9.7828 9.8079 9.8079 9.9619 9.9619 9.9783 9.9783 10.7349 10.7349 10.7623 10.7623 10.9481 10.9481 10.9512 10.9512 13.4158 13.4158 13.4210 13.4210 14.2936 14.2936 14.3028 14.3028 k = 0.1897 0.2739-0.0000 ( 2750 PWs) bands (ev): -1.5196 -1.5196 -1.5195 -1.5195 1.9393 1.9393 1.9456 1.9456 5.1412 5.1412 5.1472 5.1472 8.5529 8.5529 8.5532 8.5532 8.9892 8.9892 8.9918 8.9918 9.8070 9.8070 9.8342 9.8342 10.0116 10.0116 10.0304 10.0304 10.7425 10.7425 10.7684 10.7684 10.9831 10.9831 10.9866 10.9866 13.4436 13.4436 13.4494 13.4494 14.3921 14.3921 14.3970 14.3970 k = 0.1810 0.2739-0.0000 ( 2750 PWs) bands (ev): -1.5705 -1.5705 -1.5703 -1.5703 1.8874 1.8874 1.8933 1.8933 5.0920 5.0920 5.0978 5.0978 8.5936 8.5936 8.5937 8.5937 8.9976 8.9976 9.0009 9.0009 9.8235 9.8235 9.8507 9.8507 10.0689 10.0689 10.0887 10.0887 10.7513 10.7513 10.7750 10.7750 11.0172 11.0172 11.0208 11.0208 13.4796 13.4796 13.4856 13.4856 14.4890 14.4890 14.4896 14.4896 k = 0.1724 0.2739-0.0000 ( 2754 PWs) bands (ev): -1.6192 -1.6192 -1.6190 -1.6190 1.8375 1.8375 1.8432 1.8432 5.0447 5.0447 5.0503 5.0503 8.6295 8.6295 8.6301 8.6301 9.0022 9.0022 9.0061 9.0061 9.8358 9.8358 9.8625 9.8625 10.1272 10.1272 10.1476 10.1476 10.7615 10.7615 10.7824 10.7824 11.0501 11.0501 11.0535 11.0535 13.5249 13.5249 13.5311 13.5311 14.5777 14.5777 14.5812 14.5812 k = 0.1638 0.2739-0.0000 ( 2750 PWs) bands (ev): -1.6657 -1.6657 -1.6656 -1.6656 1.7899 1.7899 1.7953 1.7953 4.9994 4.9994 5.0048 5.0048 8.6615 8.6615 8.6624 8.6624 9.0038 9.0038 9.0082 9.0082 9.8465 9.8465 9.8727 9.8727 10.1819 10.1819 10.2036 10.2036 10.7733 10.7733 10.7907 10.7907 11.0813 11.0813 11.0843 11.0843 13.5808 13.5808 13.5870 13.5870 14.6587 14.6587 14.6660 14.6660 k = 0.1552 0.2739-0.0000 ( 2758 PWs) bands (ev): -1.7100 -1.7100 -1.7099 -1.7099 1.7446 1.7446 1.7497 1.7497 4.9562 4.9562 4.9614 4.9614 8.6898 8.6898 8.6911 8.6911 9.0030 9.0030 9.0077 9.0077 9.8570 9.8570 9.8829 9.8829 10.2306 10.2306 10.2541 10.2541 10.7863 10.7863 10.7999 10.7999 11.1106 11.1106 11.1132 11.1132 13.6479 13.6479 13.6538 13.6538 14.7307 14.7307 14.7412 14.7412 k = 0.1466 0.2739-0.0000 ( 2758 PWs) bands (ev): -1.7521 -1.7521 -1.7519 -1.7519 1.7015 1.7015 1.7064 1.7064 4.9151 4.9151 4.9201 4.9201 8.7149 8.7149 8.7164 8.7164 9.0002 9.0002 9.0052 9.0052 9.8684 9.8684 9.8940 9.8940 10.2721 10.2721 10.2978 10.2978 10.8001 10.8001 10.8095 10.8095 11.1382 11.1382 11.1402 11.1402 13.7264 13.7264 13.7319 13.7319 14.7925 14.7925 14.8055 14.8055 k = 0.1379 0.2739-0.0000 ( 2762 PWs) bands (ev): -1.7918 -1.7918 -1.7917 -1.7917 1.6608 1.6608 1.6654 1.6654 4.8762 4.8762 4.8809 4.8809 8.7368 8.7368 8.7385 8.7385 8.9960 8.9960 9.0011 9.0011 9.8811 9.8811 9.9066 9.9066 10.3061 10.3061 10.3343 10.3343 10.8136 10.8136 10.8187 10.8187 11.1642 11.1642 11.1656 11.1656 13.8162 13.8162 13.8213 13.8213 14.8440 14.8440 14.8586 14.8586 k = 0.1293 0.2739-0.0000 ( 2754 PWs) bands (ev): -1.8293 -1.8293 -1.8291 -1.8291 1.6224 1.6224 1.6267 1.6267 4.8395 4.8395 4.8439 4.8439 8.7558 8.7558 8.7578 8.7578 8.9907 8.9907 8.9960 8.9960 9.8955 9.8955 9.9210 9.9210 10.3329 10.3329 10.3637 10.3637 10.8256 10.8256 10.8267 10.8267 11.1888 11.1888 11.1897 11.1897 13.9170 13.9170 13.9214 13.9214 14.8858 14.8858 14.9012 14.9012 k = 0.1207 0.2739-0.0000 ( 2754 PWs) bands (ev): -1.8644 -1.8644 -1.8643 -1.8643 1.5864 1.5864 1.5904 1.5904 4.8050 4.8050 4.8092 4.8092 8.7722 8.7722 8.7743 8.7743 8.9847 8.9847 8.9900 8.9900 9.9117 9.9117 9.9374 9.9374 10.3533 10.3533 10.3867 10.3867 10.8325 10.8325 10.8352 10.8352 11.2122 11.2122 11.2127 11.2127 14.0278 14.0278 14.0316 14.0316 14.9189 14.9189 14.9345 14.9345 k = 0.1121 0.2739-0.0000 ( 2750 PWs) bands (ev): -1.8972 -1.8972 -1.8971 -1.8971 1.5528 1.5528 1.5565 1.5565 4.7728 4.7728 4.7767 4.7767 8.7861 8.7861 8.7883 8.7883 8.9783 8.9783 8.9834 8.9834 9.9299 9.9299 9.9558 9.9558 10.3683 10.3683 10.4041 10.4041 10.8354 10.8354 10.8414 10.8414 11.2346 11.2346 11.2348 11.2348 14.1476 14.1476 14.1506 14.1506 14.9447 14.9447 14.9601 14.9601 k = 0.1034 0.2739-0.0000 ( 2746 PWs) bands (ev): -1.9276 -1.9276 -1.9275 -1.9275 1.5216 1.5216 1.5251 1.5251 4.7429 4.7429 4.7465 4.7465 8.7978 8.7978 8.8001 8.8001 8.9716 8.9716 8.9766 8.9766 9.9499 9.9499 9.9761 9.9761 10.3787 10.3787 10.4169 10.4169 10.8349 10.8349 10.8437 10.8437 11.2560 11.2560 11.2561 11.2561 14.2749 14.2749 14.2771 14.2771 14.9646 14.9646 14.9793 14.9793 k = 0.0948 0.2739-0.0000 ( 2738 PWs) bands (ev): -1.9557 -1.9557 -1.9556 -1.9556 1.4929 1.4929 1.4961 1.4961 4.7153 4.7153 4.7186 4.7186 8.8075 8.8075 8.8098 8.8098 8.9649 8.9649 8.9698 8.9698 9.9717 9.9717 9.9983 9.9983 10.3855 10.3855 10.4257 10.4257 10.8311 10.8311 10.8422 10.8422 11.2765 11.2765 11.2766 11.2766 14.4082 14.4082 14.4096 14.4096 14.9797 14.9797 14.9936 14.9936 k = 0.0862 0.2739-0.0000 ( 2738 PWs) bands (ev): -1.9814 -1.9814 -1.9812 -1.9812 1.4666 1.4666 1.4695 1.4695 4.6901 4.6901 4.6931 4.6931 8.8155 8.8155 8.8177 8.8177 8.9584 8.9584 8.9630 8.9630 9.9949 9.9949 10.0220 10.0220 10.3892 10.3892 10.4312 10.4312 10.8240 10.8240 10.8369 10.8369 11.2958 11.2958 11.2959 11.2959 14.5457 14.5457 14.5461 14.5461 14.9910 14.9910 15.0040 15.0040 k = 0.0776 0.2739-0.0000 ( 2738 PWs) bands (ev): -2.0046 -2.0046 -2.0045 -2.0045 1.4428 1.4428 1.4454 1.4454 4.6672 4.6672 4.6699 4.6699 8.8218 8.8218 8.8240 8.8240 8.9523 8.9523 8.9565 8.9565 10.0194 10.0194 10.0471 10.0471 10.3903 10.3903 10.4339 10.4339 10.8142 10.8142 10.8285 10.8285 11.3140 11.3140 11.3140 11.3140 14.6848 14.6848 14.6851 14.6851 14.9995 14.9995 15.0116 15.0116 k = 0.0690 0.2739-0.0000 ( 2734 PWs) bands (ev): -2.0254 -2.0254 -2.0253 -2.0253 1.4215 1.4215 1.4238 1.4238 4.6467 4.6467 4.6491 4.6491 8.8269 8.8269 8.8289 8.8289 8.9466 8.9466 8.9504 8.9504 10.0448 10.0448 10.0731 10.0731 10.3893 10.3893 10.4341 10.4341 10.8023 10.8023 10.8176 10.8176 11.3307 11.3307 11.3308 11.3308 14.8234 14.8234 14.8241 14.8241 15.0058 15.0058 15.0175 15.0175 k = 0.0603 0.2739-0.0000 ( 2730 PWs) bands (ev): -2.0438 -2.0438 -2.0437 -2.0437 1.4027 1.4027 1.4047 1.4047 4.6286 4.6286 4.6307 4.6307 8.8307 8.8307 8.8326 8.8326 8.9414 8.9414 8.9449 8.9449 10.0708 10.0708 10.0996 10.0996 10.3865 10.3865 10.4321 10.4321 10.7892 10.7892 10.8049 10.8049 11.3458 11.3458 11.3460 11.3460 14.9566 14.9566 14.9579 14.9579 15.0121 15.0121 15.0257 15.0257 k = 0.0517 0.2739-0.0000 ( 2732 PWs) bands (ev): -2.0598 -2.0598 -2.0597 -2.0597 1.3864 1.3864 1.3881 1.3881 4.6129 4.6129 4.6147 4.6147 8.8336 8.8336 8.8352 8.8352 8.9370 8.9370 8.9399 8.9399 10.0969 10.0969 10.1262 10.1262 10.3822 10.3822 10.4278 10.4278 10.7757 10.7757 10.7912 10.7912 11.3591 11.3591 11.3593 11.3593 15.0108 15.0108 15.0144 15.0144 15.0939 15.0939 15.1026 15.1026 k = 0.0431 0.2739-0.0000 ( 2732 PWs) bands (ev): -2.0733 -2.0733 -2.0733 -2.0733 1.3726 1.3726 1.3740 1.3740 4.5996 4.5996 4.6011 4.6011 8.8357 8.8357 8.8371 8.8371 8.9332 8.9332 8.9357 8.9357 10.1227 10.1227 10.1519 10.1519 10.3768 10.3768 10.4214 10.4214 10.7626 10.7626 10.7774 10.7774 11.3706 11.3706 11.3708 11.3708 15.0140 15.0140 15.0187 15.0187 15.2169 15.2169 15.2246 15.2246 k = 0.0345 0.2739-0.0000 ( 2736 PWs) bands (ev): -2.0844 -2.0844 -2.0843 -2.0843 1.3613 1.3613 1.3624 1.3624 4.5887 4.5887 4.5900 4.5900 8.8372 8.8372 8.8383 8.8383 8.9301 8.9301 8.9321 8.9321 10.1475 10.1475 10.1758 10.1758 10.3709 10.3709 10.4129 10.4129 10.7510 10.7510 10.7642 10.7642 11.3801 11.3801 11.3803 11.3803 15.0157 15.0157 15.0198 15.0198 15.3303 15.3303 15.3387 15.3387 k = 0.0259 0.2739-0.0000 ( 2744 PWs) bands (ev): -2.0930 -2.0930 -2.0930 -2.0930 1.3525 1.3525 1.3534 1.3534 4.5803 4.5803 4.5813 4.5813 8.8381 8.8381 8.8390 8.8390 8.9278 8.9278 8.9293 8.9293 10.1706 10.1706 10.1964 10.1964 10.3656 10.3656 10.4026 10.4026 10.7416 10.7416 10.7524 10.7524 11.3875 11.3875 11.3877 11.3877 15.0169 15.0169 15.0201 15.0201 15.4307 15.4307 15.4400 15.4400 k = 0.0172 0.2739-0.0000 ( 2752 PWs) bands (ev): -2.0992 -2.0992 -2.0991 -2.0991 1.3463 1.3463 1.3469 1.3469 4.5744 4.5744 4.5750 4.5750 8.8388 8.8388 8.8394 8.8394 8.9262 8.9262 8.9272 8.9272 10.1909 10.1909 10.2115 10.2115 10.3623 10.3623 10.3909 10.3909 10.7351 10.7351 10.7428 10.7428 11.3929 11.3929 11.3930 11.3930 15.0178 15.0178 15.0200 15.0200 15.5156 15.5156 15.5253 15.5253 k = 0.0086 0.2739-0.0000 ( 2758 PWs) bands (ev): -2.1029 -2.1029 -2.1028 -2.1028 1.3427 1.3427 1.3430 1.3430 4.5708 4.5708 4.5711 4.5711 8.8392 8.8392 8.8395 8.8395 8.9253 8.9253 8.9258 8.9258 10.2070 10.2070 10.2188 10.2188 10.3633 10.3633 10.3793 10.3793 10.7319 10.7319 10.7359 10.7359 11.3960 11.3960 11.3961 11.3961 15.0185 15.0185 15.0196 15.0196 15.5807 15.5807 15.5889 15.5889 k = 0.0000 0.2739-0.0000 ( 2748 PWs) bands (ev): -2.1041 -2.1041 -2.1041 -2.1041 1.3415 1.3415 1.3416 1.3416 4.5698 4.5698 4.5698 4.5698 8.8394 8.8394 8.8394 8.8394 8.9252 8.9252 8.9253 8.9253 10.2170 10.2170 10.2170 10.2170 10.3694 10.3694 10.3694 10.3694 10.7322 10.7322 10.7322 10.7322 11.3972 11.3972 11.3973 11.3973 15.0191 15.0191 15.0191 15.0191 15.6129 15.6129 15.6130 15.6130 k = 0.0000 0.2739-0.0000 ( 2748 PWs) bands (ev): -2.1041 -2.1041 -2.1041 -2.1041 1.3415 1.3415 1.3416 1.3416 4.5698 4.5698 4.5698 4.5698 8.8394 8.8394 8.8394 8.8394 8.9252 8.9252 8.9253 8.9253 10.2170 10.2170 10.2170 10.2170 10.3694 10.3694 10.3694 10.3694 10.7322 10.7322 10.7322 10.7322 11.3972 11.3972 11.3973 11.3973 15.0191 15.0191 15.0191 15.0191 15.6129 15.6129 15.6130 15.6130 k = 0.0000 0.2654-0.0000 ( 2758 PWs) bands (ev): -2.1684 -2.1684 -2.0390 -2.0390 1.3364 1.3364 1.3462 1.3462 4.5712 4.5712 4.5743 4.5743 8.7784 8.7784 8.8336 8.8336 8.8900 8.8900 9.0179 9.0179 10.1952 10.1952 10.2370 10.2370 10.3683 10.3683 10.3706 10.3706 10.7121 10.7121 10.7527 10.7527 11.3922 11.3922 11.4023 11.4023 14.9070 14.9070 15.1327 15.1327 15.5371 15.5371 15.6858 15.6859 k = 0.0000 0.2568-0.0000 ( 2756 PWs) bands (ev): -2.2318 -2.2318 -1.9733 -1.9733 1.3310 1.3310 1.3502 1.3502 4.5784 4.5784 4.5848 4.5848 8.6653 8.6653 8.8169 8.8169 8.8982 8.8982 9.1112 9.1112 10.1721 10.1721 10.2545 10.2545 10.3673 10.3673 10.3720 10.3720 10.6939 10.6939 10.7731 10.7731 11.3876 11.3876 11.4074 11.4074 14.7978 14.7978 15.2462 15.2462 15.4595 15.4595 15.6709 15.6709 k = 0.0000 0.2482-0.0000 ( 2746 PWs) bands (ev): -2.2942 -2.2942 -1.9073 -1.9073 1.3256 1.3256 1.3534 1.3534 4.5911 4.5911 4.6013 4.6013 8.5403 8.5403 8.7977 8.7977 8.9102 8.9102 9.1963 9.1963 10.1479 10.1479 10.2683 10.2683 10.3660 10.3660 10.3738 10.3738 10.6790 10.6790 10.7929 10.7929 11.3831 11.3831 11.4128 11.4128 14.6922 14.6922 15.3558 15.3558 15.3809 15.3809 15.6582 15.6582 k = 0.0000 0.2397-0.0000 ( 2750 PWs) bands (ev): -2.3553 -2.3553 -1.8411 -1.8411 1.3205 1.3205 1.3556 1.3556 4.6093 4.6093 4.6240 4.6240 8.4087 8.4087 8.7773 8.7773 8.9212 8.9212 9.2713 9.2713 10.1227 10.1227 10.2768 10.2768 10.3641 10.3641 10.3757 10.3757 10.6692 10.6692 10.8116 10.8116 11.3788 11.3788 11.4182 11.4182 14.5909 14.5909 15.3014 15.3014 15.4532 15.4532 15.6643 15.6643 k = 0.0000 0.2311-0.0000 ( 2740 PWs) bands (ev): -2.4151 -2.4151 -1.7749 -1.7749 1.3161 1.3161 1.3567 1.3567 4.6327 4.6327 4.6529 4.6529 8.2719 8.2719 8.7562 8.7562 8.9304 8.9304 9.3354 9.3354 10.0966 10.0966 10.2780 10.2780 10.3623 10.3623 10.3782 10.3782 10.6662 10.6662 10.8293 10.8293 11.3749 11.3749 11.4236 11.4236 14.4945 14.4945 15.2220 15.2220 15.5198 15.5198 15.7075 15.7075 k = 0.0000 0.2226-0.0000 ( 2744 PWs) bands (ev): -2.4735 -2.4735 -1.7090 -1.7090 1.3126 1.3126 1.3568 1.3568 4.6611 4.6611 4.6878 4.6878 8.1311 8.1311 8.7346 8.7346 8.9370 8.9370 9.3880 9.3880 10.0696 10.0696 10.2700 10.2700 10.3612 10.3612 10.3812 10.3812 10.6702 10.6702 10.8459 10.8459 11.3711 11.3711 11.4291 11.4291 14.4036 14.4036 15.1428 15.1428 15.5524 15.5524 15.7910 15.7910 k = 0.0000 0.2140-0.0000 ( 2748 PWs) bands (ev): -2.5303 -2.5303 -1.6438 -1.6438 1.3105 1.3105 1.3557 1.3557 4.6941 4.6941 4.7287 4.7287 7.9872 7.9872 8.7127 8.7127 8.9408 8.9408 9.4285 9.4285 10.0418 10.0418 10.2528 10.2528 10.3617 10.3617 10.3849 10.3849 10.6809 10.6809 10.8614 10.8614 11.3677 11.3677 11.4346 11.4346 14.3184 14.3184 15.0643 15.0643 15.5730 15.5730 15.8922 15.8922 k = 0.0000 0.2054-0.0000 ( 2754 PWs) bands (ev): -2.5854 -2.5854 -1.5793 -1.5793 1.3100 1.3100 1.3535 1.3535 4.7315 4.7315 4.7755 4.7755 7.8408 7.8408 8.6906 8.6906 8.9411 8.9411 9.4565 9.4565 10.0132 10.0132 10.2286 10.2286 10.3637 10.3637 10.3890 10.3890 10.6965 10.6965 10.8760 10.8760 11.3645 11.3645 11.4401 11.4401 14.2393 14.2393 14.9866 14.9866 15.5951 15.5951 15.9963 15.9964 k = 0.0000 0.1969-0.0000 ( 2758 PWs) bands (ev): -2.6389 -2.6389 -1.5160 -1.5160 1.3115 1.3115 1.3503 1.3503 4.7731 4.7731 4.8282 4.8282 7.6927 7.6927 8.6686 8.6686 8.9376 8.9376 9.4710 9.4710 9.9841 9.9841 10.2004 10.2004 10.3667 10.3667 10.3937 10.3937 10.7153 10.7153 10.8898 10.8898 11.3617 11.3617 11.4456 11.4456 14.1664 14.1664 14.9101 14.9101 15.6236 15.6236 16.0440 16.0441 k = 0.0000 0.1883-0.0000 ( 2758 PWs) bands (ev): -2.6905 -2.6905 -1.4540 -1.4540 1.3153 1.3153 1.3461 1.3461 4.8185 4.8185 4.8865 4.8865 7.5435 7.5435 8.6467 8.6467 8.9298 8.9298 9.4717 9.4717 9.9547 9.9547 10.1712 10.1712 10.3702 10.3702 10.3988 10.3988 10.7352 10.7352 10.9029 10.9029 11.3592 11.3592 11.4510 11.4510 14.0999 14.0999 14.8351 14.8351 15.6599 15.6599 16.0703 16.0703 k = 0.0000 0.1798-0.0000 ( 2760 PWs) bands (ev): -2.7402 -2.7402 -1.3938 -1.3938 1.3216 1.3216 1.3411 1.3411 4.8675 4.8675 4.9503 4.9503 7.3940 7.3940 8.6250 8.6250 8.9172 8.9172 9.4576 9.4576 9.9254 9.9254 10.1436 10.1436 10.3739 10.3739 10.4043 10.4043 10.7551 10.7551 10.9156 10.9156 11.3571 11.3571 11.4564 11.4564 14.0398 14.0398 14.7616 14.7616 15.7047 15.7047 16.0855 16.0855 k = 0.0000 0.1712-0.0000 ( 2764 PWs) bands (ev): -2.7879 -2.7879 -1.3356 -1.3356 1.3297 1.3297 1.3366 1.3366 4.9196 4.9196 5.0194 5.0194 7.2447 7.2447 8.6035 8.6035 8.8995 8.8995 9.4285 9.4285 9.8965 9.8965 10.1194 10.1194 10.3779 10.3779 10.4101 10.4101 10.7740 10.7740 10.9277 10.9277 11.3553 11.3553 11.4616 11.4616 13.9859 13.9859 14.6900 14.6900 15.7580 15.7580 16.0884 16.0884 k = 0.0000 0.1626-0.0000 ( 2762 PWs) bands (ev): -2.8337 -2.8337 -1.2797 -1.2797 1.3275 1.3275 1.3449 1.3449 4.9746 4.9746 5.0936 5.0936 7.0962 7.0962 8.5824 8.5824 8.8762 8.8762 9.3846 9.3846 9.8685 9.8685 10.0997 10.0997 10.3820 10.3820 10.4161 10.4161 10.7913 10.7913 10.9397 10.9397 11.3540 11.3540 11.4668 11.4668 13.9382 13.9382 14.6204 14.6204 15.8193 15.8193 16.0825 16.0825 k = 0.0000 0.1541-0.0000 ( 2758 PWs) bands (ev): -2.8774 -2.8774 -1.2264 -1.2264 1.3206 1.3206 1.3607 1.3607 5.0319 5.0319 5.1728 5.1728 6.9493 6.9493 8.5617 8.5617 8.8471 8.8471 9.3269 9.3269 9.8419 9.8419 10.0845 10.0845 10.3863 10.3863 10.4223 10.4223 10.8065 10.8065 10.9514 10.9514 11.3530 11.3530 11.4719 11.4719 13.8964 13.8964 14.5530 14.5530 15.8878 15.8878 16.0708 16.0708 k = 0.0000 0.1455-0.0000 ( 2762 PWs) bands (ev): -2.9189 -2.9189 -1.1759 -1.1759 1.3131 1.3131 1.3802 1.3802 5.0912 5.0912 5.2566 5.2566 6.8045 6.8045 8.5413 8.5413 8.8121 8.8121 9.2571 9.2571 9.8170 9.8170 10.0735 10.0735 10.3906 10.3906 10.4285 10.4285 10.8196 10.8196 10.9629 10.9629 11.3523 11.3523 11.4767 11.4767 13.8602 13.8602 14.4880 14.4880 15.9621 15.9621 16.0555 16.0555 k = 0.0000 0.1370-0.0000 ( 2762 PWs) bands (ev): -2.9583 -2.9583 -1.1284 -1.1284 1.3052 1.3052 1.4033 1.4033 5.1518 5.1518 5.3449 5.3449 6.6627 6.6627 8.5212 8.5212 8.7713 8.7713 9.1767 9.1767 9.7942 9.7942 10.0659 10.0659 10.3950 10.3950 10.4347 10.4347 10.8305 10.8305 10.9742 10.9742 11.3520 11.3520 11.4814 11.4814 13.8293 13.8293 14.4255 14.4255 16.0251 16.0251 16.0538 16.0538 k = 0.0000 0.1284-0.0000 ( 2762 PWs) bands (ev): -2.9955 -2.9955 -1.0840 -1.0840 1.2971 1.2971 1.4300 1.4300 5.2131 5.2131 5.4375 5.4375 6.5248 6.5248 8.5012 8.5012 8.7249 8.7249 9.0876 9.0876 9.7736 9.7736 10.0609 10.0609 10.3994 10.3994 10.4410 10.4410 10.8395 10.8395 10.9852 10.9852 11.3521 11.3521 11.4859 11.4859 13.8032 13.8032 14.3657 14.3657 16.0111 16.0111 16.1311 16.1311 k = 0.0000 0.1198-0.0000 ( 2754 PWs) bands (ev): -3.0305 -3.0305 -1.0430 -1.0430 1.2890 1.2890 1.4601 1.4601 5.2740 5.2740 5.5341 5.5341 6.3919 6.3919 8.4811 8.4811 8.6736 8.6736 8.9917 8.9917 9.7553 9.7553 10.0577 10.0577 10.4038 10.4038 10.4472 10.4472 10.8466 10.8466 10.9961 10.9961 11.3525 11.3525 11.4903 11.4903 13.7815 13.7815 14.3089 14.3089 15.9890 15.9890 16.2165 16.2165 k = 0.0000 0.1113-0.0000 ( 2754 PWs) bands (ev): -3.0631 -3.0631 -1.0054 -1.0054 1.2809 1.2809 1.4932 1.4932 5.3332 5.3332 5.6346 5.6346 6.2657 6.2657 8.4601 8.4601 8.6178 8.6178 8.8908 8.8908 9.7393 9.7393 10.0559 10.0559 10.4081 10.4081 10.4532 10.4532 10.8522 10.8522 11.0067 11.0067 11.3531 11.3531 11.4944 11.4944 13.7639 13.7639 14.2551 14.2551 15.9658 15.9658 16.2787 16.2787 k = 0.0000 0.1027-0.0000 ( 2754 PWs) bands (ev): -3.0935 -3.0935 -0.9712 -0.9712 1.2729 1.2729 1.5291 1.5291 5.3885 5.3885 5.7386 5.7386 6.1485 6.1485 8.4366 8.4366 8.5586 8.5586 8.7875 8.7875 9.7254 9.7254 10.0550 10.0550 10.4123 10.4123 10.4590 10.4590 10.8564 10.8564 11.0170 11.0170 11.3540 11.3540 11.4982 11.4982 13.7498 13.7498 14.2044 14.2044 15.9425 15.9425 16.2966 16.2966 k = 0.0000 0.0942-0.0000 ( 2744 PWs) bands (ev): -3.1215 -3.1215 -0.9404 -0.9404 1.2652 1.2652 1.5672 1.5672 5.4358 5.4358 5.8460 5.8460 6.0446 6.0446 8.4075 8.4075 8.4970 8.4970 8.6861 8.6861 9.7135 9.7135 10.0547 10.0547 10.4164 10.4164 10.4647 10.4647 10.8596 10.8596 11.0270 11.0270 11.3552 11.3552 11.5018 11.5018 13.7387 13.7387 14.1571 14.1571 15.9197 15.9197 16.3085 16.3085 k = 0.0000 0.0856-0.0000 ( 2747 PWs) bands (ev): -3.1472 -3.1472 -0.9129 -0.9129 1.2579 1.2579 1.6068 1.6068 5.4682 5.4682 5.9518 5.9518 5.9656 5.9656 8.3650 8.3650 8.4342 8.4342 8.5947 8.5947 9.7033 9.7033 10.0547 10.0547 10.4202 10.4202 10.4699 10.4699 10.8617 10.8617 11.0364 11.0364 11.3565 11.3565 11.5052 11.5052 13.7304 13.7304 14.1134 14.1134 15.8976 15.8976 16.3182 16.3182 k = 0.0000 0.0770-0.0000 ( 2747 PWs) bands (ev): -3.1705 -3.1705 -0.8886 -0.8886 1.2510 1.2510 1.6472 1.6472 5.4758 5.4758 5.9068 5.9068 6.0708 6.0708 8.2986 8.2986 8.3706 8.3706 8.5256 8.5256 9.6948 9.6948 10.0549 10.0549 10.4236 10.4236 10.4749 10.4749 10.8630 10.8630 11.0455 11.0455 11.3579 11.3579 11.5082 11.5082 13.7242 13.7242 14.0732 14.0732 15.8768 15.8768 16.3262 16.3262 k = 0.0000 0.0685-0.0000 ( 2751 PWs) bands (ev): -3.1914 -3.1914 -0.8675 -0.8675 1.2446 1.2446 1.6876 1.6876 5.4522 5.4522 5.8902 5.8902 6.1870 6.1870 8.2056 8.2056 8.3069 8.3069 8.4825 8.4825 9.6876 9.6876 10.0554 10.0554 10.4269 10.4269 10.4795 10.4795 10.8638 10.8638 11.0537 11.0537 11.3593 11.3593 11.5109 11.5109 13.7199 13.7199 14.0369 14.0369 15.8575 15.8575 16.3327 16.3327 k = 0.0000 0.0599-0.0000 ( 2751 PWs) bands (ev): -3.2099 -3.2099 -0.8493 -0.8493 1.2388 1.2388 1.7269 1.7269 5.4045 5.4045 5.9032 5.9032 6.3059 6.3059 8.0948 8.0948 8.2453 8.2453 8.4563 8.4563 9.6816 9.6816 10.0558 10.0558 10.4300 10.4300 10.4835 10.4835 10.8641 10.8641 11.0612 11.0612 11.3608 11.3608 11.5135 11.5135 13.7171 13.7171 14.0045 14.0045 15.8399 15.8399 16.3380 16.3380 k = 0.0000 0.0514-0.0000 ( 2753 PWs) bands (ev): -3.2259 -3.2259 -0.8339 -0.8339 1.2337 1.2337 1.7641 1.7641 5.3461 5.3461 5.9324 5.9324 6.4270 6.4270 7.9746 7.9746 8.1875 8.1875 8.4390 8.4390 9.6767 9.6767 10.0563 10.0563 10.4327 10.4327 10.4871 10.4871 10.8641 10.8641 11.0680 11.0680 11.3622 11.3622 11.5156 11.5156 13.7154 13.7154 13.9761 13.9761 15.8243 15.8243 16.3422 16.3422 k = 0.0000 0.0428-0.0000 ( 2755 PWs) bands (ev): -3.2395 -3.2395 -0.8211 -0.8211 1.2293 1.2293 1.7981 1.7981 5.2874 5.2874 5.9672 5.9672 6.5501 6.5501 7.8495 7.8495 8.1349 8.1349 8.4266 8.4266 9.6728 9.6728 10.0567 10.0567 10.4350 10.4350 10.4902 10.4902 10.8639 10.8639 11.0738 11.0738 11.3635 11.3635 11.5175 11.5175 13.7145 13.7145 13.9519 13.9519 15.8108 15.8108 16.3454 16.3454 k = 0.0000 0.0342-0.0000 ( 2757 PWs) bands (ev): -3.2506 -3.2506 -0.8109 -0.8109 1.2256 1.2256 1.8278 1.8278 5.2344 5.2344 6.0015 6.0015 6.6749 6.6749 7.7218 7.7218 8.0890 8.0890 8.4175 8.4175 9.6697 9.6697 10.0571 10.0571 10.4370 10.4370 10.4927 10.4927 10.8637 10.8637 11.0787 11.0787 11.3646 11.3646 11.5190 11.5190 13.7142 13.7142 13.9319 13.9319 15.7996 15.7996 16.3478 16.3478 k = 0.0000 0.0257-0.0000 ( 2757 PWs) bands (ev): -3.2593 -3.2593 -0.8031 -0.8031 1.2227 1.2227 1.8522 1.8522 5.1904 5.1904 6.0315 6.0315 6.8008 6.8008 7.5930 7.5930 8.0513 8.0513 8.4109 8.4109 9.6674 9.6674 10.0574 10.0574 10.4385 10.4385 10.4948 10.4948 10.8634 10.8634 11.0826 11.0826 11.3656 11.3656 11.5202 11.5202 13.7142 13.7142 13.9163 13.9163 15.7908 15.7908 16.3495 16.3495 k = 0.0000 0.0171-0.0000 ( 2749 PWs) bands (ev): -3.2655 -3.2655 -0.7976 -0.7976 1.2206 1.2206 1.8703 1.8703 5.1577 5.1577 6.0547 6.0547 6.9269 6.9269 7.4645 7.4645 8.0232 8.0232 8.4064 8.4064 9.6658 9.6658 10.0577 10.0577 10.4397 10.4397 10.4962 10.4962 10.8632 10.8632 11.0854 11.0854 11.3663 11.3663 11.5210 11.5210 13.7143 13.7143 13.9051 13.9051 15.7844 15.7844 16.3506 16.3506 k = 0.0000 0.0086-0.0000 ( 2753 PWs) bands (ev): -3.2692 -3.2692 -0.7944 -0.7944 1.2193 1.2193 1.8815 1.8815 5.1376 5.1376 6.0692 6.0692 7.0498 7.0498 7.3401 7.3401 8.0058 8.0058 8.4037 8.4037 9.6648 9.6648 10.0579 10.0579 10.4402 10.4402 10.4971 10.4971 10.8631 10.8631 11.0871 11.0871 11.3668 11.3668 11.5215 11.5215 13.7145 13.7145 13.8983 13.8983 15.7805 15.7805 16.3512 16.3512 k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -3.2704 -3.2704 -0.7933 -0.7933 1.2189 1.2189 1.8853 1.8853 5.1308 5.1308 6.0742 6.0742 7.1318 7.1318 7.2575 7.2575 7.9999 7.9999 8.4028 8.4028 9.6645 9.6645 10.0579 10.0579 10.4405 10.4405 10.4974 10.4974 10.8630 10.8630 11.0877 11.0877 11.3669 11.3669 11.5217 11.5217 13.7145 13.7145 13.8961 13.8961 15.7793 15.7793 16.3514 16.3514 k = 0.0000 0.0000 0.0000 ( 2753 PWs) bands (ev): -3.2704 -3.2704 -0.7933 -0.7933 1.2189 1.2189 1.8853 1.8853 5.1308 5.1308 6.0742 6.0742 7.1318 7.1318 7.2575 7.2575 7.9999 7.9999 8.4028 8.4028 9.6645 9.6645 10.0579 10.0579 10.4405 10.4405 10.4974 10.4974 10.8630 10.8630 11.0877 11.0877 11.3669 11.3669 11.5217 11.5217 13.7145 13.7145 13.8961 13.8961 15.7793 15.7793 16.3514 16.3514 k = 0.0000 0.0000 0.0086 ( 2753 PWs) bands (ev): -3.2692 -3.2692 -0.7973 -0.7973 1.2216 1.2216 1.8857 1.8857 5.1298 5.1298 6.0757 6.0757 7.1152 7.1152 7.2619 7.2619 8.0081 8.0081 8.4118 8.4118 9.6653 9.6653 10.0575 10.0575 10.4406 10.4406 10.4974 10.4974 10.8626 10.8626 11.0874 11.0874 11.3668 11.3668 11.5212 11.5212 13.7148 13.7148 13.8979 13.8979 15.7783 15.7783 16.3324 16.3324 k = 0.0000 0.0000 0.0172 ( 2765 PWs) bands (ev): -3.2655 -3.2655 -0.8092 -0.8092 1.2298 1.2298 1.8870 1.8870 5.1267 5.1267 6.0802 6.0802 7.0684 7.0684 7.2748 7.2748 8.0289 8.0289 8.4393 8.4393 9.6676 9.6676 10.0563 10.0563 10.4408 10.4408 10.4974 10.4974 10.8610 10.8610 11.0865 11.0865 11.3663 11.3663 11.5194 11.5194 13.7155 13.7155 13.9033 13.9033 15.7753 15.7753 16.2742 16.2742 k = 0.0000 0.0000 0.0258 ( 2765 PWs) bands (ev): -3.2592 -3.2592 -0.8288 -0.8288 1.2432 1.2432 1.8890 1.8890 5.1213 5.1213 6.0883 6.0883 6.9985 6.9985 7.2958 7.2958 8.0540 8.0540 8.4866 8.4866 9.6716 9.6716 10.0544 10.0544 10.4412 10.4412 10.4974 10.4974 10.8586 10.8586 11.0852 11.0852 11.3656 11.3656 11.5167 11.5167 13.7168 13.7168 13.9124 13.9124 15.7704 15.7704 16.1771 16.1771 k = 0.0000 0.0000 0.0344 ( 2763 PWs) bands (ev): -3.2505 -3.2505 -0.8556 -0.8556 1.2613 1.2613 1.8919 1.8919 5.1135 5.1135 6.1007 6.1007 6.9127 6.9127 7.3244 7.3244 8.0766 8.0766 8.5529 8.5529 9.6773 9.6773 10.0517 10.0517 10.4418 10.4418 10.4974 10.4974 10.8552 10.8552 11.0833 11.0833 11.3647 11.3647 11.5132 11.5132 13.7186 13.7186 13.9250 13.9250 15.7632 15.7632 16.0481 16.0481 k = 0.0000 0.0000 0.0430 ( 2767 PWs) bands (ev): -3.2393 -3.2393 -0.8892 -0.8892 1.2838 1.2838 1.8955 1.8955 5.1030 5.1030 6.1182 6.1182 6.8168 6.8168 7.3597 7.3597 8.0937 8.0937 8.6354 8.6354 9.6845 9.6845 10.0481 10.0481 10.4426 10.4426 10.4973 10.4973 10.8509 10.8509 11.0811 11.0811 11.3634 11.3634 11.5086 11.5086 13.7211 13.7211 13.9410 13.9410 15.7532 15.7532 15.8990 15.8990 k = 0.0000 0.0000 0.0516 ( 2759 PWs) bands (ev): -3.2256 -3.2256 -0.9289 -0.9289 1.3101 1.3101 1.8999 1.8999 5.0896 5.0896 6.1416 6.1416 6.7146 6.7146 7.4011 7.4011 8.1052 8.1052 8.7299 8.7299 9.6933 9.6933 10.0437 10.0437 10.4435 10.4435 10.4973 10.4973 10.8457 10.8457 11.0784 11.0784 11.3620 11.3620 11.5033 11.5033 13.7243 13.7243 13.9604 13.9604 15.7207 15.7207 15.7595 15.7595 k = 0.0000 0.0000 0.0602 ( 2759 PWs) bands (ev): -3.2094 -3.2094 -0.9741 -0.9741 1.3396 1.3396 1.9049 1.9049 5.0735 5.0735 6.1715 6.1715 6.6088 6.6088 7.4477 7.4477 8.1121 8.1121 8.8320 8.8320 9.7037 9.7037 10.0382 10.0382 10.4446 10.4446 10.4972 10.4972 10.8397 10.8397 11.0753 11.0753 11.3604 11.3604 11.4971 11.4971 13.7282 13.7282 13.9831 13.9831 15.5682 15.5682 15.7340 15.7340 k = 0.0000 0.0000 0.0688 ( 2749 PWs) bands (ev): -3.1908 -3.1908 -1.0241 -1.0241 1.3718 1.3718 1.9106 1.9106 5.0546 5.0546 6.2083 6.2083 6.5014 6.5014 7.4986 7.4986 8.1156 8.1156 8.9384 8.9384 9.7157 9.7157 10.0317 10.0317 10.4458 10.4458 10.4972 10.4972 10.8331 10.8331 11.0719 11.0719 11.3585 11.3585 11.4904 11.4904 13.7330 13.7330 14.0090 14.0090 15.4048 15.4048 15.7177 15.7177 k = 0.0000 0.0000 0.0774 ( 2753 PWs) bands (ev): -3.1698 -3.1698 -1.0783 -1.0783 1.4061 1.4061 1.9168 1.9168 5.0333 5.0333 6.2518 6.2518 6.3936 6.3936 7.5532 7.5532 8.1163 8.1163 9.0461 9.0461 9.7290 9.7290 10.0242 10.0242 10.4472 10.4472 10.4971 10.4971 10.8260 10.8260 11.0683 11.0683 11.3566 11.3566 11.4829 11.4829 13.7386 13.7386 14.0378 14.0378 15.2440 15.2440 15.6999 15.6999 k = 0.0000 0.0000 0.0860 ( 2753 PWs) bands (ev): -3.1464 -3.1464 -1.1362 -1.1362 1.4421 1.4421 1.9234 1.9234 5.0102 5.0102 6.2822 6.2822 6.3065 6.3065 7.6108 7.6108 8.1148 8.1148 9.1526 9.1526 9.7439 9.7439 10.0157 10.0157 10.4487 10.4487 10.4971 10.4971 10.8186 10.8186 11.0645 11.0645 11.3545 11.3545 11.4750 11.4750 13.7452 13.7452 14.0696 14.0696 15.0886 15.0886 15.6798 15.6798 k = 0.0000 0.0000 0.0946 ( 2753 PWs) bands (ev): -3.1205 -3.1205 -1.1971 -1.1971 1.4791 1.4791 1.9305 1.9305 4.9857 4.9857 6.1787 6.1787 6.3611 6.3611 7.6707 7.6707 8.1115 8.1115 9.2556 9.2556 9.7601 9.7601 10.0065 10.0065 10.4504 10.4504 10.4970 10.4970 10.8115 10.8115 11.0606 11.0606 11.3523 11.3523 11.4667 11.4667 13.7530 13.7530 14.1040 14.1040 14.9403 14.9403 15.6574 15.6574 k = 0.0000 0.0000 0.1032 ( 2763 PWs) bands (ev): -3.0923 -3.0923 -1.2606 -1.2606 1.5168 1.5168 1.9378 1.9378 4.9604 4.9604 6.0742 6.0742 6.4247 6.4247 7.7326 7.7326 8.1062 8.1062 9.3523 9.3523 9.7776 9.7776 9.9971 9.9971 10.4521 10.4521 10.4968 10.4968 10.8049 10.8049 11.0567 11.0567 11.3500 11.3500 11.4580 11.4580 13.7619 13.7619 14.1411 14.1411 14.8004 14.8004 15.6326 15.6326 k = 0.0000 0.0000 0.1119 ( 2763 PWs) bands (ev): -3.0617 -3.0617 -1.3261 -1.3261 1.5548 1.5548 1.9453 1.9453 4.9351 4.9351 5.9717 5.9717 6.4942 6.4942 7.7960 7.7960 8.0994 8.0994 9.4397 9.4397 9.7963 9.7963 9.9886 9.9886 10.4540 10.4540 10.4967 10.4967 10.7997 10.7997 11.0529 11.0529 11.3478 11.3478 11.4492 11.4492 13.7723 13.7723 14.1805 14.1805 14.6704 14.6704 15.6053 15.6053 k = 0.0000 0.0000 0.1205 ( 2759 PWs) bands (ev): -3.0287 -3.0287 -1.3932 -1.3932 1.5927 1.5927 1.9529 1.9529 4.9103 4.9103 5.8719 5.8719 6.5688 6.5688 7.8606 7.8606 8.0909 8.0909 9.5137 9.5137 9.8160 9.8160 9.9830 9.9830 10.4560 10.4560 10.4965 10.4965 10.7964 10.7964 11.0493 11.0493 11.3456 11.3456 11.4403 11.4403 13.7840 13.7840 14.2222 14.2222 14.5512 14.5512 15.5755 15.5755 k = 0.0000 0.0000 0.1291 ( 2761 PWs) bands (ev): -2.9935 -2.9935 -1.4617 -1.4617 1.6302 1.6302 1.9604 1.9604 4.8867 4.8867 5.7749 5.7749 6.6478 6.6478 7.9262 7.9262 8.0805 8.0805 9.5693 9.5693 9.8367 9.8367 9.9831 9.9831 10.4581 10.4581 10.4963 10.4963 10.7960 10.7960 11.0459 11.0459 11.3436 11.3436 11.4313 11.4313 13.7974 13.7974 14.2659 14.2659 14.4439 14.4439 15.5431 15.5431 k = 0.0000 0.0000 0.1377 ( 2765 PWs) bands (ev): -2.9560 -2.9560 -1.5310 -1.5310 1.6670 1.6670 1.9676 1.9676 4.8648 4.8648 5.6812 5.6812 6.7304 6.7304 7.9927 7.9927 8.0683 8.0683 9.6018 9.6018 9.8581 9.8581 9.9919 9.9919 10.4605 10.4605 10.4960 10.4960 10.7990 10.7990 11.0427 11.0427 11.3415 11.3415 11.4225 11.4225 13.8122 13.8122 14.3107 14.3107 14.3501 14.3501 15.5082 15.5083 k = 0.0000 0.0000 0.1463 ( 2753 PWs) bands (ev): -2.9162 -2.9162 -1.6009 -1.6009 1.7027 1.7027 1.9744 1.9744 4.8452 4.8452 5.5910 5.5910 6.8159 6.8159 8.0541 8.0541 8.0600 8.0600 9.6093 9.6093 9.8800 9.8800 10.0097 10.0097 10.4631 10.4631 10.4958 10.4958 10.8062 10.8062 11.0399 11.0399 11.3398 11.3398 11.4138 11.4138 13.8288 13.8288 14.2671 14.2671 14.3598 14.3598 15.4708 15.4708 k = 0.0000 0.0000 0.1549 ( 2749 PWs) bands (ev): -2.8743 -2.8743 -1.6711 -1.6711 1.7372 1.7372 1.9807 1.9807 4.8284 4.8284 5.5047 5.5047 6.9033 6.9033 8.0377 8.0377 8.1282 8.1282 9.5942 9.5942 9.9023 9.9023 10.0329 10.0329 10.4657 10.4657 10.4955 10.4955 10.8179 10.8179 11.0374 11.0374 11.3383 11.3383 11.4054 11.4054 13.8470 13.8470 14.1997 14.1997 14.4085 14.4085 15.4307 15.4307 k = 0.0000 0.0000 0.1635 ( 2749 PWs) bands (ev): -2.8302 -2.8302 -1.7414 -1.7414 1.7702 1.7702 1.9861 1.9861 4.8149 4.8149 5.4224 5.4224 6.9918 6.9918 8.0188 8.0188 8.1975 8.1975 9.5611 9.5611 9.9246 9.9246 10.0569 10.0569 10.4684 10.4684 10.4951 10.4951 10.8337 10.8337 11.0351 11.0351 11.3370 11.3370 11.3972 11.3972 13.8666 13.8666 14.1458 14.1458 14.4589 14.4589 15.3876 15.3876 k = 0.0000 0.0000 0.1721 ( 2749 PWs) bands (ev): -2.7839 -2.7839 -1.8115 -1.8115 1.8014 1.8014 1.9907 1.9907 4.8052 4.8052 5.3444 5.3444 7.0804 7.0804 7.9972 7.9972 8.2679 8.2679 9.5142 9.5142 9.9466 9.9466 10.0778 10.0778 10.4710 10.4710 10.4947 10.4947 10.8530 10.8530 11.0330 11.0330 11.3361 11.3361 11.3895 11.3895 13.8877 13.8877 14.1053 14.1053 14.5104 14.5104 15.3398 15.3398 k = 0.0000 0.0000 0.1807 ( 2749 PWs) bands (ev): -2.7356 -2.7356 -1.8812 -1.8812 1.8306 1.8306 1.9941 1.9941 4.7995 4.7995 5.2709 5.2709 7.1682 7.1682 7.9728 7.9728 8.3399 8.3399 9.4566 9.4566 9.9682 9.9682 10.0940 10.0940 10.4737 10.4737 10.4941 10.4941 10.8745 10.8745 11.0309 11.0309 11.3355 11.3355 11.3821 11.3821 13.9099 13.9099 14.0772 14.0772 14.5630 14.5630 15.2847 15.2847 k = 0.0000 0.0000 0.1893 ( 2753 PWs) bands (ev): -2.6853 -2.6853 -1.9504 -1.9504 1.8577 1.8577 1.9962 1.9962 4.7984 4.7984 5.2022 5.2022 7.2542 7.2542 7.9449 7.9449 8.4136 8.4136 9.3904 9.3904 9.9892 9.9892 10.1051 10.1051 10.4761 10.4761 10.4935 10.4935 10.8970 10.8970 11.0287 11.0287 11.3353 11.3353 11.3752 11.3752 13.9329 13.9329 14.0600 14.0600 14.6165 14.6165 15.2270 15.2270 k = 0.0000 0.0000 0.1979 ( 2753 PWs) bands (ev): -2.6330 -2.6330 -2.0188 -2.0188 1.8826 1.8826 1.9967 1.9967 4.8021 4.8021 5.1385 5.1385 7.3375 7.3375 7.9135 7.9135 8.4894 8.4894 9.3175 9.3175 10.0092 10.0092 10.1112 10.1112 10.4784 10.4784 10.4928 10.4928 10.9191 10.9191 11.0262 11.0262 11.3356 11.3356 11.3688 11.3688 13.9562 13.9562 14.0518 14.0518 14.6705 14.6705 15.1749 15.1749 k = 0.0000 0.0000 0.2065 ( 2745 PWs) bands (ev): -2.5789 -2.5789 -2.0863 -2.0863 1.9051 1.9051 1.9954 1.9954 4.8108 4.8108 5.0800 5.0800 7.4174 7.4174 7.8780 7.8780 8.5674 8.5674 9.2394 9.2394 10.0281 10.0281 10.1132 10.1132 10.4806 10.4806 10.4920 10.4920 10.9398 10.9398 11.0232 11.0232 11.3364 11.3364 11.3630 11.3630 13.9791 13.9791 14.0498 14.0498 14.7250 14.7250 15.1318 15.1319 k = 0.0000 0.0000 0.2151 ( 2750 PWs) bands (ev): -2.5229 -2.5229 -2.1527 -2.1527 1.9250 1.9250 1.9923 1.9923 4.8249 4.8249 5.0268 5.0268 7.4929 7.4929 7.8382 7.8382 8.6477 8.6477 9.1573 9.1573 10.0457 10.0457 10.1113 10.1113 10.4826 10.4826 10.4911 10.4911 10.9583 10.9583 11.0193 11.0193 11.3377 11.3377 11.3577 11.3577 14.0006 14.0006 14.0510 14.0510 14.7798 14.7798 15.0941 15.0941 k = 0.0000 0.0000 0.2237 ( 2754 PWs) bands (ev): -2.4651 -2.4651 -2.2180 -2.2180 1.9424 1.9424 1.9870 1.9870 4.8445 4.8445 4.9790 4.9790 7.5637 7.5637 7.7937 7.7937 8.7302 8.7302 9.0726 9.0726 10.0617 10.0617 10.1063 10.1063 10.4844 10.4844 10.4900 10.4900 10.9743 10.9743 11.0141 11.0141 11.3396 11.3396 11.3529 11.3529 14.0197 14.0197 14.0524 14.0524 14.8345 14.8345 15.0481 15.0481 k = 0.0000 0.0000 0.2323 ( 2750 PWs) bands (ev): -2.4056 -2.4056 -2.2820 -2.2820 1.9573 1.9573 1.9795 1.9795 4.8696 4.8696 4.9369 4.9369 7.6292 7.6292 7.7442 7.7442 8.8146 8.8146 8.9866 8.9866 10.0760 10.0760 10.0985 10.0985 10.4860 10.4860 10.4889 10.4889 10.9878 10.9878 11.0074 11.0074 11.3421 11.3421 11.3487 11.3487 14.0350 14.0350 14.0512 14.0512 14.8890 14.8890 14.9964 14.9964 k = 0.0000 0.0000 0.2409 ( 2748 PWs) bands (ev): -2.3446 -2.3446 -2.3445 -2.3445 1.9696 1.9696 1.9697 1.9697 4.9004 4.9004 4.9004 4.9004 7.6894 7.6894 7.6894 7.6894 8.9003 8.9003 8.9003 8.9003 10.0883 10.0883 10.0884 10.0884 10.4875 10.4875 10.4876 10.4876 10.9987 10.9987 10.9988 10.9988 11.3451 11.3451 11.3452 11.3452 14.0456 14.0456 14.0456 14.0456 14.9430 14.9430 14.9431 14.9431 k = 0.0000 0.0000 0.2409 ( 2748 PWs) bands (ev): -2.3446 -2.3446 -2.3445 -2.3445 1.9696 1.9696 1.9697 1.9697 4.9004 4.9004 4.9004 4.9004 7.6894 7.6894 7.6894 7.6894 8.9003 8.9003 8.9003 8.9003 10.0883 10.0883 10.0884 10.0884 10.4875 10.4875 10.4876 10.4876 10.9987 10.9987 10.9988 10.9988 11.3451 11.3451 11.3452 11.3452 14.0456 14.0456 14.0456 14.0456 14.9430 14.9430 14.9431 14.9431 k = 0.0086-0.0000 0.2409 ( 2752 PWs) bands (ev): -2.3433 -2.3433 -2.3432 -2.3432 1.9707 1.9707 1.9707 1.9707 4.9014 4.9014 4.9017 4.9017 7.6903 7.6903 7.6905 7.6905 8.8997 8.8997 8.9004 8.9004 10.0879 10.0879 10.0883 10.0883 10.4869 10.4869 10.4874 10.4874 10.9931 10.9931 11.0008 11.0008 11.3417 11.3417 11.3495 11.3495 14.0459 14.0459 14.0461 14.0461 14.9213 14.9213 14.9312 14.9312 k = 0.0172-0.0000 0.2409 ( 2748 PWs) bands (ev): -2.3394 -2.3394 -2.3393 -2.3393 1.9738 1.9738 1.9738 1.9738 4.9048 4.9048 4.9053 4.9053 7.6934 7.6934 7.6938 7.6938 8.8988 8.8988 8.9001 8.9001 10.0872 10.0872 10.0879 10.0879 10.4856 10.4856 10.4866 10.4866 10.9841 10.9841 10.9993 10.9993 11.3393 11.3393 11.3546 11.3546 14.0471 14.0471 14.0475 14.0475 14.8728 14.8728 14.8878 14.8878 k = 0.0259-0.0000 0.2409 ( 2764 PWs) bands (ev): -2.3328 -2.3328 -2.3327 -2.3327 1.9790 1.9790 1.9790 1.9790 4.9105 4.9105 4.9112 4.9112 7.6984 7.6984 7.6990 7.6990 8.8973 8.8973 8.8993 8.8993 10.0857 10.0857 10.0868 10.0868 10.4834 10.4834 10.4850 10.4850 10.9719 10.9719 10.9938 10.9938 11.3379 11.3379 11.3602 11.3602 14.0491 14.0491 14.0496 14.0496 14.8039 14.8039 14.8208 14.8208 k = 0.0345-0.0000 0.2409 ( 2764 PWs) bands (ev): -2.3237 -2.3237 -2.3236 -2.3236 1.9863 1.9863 1.9863 1.9863 4.9184 4.9184 4.9194 4.9194 7.7056 7.7056 7.7064 7.7064 8.8955 8.8955 8.8981 8.8981 10.0838 10.0838 10.0853 10.0853 10.4804 10.4804 10.4829 10.4829 10.9567 10.9567 10.9846 10.9846 11.3378 11.3378 11.3662 11.3662 14.0519 14.0519 14.0526 14.0526 14.7185 14.7185 14.7355 14.7355 k = 0.0431-0.0000 0.2409 ( 2764 PWs) bands (ev): -2.3119 -2.3119 -2.3118 -2.3118 1.9956 1.9956 1.9957 1.9957 4.9287 4.9287 4.9298 4.9298 7.7148 7.7148 7.7157 7.7157 8.8931 8.8931 8.8965 8.8965 10.0811 10.0811 10.0832 10.0832 10.4766 10.4766 10.4801 10.4801 10.9388 10.9388 10.9715 10.9715 11.3387 11.3387 11.3724 11.3724 14.0555 14.0555 14.0563 14.0563 14.6191 14.6191 14.6354 14.6354 k = 0.0517-0.0000 0.2409 ( 2756 PWs) bands (ev): -2.2976 -2.2976 -2.2975 -2.2975 2.0070 2.0070 2.0071 2.0071 4.9413 4.9413 4.9426 4.9426 7.7260 7.7260 7.7271 7.7271 8.8903 8.8903 8.8943 8.8943 10.0774 10.0774 10.0802 10.0802 10.4720 10.4720 10.4767 10.4767 10.9182 10.9182 10.9548 10.9548 11.3406 11.3406 11.3787 11.3787 14.0598 14.0598 14.0607 14.0607 14.5081 14.5081 14.5235 14.5235 k = 0.0603-0.0000 0.2409 ( 2752 PWs) bands (ev): -2.2806 -2.2806 -2.2805 -2.2805 2.0205 2.0205 2.0205 2.0205 4.9561 4.9561 4.9577 4.9577 7.7391 7.7391 7.7404 7.7404 8.8870 8.8870 8.8917 8.8917 10.0726 10.0726 10.0760 10.0760 10.4664 10.4664 10.4727 10.4727 10.8953 10.8953 10.9345 10.9345 11.3433 11.3433 11.3849 11.3849 14.0647 14.0647 14.0656 14.0656 14.3880 14.3880 14.4023 14.4023 k = 0.0690-0.0000 0.2409 ( 2748 PWs) bands (ev): -2.2611 -2.2611 -2.2609 -2.2609 2.0360 2.0360 2.0360 2.0360 4.9732 4.9732 4.9750 4.9750 7.7541 7.7541 7.7555 7.7555 8.8831 8.8831 8.8885 8.8885 10.0662 10.0662 10.0705 10.0705 10.4597 10.4597 10.4681 10.4681 10.8701 10.8701 10.9108 10.9108 11.3466 11.3466 11.3909 11.3909 14.0697 14.0697 14.0701 14.0701 14.2620 14.2620 14.2748 14.2748 k = 0.0776-0.0000 0.2409 ( 2740 PWs) bands (ev): -2.2389 -2.2389 -2.2388 -2.2388 2.0535 2.0535 2.0535 2.0535 4.9925 4.9925 4.9945 4.9945 7.7710 7.7710 7.7726 7.7726 8.8786 8.8786 8.8848 8.8848 10.0579 10.0579 10.0631 10.0631 10.4521 10.4521 10.4631 10.4631 10.8428 10.8428 10.8840 10.8840 11.3503 11.3503 11.3966 11.3966 14.0670 14.0670 14.0708 14.0708 14.1396 14.1396 14.1474 14.1474 k = 0.0862-0.0000 0.2409 ( 2740 PWs) bands (ev): -2.2142 -2.2142 -2.2141 -2.2141 2.0729 2.0729 2.0730 2.0730 5.0140 5.0140 5.0162 5.0162 7.7896 7.7896 7.7913 7.7913 8.8734 8.8734 8.8803 8.8803 10.0472 10.0472 10.0533 10.0533 10.4434 10.4434 10.4574 10.4574 10.8138 10.8138 10.8543 10.8543 11.3543 11.3543 11.4020 11.4020 13.9814 13.9814 13.9960 13.9960 14.0940 14.0940 14.0978 14.0978 k = 0.0948-0.0000 0.2409 ( 2744 PWs) bands (ev): -2.1869 -2.1869 -2.1868 -2.1868 2.0944 2.0944 2.0945 2.0945 5.0377 5.0377 5.0401 5.0401 7.8099 7.8099 7.8117 7.8117 8.8675 8.8675 8.8752 8.8752 10.0333 10.0333 10.0402 10.0402 10.4337 10.4337 10.4512 10.4512 10.7834 10.7834 10.8221 10.8221 11.3583 11.3583 11.4069 11.4069 13.8497 13.8497 13.8635 13.8635 14.0984 14.0984 14.1020 14.1020 k = 0.1034-0.0000 0.2409 ( 2738 PWs) bands (ev): -2.1571 -2.1571 -2.1569 -2.1569 2.1178 2.1178 2.1179 2.1179 5.0636 5.0636 5.0662 5.0662 7.8317 7.8317 7.8336 7.8336 8.8607 8.8607 8.8692 8.8692 10.0157 10.0157 10.0232 10.0232 10.4231 10.4231 10.4448 10.4448 10.7522 10.7522 10.7879 10.7879 11.3625 11.3625 11.4115 11.4115 13.7159 13.7159 13.7291 13.7291 14.1065 14.1065 14.1101 14.1101 k = 0.1121-0.0000 0.2409 ( 2738 PWs) bands (ev): -2.1247 -2.1247 -2.1245 -2.1245 2.1431 2.1431 2.1432 2.1432 5.0916 5.0916 5.0944 5.0944 7.8550 7.8550 7.8569 7.8569 8.8530 8.8530 8.8624 8.8624 9.9933 9.9933 10.0012 10.0012 10.4118 10.4118 10.4379 10.4379 10.7208 10.7208 10.7524 10.7524 11.3664 11.3664 11.4155 11.4155 13.5841 13.5841 13.5969 13.5969 14.1159 14.1159 14.1196 14.1196 k = 0.1207-0.0000 0.2409 ( 2734 PWs) bands (ev): -2.0897 -2.0897 -2.0896 -2.0896 2.1703 2.1703 2.1705 2.1705 5.1217 5.1217 5.1246 5.1246 7.8795 7.8795 7.8815 7.8815 8.8441 8.8441 8.8545 8.8545 9.9654 9.9654 9.9729 9.9729 10.4002 10.4002 10.4309 10.4309 10.6896 10.6896 10.7161 10.7161 11.3702 11.3702 11.4190 11.4190 13.4559 13.4559 13.4685 13.4685 14.1260 14.1260 14.1299 14.1299 k = 0.1293-0.0000 0.2409 ( 2730 PWs) bands (ev): -2.0523 -2.0523 -2.0521 -2.0521 2.1994 2.1994 2.1996 2.1996 5.1538 5.1538 5.1569 5.1569 7.9052 7.9052 7.9071 7.9071 8.8340 8.8340 8.8453 8.8453 9.9310 9.9310 9.9375 9.9375 10.3886 10.3886 10.4238 10.4238 10.6593 10.6593 10.6799 10.6799 11.3737 11.3737 11.4220 11.4220 13.3329 13.3329 13.3454 13.3454 14.1369 14.1369 14.1409 14.1409 k = 0.1379-0.0000 0.2409 ( 2732 PWs) bands (ev): -2.0123 -2.0123 -2.0121 -2.0121 2.2303 2.2303 2.2305 2.2305 5.1880 5.1880 5.1912 5.1912 7.9316 7.9316 7.9335 7.9335 8.8222 8.8222 8.8346 8.8346 9.8894 9.8894 9.8941 9.8941 10.3773 10.3773 10.4166 10.4166 10.6304 10.6304 10.6446 10.6446 11.3768 11.3768 11.4243 11.4243 13.2159 13.2159 13.2284 13.2284 14.1483 14.1483 14.1525 14.1525 k = 0.1466-0.0000 0.2409 ( 2744 PWs) bands (ev): -1.9698 -1.9698 -1.9696 -1.9696 2.2629 2.2629 2.2631 2.2631 5.2241 5.2241 5.2274 5.2274 7.9587 7.9587 7.9605 7.9605 8.8084 8.8084 8.8219 8.8219 9.8403 9.8403 9.8425 9.8425 10.3668 10.3668 10.4093 10.4093 10.6031 10.6031 10.6109 10.6109 11.3795 11.3795 11.4260 11.4260 13.1058 13.1058 13.1183 13.1183 14.1602 14.1602 14.1646 14.1646 k = 0.1552-0.0000 0.2409 ( 2748 PWs) bands (ev): -1.9249 -1.9249 -1.9247 -1.9247 2.2973 2.2973 2.2975 2.2975 5.2620 5.2620 5.2655 5.2655 7.9859 7.9859 7.9876 7.9876 8.7923 8.7923 8.8070 8.8070 9.7832 9.7832 9.7840 9.7840 10.3574 10.3574 10.4020 10.4020 10.5775 10.5775 10.5795 10.5795 11.3816 11.3816 11.4271 11.4271 13.0032 13.0032 13.0157 13.0157 14.1725 14.1725 14.1771 14.1771 k = 0.1638-0.0000 0.2409 ( 2748 PWs) bands (ev): -1.8775 -1.8775 -1.8773 -1.8773 2.3333 2.3333 2.3336 2.3336 5.3018 5.3018 5.3053 5.3053 8.0130 8.0130 8.0145 8.0145 8.7732 8.7732 8.7890 8.7890 9.7171 9.7171 9.7211 9.7211 10.3488 10.3488 10.3943 10.3943 10.5507 10.5507 10.5536 10.5536 11.3833 11.3833 11.4275 11.4275 12.9084 12.9084 12.9209 12.9209 14.1853 14.1853 14.1901 14.1901 k = 0.1724-0.0000 0.2409 ( 2748 PWs) bands (ev): -1.8277 -1.8277 -1.8275 -1.8275 2.3709 2.3709 2.3713 2.3713 5.3434 5.3434 5.3469 5.3469 8.0392 8.0392 8.0406 8.0406 8.7502 8.7502 8.7672 8.7672 9.6463 9.6463 9.6534 9.6534 10.3410 10.3410 10.3859 10.3859 10.5251 10.5251 10.5314 10.5314 11.3843 11.3843 11.4272 11.4272 12.8215 12.8215 12.8340 12.8340 14.1984 14.1984 14.2033 14.2033 k = 0.1810-0.0000 0.2409 ( 2742 PWs) bands (ev): -1.7755 -1.7755 -1.7752 -1.7752 2.4101 2.4101 2.4105 2.4105 5.3866 5.3866 5.3902 5.3902 8.0638 8.0638 8.0649 8.0649 8.7227 8.7227 8.7407 8.7407 9.5732 9.5732 9.5831 9.5831 10.3334 10.3334 10.3759 10.3759 10.5031 10.5031 10.5107 10.5107 11.3847 11.3847 11.4263 11.4263 12.7425 12.7425 12.7550 12.7550 14.2117 14.2117 14.2167 14.2167 k = 0.1897-0.0000 0.2409 ( 2738 PWs) bands (ev): -1.7208 -1.7208 -1.7206 -1.7206 2.4508 2.4508 2.4512 2.4512 5.4313 5.4313 5.4349 5.4349 8.0855 8.0855 8.0862 8.0862 8.6898 8.6898 8.7085 8.7085 9.5008 9.5008 9.5130 9.5130 10.3254 10.3254 10.3635 10.3635 10.4849 10.4849 10.4917 10.4917 11.3844 11.3844 11.4247 11.4247 12.6713 12.6713 12.6837 12.6837 14.2251 14.2251 14.2303 14.2303 k = 0.1983-0.0000 0.2409 ( 2734 PWs) bands (ev): -1.6639 -1.6639 -1.6636 -1.6636 2.4928 2.4928 2.4934 2.4934 5.4775 5.4775 5.4811 5.4811 8.1023 8.1023 8.1028 8.1028 8.6512 8.6512 8.6702 8.6702 9.4325 9.4325 9.4462 9.4462 10.3163 10.3163 10.3481 10.3481 10.4710 10.4710 10.4747 10.4747 11.3834 11.3834 11.4223 11.4223 12.6073 12.6073 12.6196 12.6196 14.2386 14.2386 14.2439 14.2439 k = 0.2069-0.0000 0.2409 ( 2738 PWs) bands (ev): -1.6046 -1.6046 -1.6043 -1.6043 2.5362 2.5362 2.5368 2.5368 5.5250 5.5250 5.5285 5.5285 8.1112 8.1112 8.1116 8.1116 8.6081 8.6081 8.6265 8.6265 9.3712 9.3712 9.3857 9.3857 10.3051 10.3051 10.3291 10.3291 10.4598 10.4598 10.4611 10.4611 11.3816 11.3816 11.4192 11.4192 12.5503 12.5503 12.5624 12.5624 14.2520 14.2520 14.2573 14.2573 k = 0.2155-0.0000 0.2409 ( 2738 PWs) bands (ev): -1.5430 -1.5430 -1.5427 -1.5427 2.5807 2.5807 2.5814 2.5814 5.5736 5.5736 5.5771 5.5771 8.1077 8.1077 8.1082 8.1082 8.5637 8.5637 8.5807 8.5807 9.3194 9.3194 9.3336 9.3336 10.2911 10.2911 10.3069 10.3069 10.4478 10.4478 10.4548 10.4548 11.3791 11.3791 11.4152 11.4152 12.4998 12.4998 12.5116 12.5116 14.2653 14.2653 14.2705 14.2705 k = 0.2241-0.0000 0.2409 ( 2740 PWs) bands (ev): -1.4792 -1.4792 -1.4789 -1.4789 2.6263 2.6263 2.6271 2.6271 5.6232 5.6232 5.6265 5.6265 8.0856 8.0856 8.0866 8.0866 8.5239 8.5239 8.5384 8.5384 9.2781 9.2781 9.2914 9.2914 10.2737 10.2737 10.2818 10.2818 10.4387 10.4387 10.4511 10.4511 11.3756 11.3756 11.4105 11.4105 12.4551 12.4551 12.4667 12.4667 14.2783 14.2783 14.2833 14.2833 k = 0.2328-0.0000 0.2409 ( 2736 PWs) bands (ev): -1.4131 -1.4131 -1.4129 -1.4129 2.6730 2.6730 2.6739 2.6739 5.6734 5.6734 5.6765 5.6765 8.0397 8.0397 8.0414 8.0414 8.4948 8.4948 8.5063 8.5063 9.2472 9.2472 9.2591 9.2591 10.2527 10.2527 10.2541 10.2541 10.4325 10.4325 10.4496 10.4496 11.3713 11.3713 11.4050 11.4050 12.4159 12.4159 12.4273 12.4273 14.2908 14.2908 14.2954 14.2954 k = 0.2414-0.0000 0.2409 ( 2730 PWs) bands (ev): -1.3449 -1.3449 -1.3446 -1.3446 2.7204 2.7204 2.7214 2.7214 5.7241 5.7241 5.7269 5.7269 7.9692 7.9692 7.9714 7.9714 8.4789 8.4789 8.4873 8.4873 9.2257 9.2257 9.2360 9.2360 10.2243 10.2243 10.2282 10.2282 10.4290 10.4290 10.4496 10.4496 11.3661 11.3661 11.3987 11.3987 12.3816 12.3816 12.3928 12.3928 14.3025 14.3025 14.3065 14.3065 k = 0.2500-0.0000 0.2409 ( 2730 PWs) bands (ev): -1.2746 -1.2746 -1.2743 -1.2743 2.7686 2.7686 2.7697 2.7697 5.7747 5.7747 5.7771 5.7771 7.8783 7.8783 7.8804 7.8804 8.4739 8.4739 8.4797 8.4797 9.2121 9.2121 9.2207 9.2207 10.1926 10.1926 10.2008 10.2008 10.4276 10.4276 10.4507 10.4507 11.3600 11.3600 11.3914 11.3914 12.3518 12.3518 12.3627 12.3627 14.3132 14.3132 14.3156 14.3156 k = 0.2586-0.0000 0.2409 ( 2730 PWs) bands (ev): -1.2022 -1.2022 -1.2019 -1.2019 2.8172 2.8172 2.8184 2.8184 5.8248 5.8248 5.8267 5.8267 7.7732 7.7732 7.7748 7.7748 8.4759 8.4759 8.4797 8.4797 9.2048 9.2048 9.2120 9.2120 10.1592 10.1592 10.1708 10.1708 10.4280 10.4280 10.4529 10.4529 11.3528 11.3528 11.3833 11.3833 12.3259 12.3259 12.3366 12.3366 14.3193 14.3193 14.3210 14.3210 k = 0.2672-0.0000 0.2409 ( 2730 PWs) bands (ev): -1.1278 -1.1278 -1.1275 -1.1275 2.8662 2.8662 2.8675 2.8675 5.8737 5.8737 5.8750 5.8750 7.6596 7.6596 7.6602 7.6602 8.4816 8.4816 8.4839 8.4839 9.2023 9.2023 9.2083 9.2083 10.1245 10.1245 10.1389 10.1389 10.4298 10.4298 10.4557 10.4557 11.3447 11.3447 11.3743 11.3743 12.3036 12.3036 12.3142 12.3142 14.2946 14.2946 14.3066 14.3066 k = 0.2759-0.0000 0.2409 ( 2726 PWs) bands (ev): -1.0515 -1.0515 -1.0512 -1.0512 2.9152 2.9152 2.9167 2.9167 5.9204 5.9204 5.9209 5.9209 7.5414 7.5414 7.5420 7.5420 8.4889 8.4889 8.4900 8.4900 9.2030 9.2030 9.2081 9.2081 10.0891 10.0891 10.1057 10.1057 10.4328 10.4328 10.4594 10.4594 11.3356 11.3356 11.3643 11.3643 12.2846 12.2846 12.2951 12.2951 14.2087 14.2087 14.2143 14.2143 k = 0.2845-0.0000 0.2409 ( 2726 PWs) bands (ev): -0.9733 -0.9733 -0.9731 -0.9731 2.9641 2.9641 2.9658 2.9658 5.9631 5.9631 5.9636 5.9636 7.4223 7.4223 7.4243 7.4243 8.4966 8.4966 8.4968 8.4968 9.2054 9.2054 9.2098 9.2098 10.0533 10.0533 10.0719 10.0719 10.4368 10.4368 10.4636 10.4636 11.3255 11.3255 11.3535 11.3535 12.2685 12.2685 12.2789 12.2789 14.1090 14.1090 14.1115 14.1115 k = 0.2931-0.0000 0.2409 ( 2726 PWs) bands (ev): -0.8934 -0.8934 -0.8932 -0.8932 3.0126 3.0126 3.0144 3.0144 5.9996 5.9996 6.0014 6.0014 7.3069 7.3069 7.3105 7.3105 8.5034 8.5034 8.5041 8.5041 9.2077 9.2077 9.2118 9.2118 10.0182 10.0182 10.0383 10.0383 10.4416 10.4416 10.4683 10.4683 11.3144 11.3144 11.3418 11.3418 12.2550 12.2550 12.2653 12.2653 14.0115 14.0115 14.0125 14.0125 k = 0.3017-0.0000 0.2409 ( 2730 PWs) bands (ev): -0.8118 -0.8118 -0.8116 -0.8116 3.0603 3.0603 3.0623 3.0623 6.0278 6.0278 6.0311 6.0311 7.1991 7.1991 7.2046 7.2046 8.5096 8.5096 8.5109 8.5109 9.2084 9.2084 9.2122 9.2122 9.9845 9.9845 10.0060 10.0060 10.4470 10.4470 10.4735 10.4735 11.3026 11.3026 11.3293 11.3293 12.2438 12.2438 12.2541 12.2541 13.9184 13.9184 13.9186 13.9186 k = 0.3103-0.0000 0.2409 ( 2724 PWs) bands (ev): -0.7287 -0.7287 -0.7284 -0.7284 3.1070 3.1070 3.1091 3.1091 6.0442 6.0442 6.0493 6.0493 7.1038 7.1038 7.1113 7.1113 8.5152 8.5152 8.5171 8.5171 9.2057 9.2057 9.2094 9.2094 9.9535 9.9535 9.9761 9.9761 10.4532 10.4532 10.4792 10.4792 11.2900 11.2900 11.3161 11.3161 12.2346 12.2346 12.2450 12.2450 13.8299 13.8299 13.8305 13.8305 k = 0.3190-0.0000 0.2409 ( 2720 PWs) bands (ev): -0.6441 -0.6441 -0.6439 -0.6439 3.1521 3.1521 3.1544 3.1544 6.0448 6.0448 6.0517 6.0517 7.0260 7.0260 7.0356 7.0356 8.5203 8.5203 8.5227 8.5227 9.1978 9.1978 9.2014 9.2014 9.9264 9.9264 9.9497 9.9497 10.4598 10.4598 10.4852 10.4852 11.2770 11.2770 11.3025 11.3025 12.2274 12.2274 12.2378 12.2378 13.7465 13.7465 13.7478 13.7478 k = 0.3276-0.0000 0.2409 ( 2720 PWs) bands (ev): -0.5583 -0.5583 -0.5580 -0.5580 3.1952 3.1952 3.1977 3.1977 6.0262 6.0262 6.0347 6.0347 6.9705 6.9705 6.9818 6.9818 8.5249 8.5249 8.5278 8.5278 9.1833 9.1833 9.1867 9.1867 9.9042 9.9042 9.9279 9.9279 10.4668 10.4668 10.4913 10.4913 11.2637 11.2637 11.2887 11.2887 12.2217 12.2217 12.2322 12.2322 13.6683 13.6683 13.6702 13.6702 k = 0.3362-0.0000 0.2409 ( 2722 PWs) bands (ev): -0.4713 -0.4713 -0.4711 -0.4711 3.2359 3.2359 3.2385 3.2385 5.9870 5.9870 5.9967 5.9967 6.9394 6.9394 6.9520 6.9520 8.5291 8.5291 8.5324 8.5324 9.1611 9.1611 9.1642 9.1642 9.8876 9.8876 9.9113 9.9113 10.4738 10.4738 10.4974 10.4974 11.2505 11.2505 11.2750 11.2750 12.2175 12.2175 12.2281 12.2281 13.5951 13.5951 13.5977 13.5977 k = 0.3448-0.0000 0.2409 ( 2718 PWs) bands (ev): -0.3834 -0.3834 -0.3832 -0.3832 3.2735 3.2735 3.2763 3.2763 5.9293 5.9293 5.9396 5.9396 6.9318 6.9318 6.9450 6.9450 8.5331 8.5331 8.5368 8.5368 9.1310 9.1310 9.1335 9.1335 9.8769 9.8769 9.9002 9.9002 10.4807 10.4807 10.5032 10.5032 11.2378 11.2378 11.2618 11.2618 12.2145 12.2145 12.2253 12.2253 13.5268 13.5268 13.5301 13.5301 k = 0.3534-0.0000 0.2409 ( 2722 PWs) bands (ev): -0.2948 -0.2948 -0.2945 -0.2945 3.3075 3.3075 3.3104 3.3104 5.8578 5.8578 5.8681 5.8681 6.9437 6.9437 6.9569 6.9569 8.5368 8.5368 8.5410 8.5410 9.0931 9.0931 9.0947 9.0947 9.8716 9.8716 9.8941 9.8941 10.4869 10.4869 10.5083 10.5083 11.2262 11.2262 11.2496 11.2496 12.2126 12.2126 12.2235 12.2235 13.4631 13.4631 13.4671 13.4671 k = 0.3621-0.0000 0.2409 ( 2722 PWs) bands (ev): -0.2057 -0.2057 -0.2055 -0.2055 3.3371 3.3371 3.3402 3.3402 5.7777 5.7777 5.7876 5.7876 6.9704 6.9704 6.9833 6.9833 8.5404 8.5404 8.5451 8.5451 9.0482 9.0482 9.0488 9.0488 9.8710 9.8710 9.8924 9.8924 10.4923 10.4923 10.5123 10.5123 11.2162 11.2162 11.2390 11.2390 12.2117 12.2117 12.2227 12.2227 13.4038 13.4038 13.4086 13.4086 k = 0.3707-0.0000 0.2409 ( 2730 PWs) bands (ev): -0.1164 -0.1164 -0.1162 -0.1162 3.3616 3.3616 3.3648 3.3648 5.6938 5.6938 5.7034 5.7034 7.0076 7.0076 7.0200 7.0200 8.5436 8.5436 8.5489 8.5489 8.9969 8.9969 8.9974 8.9974 9.8739 9.8739 9.8940 9.8940 10.4961 10.4961 10.5146 10.5146 11.2084 11.2084 11.2305 11.2305 12.2115 12.2115 12.2226 12.2226 13.3487 13.3487 13.3543 13.3543 k = 0.3793-0.0000 0.2409 ( 2730 PWs) bands (ev): -0.0273 -0.0273 -0.0271 -0.0271 3.3803 3.3803 3.3837 3.3837 5.6102 5.6102 5.6192 5.6192 7.0522 7.0522 7.0640 7.0640 8.5464 8.5464 8.5524 8.5524 8.9406 8.9406 8.9423 8.9423 9.8793 9.8793 9.8981 9.8981 10.4979 10.4979 10.5149 10.5149 11.2033 11.2033 11.2246 11.2246 12.2120 12.2120 12.2232 12.2232 13.2975 13.2975 13.3039 13.3039 k = 0.3879-0.0000 0.2409 ( 2734 PWs) bands (ev): 0.0613 0.0613 0.0615 0.0615 3.3927 3.3927 3.3961 3.3961 5.5298 5.5298 5.5382 5.5382 7.1019 7.1019 7.1130 7.1130 8.5480 8.5480 8.5551 8.5551 8.8815 8.8815 8.8847 8.8847 9.8863 9.8863 9.9038 9.9038 10.4974 10.4974 10.5127 10.5127 11.2013 11.2013 11.2218 11.2218 12.2130 12.2130 12.2243 12.2243 13.2499 13.2499 13.2572 13.2572 k = 0.3966-0.0000 0.2409 ( 2740 PWs) bands (ev): 0.1488 0.1488 0.1490 0.1490 3.3983 3.3983 3.4017 3.4017 5.4548 5.4548 5.4626 5.4626 7.1550 7.1550 7.1654 7.1654 8.5473 8.5473 8.5556 8.5556 8.8219 8.8219 8.8267 8.8267 9.8942 9.8942 9.9103 9.9103 10.4940 10.4940 10.5077 10.5077 11.2029 11.2029 11.2225 11.2225 12.2143 12.2143 12.2257 12.2257 13.2059 13.2059 13.2140 13.2140 k = 0.4052-0.0000 0.2409 ( 2740 PWs) bands (ev): 0.2348 0.2348 0.2349 0.2349 3.3967 3.3967 3.4001 3.4001 5.3868 5.3868 5.3941 5.3941 7.2104 7.2104 7.2201 7.2201 8.5418 8.5418 8.5518 8.5518 8.7651 8.7651 8.7718 8.7718 9.9022 9.9022 9.9171 9.9171 10.4879 10.4879 10.4999 10.4999 11.2079 11.2079 11.2266 11.2266 12.2161 12.2161 12.2274 12.2274 13.1651 13.1651 13.1741 13.1741 k = 0.4138-0.0000 0.2409 ( 2732 PWs) bands (ev): 0.3186 0.3186 0.3187 0.3187 3.3881 3.3881 3.3914 3.3914 5.3269 5.3269 5.3336 5.3336 7.2672 7.2672 7.2761 7.2761 8.5272 8.5272 8.5386 8.5386 8.7169 8.7169 8.7250 8.7250 9.9101 9.9101 9.9238 9.9238 10.4790 10.4790 10.4895 10.4895 11.2161 11.2161 11.2340 11.2340 12.2180 12.2180 12.2294 12.2294 13.1276 13.1276 13.1375 13.1375 k = 0.4224-0.0000 0.2409 ( 2724 PWs) bands (ev): 0.3995 0.3995 0.3996 0.3996 3.3729 3.3729 3.3762 3.3762 5.2755 5.2755 5.2816 5.2816 7.3248 7.3248 7.3330 7.3330 8.4982 8.4982 8.5096 8.5096 8.6843 8.6843 8.6924 8.6924 9.9175 9.9175 9.9301 9.9301 10.4679 10.4679 10.4769 10.4769 11.2271 11.2271 11.2442 11.2442 12.2201 12.2201 12.2314 12.2314 13.0933 13.0933 13.1040 13.1040 k = 0.4310-0.0000 0.2409 ( 2726 PWs) bands (ev): 0.4766 0.4766 0.4767 0.4767 3.3521 3.3521 3.3551 3.3551 5.2326 5.2326 5.2382 5.2382 7.3828 7.3828 7.3902 7.3902 8.4539 8.4539 8.4638 8.4638 8.6687 8.6687 8.6752 8.6752 9.9242 9.9242 9.9358 9.9358 10.4548 10.4548 10.4625 10.4625 11.2402 11.2402 11.2566 11.2566 12.2220 12.2220 12.2332 12.2332 13.0620 13.0620 13.0735 13.0735 k = 0.4397-0.0000 0.2409 ( 2722 PWs) bands (ev): 0.5489 0.5489 0.5490 0.5490 3.3269 3.3269 3.3298 3.3298 5.1979 5.1979 5.2029 5.2029 7.4406 7.4406 7.4473 7.4473 8.3994 8.3994 8.4076 8.4076 8.6643 8.6643 8.6689 8.6689 9.9302 9.9302 9.9409 9.9409 10.4407 10.4407 10.4472 10.4472 11.2546 11.2546 11.2703 11.2703 12.2239 12.2239 12.2350 12.2350 13.0340 13.0340 13.0462 13.0462 k = 0.4483-0.0000 0.2409 ( 2726 PWs) bands (ev): 0.6153 0.6153 0.6154 0.6154 3.2990 3.2990 3.3017 3.3017 5.1705 5.1705 5.1751 5.1751 7.4979 7.4979 7.5038 7.5038 8.3400 8.3400 8.3470 8.3470 8.6654 8.6654 8.6685 8.6685 9.9353 9.9353 9.9453 9.9453 10.4263 10.4263 10.4318 10.4318 11.2694 11.2694 11.2846 11.2846 12.2256 12.2256 12.2366 12.2366 13.0092 13.0092 13.0220 13.0220 k = 0.4569-0.0000 0.2409 ( 2726 PWs) bands (ev): 0.6746 0.6746 0.6748 0.6748 3.2705 3.2705 3.2730 3.2730 5.1497 5.1497 5.1538 5.1538 7.5541 7.5541 7.5592 7.5592 8.2794 8.2794 8.2858 8.2858 8.6689 8.6689 8.6709 8.6709 9.9396 9.9396 9.9490 9.9490 10.4124 10.4124 10.4171 10.4171 11.2838 11.2838 11.2984 11.2984 12.2272 12.2272 12.2380 12.2380 12.9878 12.9878 13.0012 13.0012 k = 0.4655-0.0000 0.2409 ( 2730 PWs) bands (ev): 0.7256 0.7256 0.7258 0.7258 3.2434 3.2434 3.2457 3.2457 5.1343 5.1343 5.1380 5.1380 7.6085 7.6085 7.6127 7.6127 8.2202 8.2202 8.2263 8.2263 8.6732 8.6732 8.6745 8.6745 9.9431 9.9431 9.9520 9.9520 10.3998 10.3998 10.4039 10.4039 11.2968 11.2968 11.3111 11.3111 12.2284 12.2284 12.2391 12.2391 12.9699 12.9699 12.9838 12.9838 k = 0.4741-0.0000 0.2409 ( 2730 PWs) bands (ev): 0.7670 0.7670 0.7671 0.7671 3.2197 3.2197 3.2218 3.2218 5.1234 5.1234 5.1269 5.1269 7.6594 7.6594 7.6627 7.6627 8.1647 8.1647 8.1709 8.1709 8.6773 8.6773 8.6780 8.6780 9.9458 9.9458 9.9543 9.9543 10.3893 10.3893 10.3928 10.3928 11.3078 11.3078 11.3218 11.3218 12.2294 12.2294 12.2401 12.2401 12.9558 12.9558 12.9700 12.9700 k = 0.4828-0.0000 0.2409 ( 2728 PWs) bands (ev): 0.7975 0.7975 0.7977 0.7977 3.2012 3.2012 3.2033 3.2033 5.1163 5.1163 5.1195 5.1195 7.7040 7.7040 7.7063 7.7063 8.1165 8.1165 8.1232 8.1232 8.6806 8.6806 8.6810 8.6810 9.9477 9.9477 9.9559 9.9559 10.3813 10.3813 10.3844 10.3844 11.3161 11.3161 11.3299 11.3299 12.2302 12.2302 12.2407 12.2407 12.9456 12.9456 12.9601 12.9601 k = 0.4914-0.0000 0.2409 ( 2720 PWs) bands (ev): 0.8163 0.8163 0.8165 0.8165 3.1895 3.1895 3.1916 3.1916 5.1123 5.1123 5.1154 5.1154 7.7366 7.7366 7.7381 7.7381 8.0817 8.0817 8.0889 8.0889 8.6828 8.6828 8.6829 8.6829 9.9489 9.9489 9.9569 9.9569 10.3763 10.3763 10.3792 10.3792 11.3213 11.3213 11.3350 11.3350 12.2307 12.2307 12.2411 12.2411 12.9394 12.9394 12.9541 12.9541 k = 0.5000-0.0000 0.2409 ( 2716 PWs) bands (ev): 0.8226 0.8226 0.8228 0.8228 3.1855 3.1855 3.1875 3.1875 5.1111 5.1111 5.1141 5.1141 7.7490 7.7490 7.7501 7.7501 8.0685 8.0685 8.0760 8.0760 8.6835 8.6835 8.6836 8.6836 9.9493 9.9493 9.9573 9.9573 10.3746 10.3746 10.3775 10.3775 11.3231 11.3231 11.3367 11.3367 12.2309 12.2309 12.2413 12.2413 12.9374 12.9374 12.9521 12.9521 k = 0.5000-0.0000 0.2409 ( 2716 PWs) bands (ev): 0.8226 0.8226 0.8228 0.8228 3.1855 3.1855 3.1875 3.1875 5.1111 5.1111 5.1141 5.1141 7.7490 7.7490 7.7501 7.7501 8.0685 8.0685 8.0760 8.0760 8.6835 8.6835 8.6836 8.6836 9.9493 9.9493 9.9573 9.9573 10.3746 10.3746 10.3775 10.3775 11.3231 11.3231 11.3367 11.3367 12.2309 12.2309 12.2413 12.2413 12.9374 12.9374 12.9521 12.9521 k = 0.5000 0.0086 0.2409 ( 2720 PWs) bands (ev): 0.8226 0.8226 0.8228 0.8228 3.1867 3.1867 3.1886 3.1886 5.1105 5.1105 5.1135 5.1135 7.7430 7.7430 7.7440 7.7440 8.0698 8.0698 8.0773 8.0773 8.6826 8.6826 8.6826 8.6826 9.9533 9.9533 9.9615 9.9615 10.3760 10.3760 10.3790 10.3790 11.3200 11.3200 11.3336 11.3336 12.2318 12.2318 12.2420 12.2420 12.9411 12.9411 12.9556 12.9556 k = 0.5000 0.0171 0.2409 ( 2724 PWs) bands (ev): 0.8227 0.8227 0.8229 0.8229 3.1900 3.1900 3.1920 3.1920 5.1090 5.1090 5.1119 5.1119 7.7254 7.7254 7.7262 7.7262 8.0735 8.0735 8.0811 8.0811 8.6798 8.6798 8.6800 8.6800 9.9652 9.9652 9.9739 9.9739 10.3800 10.3800 10.3836 10.3836 11.3110 11.3110 11.3243 11.3243 12.2344 12.2344 12.2439 12.2439 12.9522 12.9522 12.9660 12.9660 k = 0.5000 0.0257 0.2409 ( 2724 PWs) bands (ev): 0.8228 0.8228 0.8230 0.8230 3.1956 3.1956 3.1975 3.1975 5.1065 5.1065 5.1093 5.1093 7.6969 7.6969 7.6973 7.6973 8.0791 8.0791 8.0868 8.0868 8.6758 8.6758 8.6762 8.6762 9.9842 9.9842 9.9937 9.9937 10.3867 10.3867 10.3912 10.3912 11.2964 11.2964 11.3095 11.3095 12.2388 12.2388 12.2471 12.2471 12.9704 12.9704 12.9830 12.9830 k = 0.5000 0.0342 0.2409 ( 2728 PWs) bands (ev): 0.8230 0.8230 0.8232 0.8232 3.2035 3.2035 3.2053 3.2053 5.1031 5.1031 5.1056 5.1056 7.6584 7.6584 7.6585 7.6585 8.0861 8.0861 8.0938 8.0938 8.6711 8.6711 8.6719 8.6719 10.0091 10.0091 10.0198 10.0198 10.3959 10.3959 10.4015 10.4015 11.2770 11.2770 11.2896 11.2896 12.2447 12.2447 12.2515 12.2515 12.9952 12.9952 13.0064 13.0064 k = 0.5000 0.0428 0.2409 ( 2724 PWs) bands (ev): 0.8232 0.8232 0.8235 0.8235 3.2135 3.2135 3.2152 3.2152 5.0987 5.0987 5.1011 5.1011 7.6107 7.6107 7.6111 7.6111 8.0939 8.0939 8.1016 8.1016 8.6665 8.6665 8.6677 8.6677 10.0386 10.0386 10.0507 10.0507 10.4074 10.4074 10.4144 10.4144 11.2535 11.2535 11.2656 11.2656 12.2520 12.2520 12.2571 12.2571 13.0262 13.0262 13.0356 13.0356 k = 0.5000 0.0514 0.2409 ( 2724 PWs) bands (ev): 0.8235 0.8235 0.8238 0.8238 3.2256 3.2256 3.2273 3.2273 5.0935 5.0935 5.0956 5.0956 7.5550 7.5550 7.5559 7.5559 8.1022 8.1022 8.1099 8.1099 8.6627 8.6627 8.6642 8.6642 10.0712 10.0712 10.0849 10.0849 10.4208 10.4208 10.4294 10.4294 11.2268 11.2268 11.2384 11.2384 12.2605 12.2605 12.2638 12.2638 13.0625 13.0625 13.0701 13.0701 k = 0.5000 0.0599 0.2409 ( 2728 PWs) bands (ev): 0.8239 0.8239 0.8241 0.8241 3.2399 3.2399 3.2414 3.2414 5.0875 5.0875 5.0892 5.0892 7.4925 7.4925 7.4939 7.4939 8.1109 8.1109 8.1185 8.1185 8.6601 8.6601 8.6620 8.6620 10.1056 10.1056 10.1211 10.1211 10.4358 10.4358 10.4461 10.4461 11.1981 11.1981 11.2091 11.2091 12.2700 12.2700 12.2715 12.2715 13.1038 13.1038 13.1094 13.1094 k = 0.5000 0.0685 0.2409 ( 2728 PWs) bands (ev): 0.8242 0.8242 0.8245 0.8245 3.2562 3.2562 3.2576 3.2576 5.0807 5.0807 5.0821 5.0821 7.4241 7.4241 7.4259 7.4259 8.1199 8.1199 8.1274 8.1274 8.6590 8.6590 8.6613 8.6613 10.1407 10.1407 10.1579 10.1579 10.4519 10.4519 10.4640 10.4640 11.1684 11.1684 11.1786 11.1786 12.2802 12.2802 12.2806 12.2806 13.1492 13.1492 13.1530 13.1530 k = 0.5000 0.0770 0.2409 ( 2728 PWs) bands (ev): 0.8247 0.8247 0.8249 0.8249 3.2745 3.2745 3.2757 3.2757 5.0734 5.0734 5.0744 5.0744 7.3509 7.3509 7.3531 7.3531 8.1290 8.1290 8.1364 8.1364 8.6596 8.6596 8.6622 8.6622 10.1752 10.1752 10.1940 10.1940 10.4688 10.4688 10.4824 10.4824 11.1387 11.1387 11.1480 11.1480 12.2898 12.2898 12.2919 12.2920 13.1984 13.1984 13.2003 13.2003 k = 0.5000 0.0856 0.2409 ( 2732 PWs) bands (ev): 0.8251 0.8251 0.8254 0.8254 3.2948 3.2948 3.2958 3.2958 5.0655 5.0655 5.0660 5.0660 7.2737 7.2737 7.2763 7.2763 8.1384 8.1384 8.1455 8.1455 8.6619 8.6619 8.6648 8.6648 10.2081 10.2081 10.2284 10.2284 10.4859 10.4859 10.5006 10.5006 11.1100 11.1100 11.1183 11.1183 12.3003 12.3003 12.3040 12.3040 13.2506 13.2506 13.2509 13.2509 k = 0.5000 0.0942 0.2409 ( 2728 PWs) bands (ev): 0.8256 0.8256 0.8259 0.8259 3.3168 3.3168 3.3176 3.3176 5.0571 5.0571 5.0572 5.0572 7.1933 7.1933 7.1963 7.1963 8.1479 8.1479 8.1548 8.1548 8.6659 8.6659 8.6691 8.6691 10.2387 10.2387 10.2599 10.2599 10.5031 10.5031 10.5183 10.5183 11.0834 11.0834 11.0906 11.0906 12.3114 12.3114 12.3165 12.3165 13.3044 13.3044 13.3055 13.3055 k = 0.5000 0.1027 0.2409 ( 2728 PWs) bands (ev): 0.8262 0.8262 0.8265 0.8265 3.3406 3.3406 3.3412 3.3412 5.0480 5.0480 5.0484 5.0484 7.1107 7.1107 7.1140 7.1140 8.1577 8.1577 8.1643 8.1643 8.6714 8.6714 8.6748 8.6748 10.2659 10.2659 10.2875 10.2875 10.5202 10.5202 10.5350 10.5350 11.0599 11.0599 11.0656 11.0656 12.3231 12.3231 12.3294 12.3294 13.3600 13.3600 13.3624 13.3624 k = 0.5000 0.1113 0.2409 ( 2736 PWs) bands (ev): 0.8267 0.8267 0.8270 0.8270 3.3659 3.3659 3.3663 3.3663 5.0385 5.0385 5.0395 5.0395 7.0265 7.0265 7.0301 7.0301 8.1676 8.1676 8.1739 8.1739 8.6783 8.6783 8.6818 8.6818 10.2886 10.2886 10.3098 10.3098 10.5372 10.5372 10.5508 10.5508 11.0402 11.0402 11.0444 11.0444 12.3351 12.3351 12.3424 12.3424 13.4172 13.4172 13.4205 13.4205 k = 0.5000 0.1198 0.2409 ( 2740 PWs) bands (ev): 0.8273 0.8273 0.8276 0.8276 3.3928 3.3928 3.3930 3.3930 5.0289 5.0289 5.0304 5.0304 6.9414 6.9414 6.9454 6.9454 8.1777 8.1777 8.1836 8.1836 8.6864 8.6864 8.6900 8.6900 10.3059 10.3059 10.3260 10.3260 10.5545 10.5545 10.5659 10.5659 11.0250 11.0250 11.0274 11.0274 12.3473 12.3473 12.3554 12.3554 13.4752 13.4752 13.4793 13.4793 k = 0.5000 0.1284 0.2409 ( 2740 PWs) bands (ev): 0.8279 0.8279 0.8282 0.8282 3.4209 3.4209 3.4210 3.4210 5.0193 5.0193 5.0213 5.0213 6.8560 6.8560 6.8603 6.8603 8.1879 8.1879 8.1935 8.1935 8.6954 8.6954 8.6991 8.6991 10.3170 10.3170 10.3352 10.3352 10.5722 10.5722 10.5808 10.5808 11.0146 11.0146 11.0153 11.0153 12.3596 12.3596 12.3683 12.3683 13.5333 13.5333 13.5378 13.5378 k = 0.5000 0.1370 0.2409 ( 2736 PWs) bands (ev): 0.8285 0.8285 0.8288 0.8288 3.4500 3.4500 3.4503 3.4503 5.0097 5.0097 5.0123 5.0123 6.7710 6.7710 6.7755 6.7755 8.1982 8.1982 8.2034 8.2034 8.7053 8.7053 8.7091 8.7091 10.3214 10.3214 10.3375 10.3375 10.5904 10.5904 10.5958 10.5958 11.0083 11.0083 11.0092 11.0092 12.3718 12.3718 12.3808 12.3808 13.5903 13.5903 13.5951 13.5951 k = 0.5000 0.1455 0.2409 ( 2724 PWs) bands (ev): 0.8292 0.8292 0.8295 0.8295 3.4800 3.4800 3.4805 3.4805 5.0003 5.0003 5.0035 5.0035 6.6869 6.6869 6.6917 6.6917 8.2085 8.2085 8.2133 8.2133 8.7158 8.7158 8.7196 8.7196 10.3194 10.3194 10.3334 10.3334 10.6086 10.6086 10.6110 10.6110 11.0063 11.0063 11.0087 11.0087 12.3837 12.3837 12.3929 12.3929 13.6452 13.6452 13.6500 13.6500 k = 0.5000 0.1541 0.2409 ( 2728 PWs) bands (ev): 0.8298 0.8298 0.8301 0.8301 3.5107 3.5107 3.5115 3.5115 4.9912 4.9912 4.9950 4.9950 6.6042 6.6042 6.6092 6.6092 8.2188 8.2188 8.2232 8.2232 8.7266 8.7266 8.7305 8.7305 10.3117 10.3117 10.3239 10.3239 10.6257 10.6257 10.6258 10.6258 11.0092 11.0092 11.0127 11.0127 12.3952 12.3952 12.4044 12.4044 13.6967 13.6967 13.7013 13.7013 k = 0.5000 0.1626 0.2409 ( 2724 PWs) bands (ev): 0.8304 0.8304 0.8307 0.8307 3.5420 3.5420 3.5430 3.5430 4.9826 4.9826 4.9868 4.9868 6.5234 6.5234 6.5286 6.5286 8.2289 8.2289 8.2330 8.2330 8.7378 8.7378 8.7416 8.7416 10.2996 10.2996 10.3103 10.3103 10.6398 10.6398 10.6413 10.6413 11.0168 11.0168 11.0208 11.0208 12.4061 12.4061 12.4152 12.4152 13.7437 13.7437 13.7479 13.7479 k = 0.5000 0.1712 0.2409 ( 2728 PWs) bands (ev): 0.8310 0.8310 0.8313 0.8313 3.5734 3.5734 3.5746 3.5746 4.9744 4.9744 4.9791 4.9791 6.4451 6.4451 6.4504 6.4504 8.2389 8.2389 8.2426 8.2426 8.7489 8.7489 8.7527 8.7527 10.2843 10.2843 10.2937 10.2937 10.6522 10.6522 10.6546 10.6546 11.0284 11.0284 11.0326 11.0326 12.4163 12.4163 12.4252 12.4252 13.7850 13.7850 13.7888 13.7888 k = 0.5000 0.1798 0.2409 ( 2724 PWs) bands (ev): 0.8316 0.8316 0.8319 0.8319 3.6047 3.6047 3.6061 3.6061 4.9669 4.9669 4.9720 4.9720 6.3698 6.3698 6.3752 6.3752 8.2486 8.2486 8.2519 8.2519 8.7600 8.7600 8.7637 8.7637 10.2669 10.2669 10.2754 10.2754 10.6628 10.6628 10.6655 10.6655 11.0435 11.0435 11.0475 11.0475 12.4259 12.4259 12.4343 12.4343 13.8199 13.8199 13.8233 13.8233 k = 0.5000 0.1883 0.2409 ( 2724 PWs) bands (ev): 0.8322 0.8322 0.8325 0.8325 3.6355 3.6355 3.6371 3.6371 4.9600 4.9600 4.9655 4.9655 6.2980 6.2980 6.3035 6.3035 8.2579 8.2579 8.2608 8.2608 8.7708 8.7708 8.7743 8.7743 10.2486 10.2486 10.2562 10.2562 10.6713 10.6713 10.6738 10.6738 11.0612 11.0612 11.0647 11.0647 12.4347 12.4347 12.4426 12.4426 13.8478 13.8478 13.8508 13.8508 k = 0.5000 0.1969 0.2409 ( 2728 PWs) bands (ev): 0.8327 0.8327 0.8330 0.8330 3.6655 3.6655 3.6672 3.6672 4.9540 4.9540 4.9597 4.9597 6.2303 6.2303 6.2357 6.2357 8.2667 8.2667 8.2693 8.2693 8.7811 8.7811 8.7844 8.7844 10.2301 10.2301 10.2370 10.2370 10.6776 10.6776 10.6797 10.6797 11.0806 11.0806 11.0836 11.0836 12.4426 12.4426 12.4500 12.4500 13.8689 13.8689 13.8716 13.8716 k = 0.5000 0.2054 0.2409 ( 2720 PWs) bands (ev): 0.8332 0.8332 0.8335 0.8335 3.6942 3.6942 3.6959 3.6959 4.9487 4.9487 4.9545 4.9545 6.1673 6.1673 6.1726 6.1726 8.2750 8.2750 8.2772 8.2772 8.7909 8.7909 8.7940 8.7940 10.2122 10.2122 10.2183 10.2183 10.6821 10.6821 10.6838 10.6838 11.1010 11.1010 11.1033 11.1033 12.4498 12.4498 12.4566 12.4566 13.8836 13.8836 13.8860 13.8860 k = 0.5000 0.2140 0.2409 ( 2720 PWs) bands (ev): 0.8337 0.8337 0.8339 0.8339 3.7211 3.7211 3.7229 3.7229 4.9443 4.9443 4.9501 4.9501 6.1096 6.1096 6.1147 6.1147 8.2826 8.2826 8.2845 8.2845 8.7998 8.7998 8.8027 8.8027 10.1953 10.1953 10.2008 10.2008 10.6850 10.6850 10.6862 10.6862 11.1212 11.1212 11.1230 11.1230 12.4561 12.4561 12.4622 12.4622 13.8928 13.8928 13.8948 13.8948 k = 0.5000 0.2226 0.2409 ( 2724 PWs) bands (ev): 0.8341 0.8341 0.8343 0.8343 3.7459 3.7459 3.7476 3.7476 4.9408 4.9408 4.9463 4.9463 6.0578 6.0578 6.0626 6.0626 8.2894 8.2894 8.2910 8.2910 8.8079 8.8079 8.8105 8.8105 10.1800 10.1800 10.1847 10.1847 10.6866 10.6866 10.6874 10.6874 11.1406 11.1406 11.1419 11.1419 12.4616 12.4616 12.4669 12.4669 13.8975 13.8975 13.8993 13.8993 k = 0.5000 0.2311 0.2409 ( 2728 PWs) bands (ev): 0.8345 0.8345 0.8347 0.8347 3.7679 3.7679 3.7695 3.7695 4.9382 4.9382 4.9432 4.9432 6.0126 6.0126 6.0169 6.0169 8.2953 8.2953 8.2967 8.2967 8.8151 8.8151 8.8172 8.8172 10.1665 10.1665 10.1705 10.1705 10.6873 10.6873 10.6878 10.6878 11.1583 11.1583 11.1592 11.1592 12.4663 12.4663 12.4708 12.4708 13.8989 13.8989 13.9005 13.9005 k = 0.5000 0.2397 0.2409 ( 2736 PWs) bands (ev): 0.8348 0.8348 0.8349 0.8349 3.7868 3.7868 3.7882 3.7882 4.9363 4.9363 4.9406 4.9406 5.9747 5.9747 5.9783 5.9783 8.3003 8.3003 8.3014 8.3014 8.8211 8.8211 8.8229 8.8229 10.1552 10.1552 10.1584 10.1584 10.6874 10.6874 10.6877 10.6877 11.1737 11.1737 11.1743 11.1743 12.4702 12.4702 12.4738 12.4738 13.8983 13.8983 13.8995 13.8995 k = 0.5000 0.2482 0.2409 ( 2744 PWs) bands (ev): 0.8350 0.8350 0.8352 0.8352 3.8020 3.8020 3.8032 3.8032 4.9351 4.9351 4.9386 4.9386 5.9445 5.9445 5.9474 5.9474 8.3043 8.3043 8.3051 8.3051 8.8259 8.8259 8.8273 8.8273 10.1463 10.1463 10.1488 10.1488 10.6871 10.6871 10.6873 10.6873 11.1863 11.1863 11.1867 11.1867 12.4732 12.4732 12.4760 12.4760 13.8966 13.8966 13.8976 13.8976 k = 0.5000 0.2568 0.2409 ( 2748 PWs) bands (ev): 0.8352 0.8352 0.8353 0.8353 3.8133 3.8133 3.8141 3.8141 4.9346 4.9346 4.9371 4.9371 5.9228 5.9228 5.9248 5.9248 8.3073 8.3073 8.3078 8.3078 8.8294 8.8294 8.8304 8.8304 10.1399 10.1399 10.1416 10.1416 10.6868 10.6868 10.6869 10.6869 11.1956 11.1956 11.1958 11.1958 12.4755 12.4755 12.4774 12.4774 13.8948 13.8948 13.8955 13.8955 k = 0.5000 0.2654 0.2409 ( 2752 PWs) bands (ev): 0.8353 0.8353 0.8354 0.8354 3.8203 3.8203 3.8207 3.8207 4.9346 4.9346 4.9359 4.9359 5.9097 5.9097 5.9108 5.9108 8.3091 8.3091 8.3094 8.3094 8.8317 8.8317 8.8321 8.8321 10.1363 10.1363 10.1371 10.1371 10.6865 10.6865 10.6866 10.6866 11.2013 11.2013 11.2014 11.2014 12.4771 12.4771 12.4780 12.4780 13.8936 13.8936 13.8939 13.8939 k = 0.5000 0.2739 0.2409 ( 2760 PWs) bands (ev): 0.8353 0.8353 0.8354 0.8354 3.8228 3.8228 3.8228 3.8228 4.9350 4.9350 4.9351 4.9351 5.9057 5.9057 5.9057 5.9057 8.3098 8.3098 8.3098 8.3098 8.8326 8.8326 8.8326 8.8326 10.1353 10.1353 10.1353 10.1353 10.6864 10.6864 10.6864 10.6864 11.2033 11.2033 11.2033 11.2033 12.4779 12.4779 12.4780 12.4780 13.8932 13.8932 13.8932 13.8932 k = 0.5000 0.2739 0.2409 ( 2760 PWs) bands (ev): 0.8353 0.8353 0.8354 0.8354 3.8228 3.8228 3.8228 3.8228 4.9350 4.9350 4.9351 4.9351 5.9057 5.9057 5.9057 5.9057 8.3098 8.3098 8.3098 8.3098 8.8326 8.8326 8.8326 8.8326 10.1353 10.1353 10.1353 10.1353 10.6864 10.6864 10.6864 10.6864 11.2033 11.2033 11.2033 11.2033 12.4779 12.4779 12.4780 12.4780 13.8932 13.8932 13.8932 13.8932 k = 0.4914 0.2739 0.2409 ( 2748 PWs) bands (ev): 0.8314 0.8314 0.8315 0.8315 3.8140 3.8140 3.8141 3.8141 4.9406 4.9406 4.9407 4.9407 5.9154 5.9154 5.9154 5.9154 8.3104 8.3104 8.3105 8.3105 8.8310 8.8310 8.8310 8.8310 10.1349 10.1349 10.1350 10.1350 10.6860 10.6860 10.6860 10.6860 11.2027 11.2027 11.2028 11.2028 12.4775 12.4775 12.4775 12.4775 13.8924 13.8924 13.8925 13.8925 k = 0.4828 0.2739 0.2409 ( 2744 PWs) bands (ev): 0.8196 0.8196 0.8197 0.8197 3.7882 3.7882 3.7883 3.7883 4.9574 4.9574 4.9574 4.9574 5.9438 5.9438 5.9439 5.9439 8.3124 8.3124 8.3125 8.3125 8.8263 8.8263 8.8264 8.8264 10.1339 10.1339 10.1339 10.1339 10.6846 10.6846 10.6846 10.6846 11.2011 11.2011 11.2011 11.2011 12.4760 12.4760 12.4761 12.4761 13.8901 13.8901 13.8901 13.8901 k = 0.4741 0.2739 0.2409 ( 2736 PWs) bands (ev): 0.8002 0.8002 0.8003 0.8003 3.7468 3.7468 3.7469 3.7469 4.9850 4.9850 4.9850 4.9850 5.9896 5.9896 5.9896 5.9896 8.3157 8.3157 8.3158 8.3158 8.8187 8.8187 8.8187 8.8187 10.1321 10.1321 10.1322 10.1322 10.6823 10.6823 10.6824 10.6824 11.1985 11.1985 11.1985 11.1985 12.4735 12.4735 12.4736 12.4736 13.8862 13.8862 13.8863 13.8863 k = 0.4655 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.7735 0.7735 0.7736 0.7736 3.6918 3.6918 3.6918 3.6918 5.0231 5.0231 5.0232 5.0232 6.0506 6.0506 6.0506 6.0506 8.3204 8.3204 8.3204 8.3204 8.8082 8.8082 8.8082 8.8082 10.1297 10.1297 10.1297 10.1297 10.6791 10.6791 10.6791 10.6791 11.1949 11.1949 11.1950 11.1950 12.4701 12.4701 12.4701 12.4701 13.8811 13.8811 13.8811 13.8811 k = 0.4569 0.2739 0.2409 ( 2728 PWs) bands (ev): 0.7399 0.7399 0.7400 0.7400 3.6253 3.6253 3.6253 3.6253 5.0712 5.0712 5.0713 5.0713 6.1244 6.1244 6.1244 6.1244 8.3263 8.3263 8.3263 8.3263 8.7951 8.7951 8.7951 8.7951 10.1265 10.1265 10.1266 10.1266 10.6748 10.6748 10.6749 10.6749 11.1906 11.1906 11.1906 11.1906 12.4657 12.4657 12.4658 12.4658 13.8747 13.8747 13.8747 13.8747 k = 0.4483 0.2739 0.2409 ( 2728 PWs) bands (ev): 0.7001 0.7001 0.7002 0.7002 3.5496 3.5496 3.5496 3.5496 5.1288 5.1288 5.1289 5.1289 6.2086 6.2086 6.2086 6.2086 8.3335 8.3335 8.3335 8.3335 8.7797 8.7797 8.7797 8.7797 10.1227 10.1227 10.1228 10.1228 10.6695 10.6695 10.6696 10.6696 11.1856 11.1856 11.1856 11.1856 12.4606 12.4606 12.4607 12.4607 13.8672 13.8672 13.8673 13.8673 k = 0.4397 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.6545 0.6545 0.6546 0.6546 3.4666 3.4666 3.4667 3.4667 5.1951 5.1951 5.1952 5.1952 6.3009 6.3009 6.3009 6.3009 8.3419 8.3419 8.3420 8.3420 8.7624 8.7624 8.7624 8.7624 10.1183 10.1183 10.1184 10.1184 10.6632 10.6632 10.6633 10.6633 11.1802 11.1802 11.1802 11.1802 12.4551 12.4551 12.4552 12.4552 13.8590 13.8590 13.8590 13.8590 k = 0.4310 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.6038 0.6038 0.6039 0.6039 3.3781 3.3781 3.3781 3.3781 5.2694 5.2694 5.2695 5.2695 6.3992 6.3992 6.3993 6.3993 8.3516 8.3516 8.3517 8.3517 8.7438 8.7438 8.7438 8.7438 10.1134 10.1134 10.1135 10.1135 10.6558 10.6558 10.6558 10.6558 11.1745 11.1745 11.1746 11.1746 12.4491 12.4491 12.4492 12.4492 13.8501 13.8501 13.8501 13.8501 k = 0.4224 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.5486 0.5486 0.5487 0.5487 3.2854 3.2854 3.2854 3.2854 5.3511 5.3511 5.3511 5.3511 6.5017 6.5017 6.5017 6.5017 8.3625 8.3625 8.3626 8.3626 8.7243 8.7243 8.7243 8.7243 10.1081 10.1081 10.1081 10.1081 10.6472 10.6472 10.6472 10.6472 11.1689 11.1689 11.1689 11.1689 12.4429 12.4429 12.4430 12.4430 13.8408 13.8408 13.8408 13.8408 k = 0.4138 0.2739 0.2409 ( 2720 PWs) bands (ev): 0.4895 0.4895 0.4896 0.4896 3.1896 3.1896 3.1897 3.1897 5.4393 5.4393 5.4394 5.4394 6.6066 6.6066 6.6066 6.6066 8.3746 8.3746 8.3747 8.3747 8.7047 8.7047 8.7047 8.7047 10.1024 10.1024 10.1024 10.1024 10.6375 10.6375 10.6375 10.6375 11.1634 11.1634 11.1635 11.1635 12.4368 12.4368 12.4369 12.4369 13.8312 13.8312 13.8312 13.8312 k = 0.4052 0.2739 0.2409 ( 2720 PWs) bands (ev): 0.4271 0.4271 0.4272 0.4272 3.0918 3.0918 3.0918 3.0918 5.5333 5.5333 5.5334 5.5334 6.7121 6.7121 6.7121 6.7121 8.3879 8.3879 8.3879 8.3879 8.6857 8.6857 8.6858 8.6858 10.0966 10.0966 10.0966 10.0966 10.6265 10.6265 10.6266 10.6266 11.1584 11.1584 11.1584 11.1584 12.4310 12.4310 12.4311 12.4311 13.8216 13.8216 13.8216 13.8216 k = 0.3966 0.2739 0.2409 ( 2720 PWs) bands (ev): 0.3619 0.3619 0.3620 0.3620 2.9926 2.9926 2.9927 2.9927 5.6324 5.6324 5.6325 5.6325 6.8165 6.8165 6.8165 6.8165 8.4022 8.4022 8.4023 8.4023 8.6685 8.6685 8.6685 8.6685 10.0907 10.0907 10.0908 10.0908 10.6144 10.6144 10.6144 10.6144 11.1539 11.1539 11.1540 11.1540 12.4258 12.4258 12.4259 12.4259 13.8120 13.8120 13.8120 13.8120 k = 0.3879 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.2944 0.2944 0.2945 0.2945 2.8928 2.8928 2.8928 2.8928 5.7359 5.7359 5.7359 5.7359 6.9181 6.9181 6.9181 6.9181 8.4177 8.4177 8.4177 8.4177 8.6541 8.6541 8.6542 8.6542 10.0852 10.0852 10.0852 10.0852 10.6010 10.6010 10.6010 10.6010 11.1503 11.1503 11.1503 11.1503 12.4215 12.4215 12.4216 12.4216 13.8027 13.8027 13.8027 13.8027 k = 0.3793 0.2739 0.2409 ( 2724 PWs) bands (ev): 0.2251 0.2251 0.2252 0.2252 2.7927 2.7927 2.7927 2.7927 5.8430 5.8430 5.8430 5.8430 7.0150 7.0150 7.0150 7.0150 8.4342 8.4342 8.4343 8.4343 8.6439 8.6439 8.6440 8.6440 10.0801 10.0801 10.0801 10.0801 10.5864 10.5864 10.5864 10.5864 11.1475 11.1475 11.1475 11.1475 12.4186 12.4186 12.4187 12.4187 13.7937 13.7937 13.7937 13.7937 k = 0.3707 0.2739 0.2409 ( 2732 PWs) bands (ev): 0.1544 0.1544 0.1545 0.1545 2.6928 2.6928 2.6928 2.6928 5.9530 5.9530 5.9531 5.9531 7.1051 7.1051 7.1051 7.1051 8.4517 8.4517 8.4518 8.4518 8.6395 8.6395 8.6395 8.6395 10.0759 10.0759 10.0759 10.0759 10.5706 10.5706 10.5707 10.5707 11.1457 11.1457 11.1458 11.1458 12.4174 12.4174 12.4174 12.4174 13.7852 13.7852 13.7852 13.7852 k = 0.3621 0.2739 0.2409 ( 2736 PWs) bands (ev): 0.0827 0.0827 0.0828 0.0828 2.5934 2.5934 2.5934 2.5934 6.0652 6.0652 6.0653 6.0653 7.1865 7.1865 7.1865 7.1865 8.4702 8.4702 8.4703 8.4703 8.6424 8.6424 8.6424 8.6424 10.0728 10.0728 10.0728 10.0728 10.5537 10.5537 10.5537 10.5537 11.1451 11.1451 11.1451 11.1451 12.4183 12.4183 12.4184 12.4184 13.7772 13.7772 13.7772 13.7772 k = 0.3534 0.2739 0.2409 ( 2736 PWs) bands (ev): 0.0103 0.0103 0.0104 0.0104 2.4948 2.4948 2.4948 2.4948 6.1789 6.1789 6.1790 6.1790 7.2570 7.2570 7.2570 7.2570 8.4897 8.4897 8.4898 8.4898 8.6542 8.6542 8.6542 8.6542 10.0713 10.0713 10.0713 10.0713 10.5356 10.5356 10.5357 10.5357 11.1457 11.1457 11.1458 11.1458 12.4218 12.4218 12.4219 12.4219 13.7699 13.7699 13.7699 13.7699 k = 0.3448 0.2739 0.2409 ( 2740 PWs) bands (ev): -0.0624 -0.0624 -0.0623 -0.0623 2.3973 2.3973 2.3973 2.3973 6.2934 6.2934 6.2934 6.2934 7.3150 7.3150 7.3151 7.3151 8.5102 8.5102 8.5103 8.5103 8.6761 8.6761 8.6761 8.6761 10.0718 10.0718 10.0718 10.0718 10.5166 10.5166 10.5166 10.5166 11.1476 11.1476 11.1476 11.1476 12.4282 12.4282 12.4283 12.4283 13.7633 13.7633 13.7634 13.7634 k = 0.3362 0.2739 0.2409 ( 2740 PWs) bands (ev): -0.1352 -0.1352 -0.1351 -0.1351 2.3010 2.3010 2.3010 2.3010 6.4078 6.4078 6.4079 6.4079 7.3596 7.3596 7.3596 7.3596 8.5317 8.5317 8.5317 8.5317 8.7087 8.7087 8.7087 8.7087 10.0747 10.0747 10.0748 10.0748 10.4966 10.4966 10.4967 10.4967 11.1507 11.1507 11.1508 11.1508 12.4382 12.4382 12.4382 12.4382 13.7576 13.7576 13.7576 13.7576 k = 0.3276 0.2739 0.2409 ( 2736 PWs) bands (ev): -0.2078 -0.2078 -0.2077 -0.2077 2.2061 2.2061 2.2062 2.2062 6.5216 6.5216 6.5216 6.5216 7.3903 7.3903 7.3903 7.3903 8.5541 8.5541 8.5542 8.5542 8.7518 8.7518 8.7518 8.7518 10.0806 10.0806 10.0806 10.0806 10.4759 10.4759 10.4760 10.4760 11.1552 11.1552 11.1552 11.1552 12.4521 12.4521 12.4522 12.4522 13.7529 13.7529 13.7529 13.7529 k = 0.3190 0.2739 0.2409 ( 2736 PWs) bands (ev): -0.2801 -0.2801 -0.2800 -0.2800 2.1128 2.1128 2.1129 2.1129 6.6337 6.6337 6.6337 6.6337 7.4078 7.4078 7.4078 7.4078 8.5777 8.5777 8.5777 8.5777 8.8042 8.8042 8.8042 8.8042 10.0899 10.0899 10.0899 10.0899 10.4544 10.4544 10.4545 10.4545 11.1609 11.1609 11.1609 11.1609 12.4704 12.4704 12.4705 12.4705 13.7492 13.7492 13.7492 13.7492 k = 0.3103 0.2739 0.2409 ( 2736 PWs) bands (ev): -0.3517 -0.3517 -0.3516 -0.3516 2.0212 2.0212 2.0212 2.0212 6.7434 6.7434 6.7435 6.7435 7.4134 7.4134 7.4135 7.4135 8.6023 8.6023 8.6023 8.6023 8.8642 8.8642 8.8642 8.8642 10.1030 10.1030 10.1030 10.1030 10.4325 10.4325 10.4325 10.4325 11.1678 11.1678 11.1679 11.1679 12.4936 12.4936 12.4937 12.4937 13.7468 13.7468 13.7468 13.7468 k = 0.3017 0.2739 0.2409 ( 2732 PWs) bands (ev): -0.4226 -0.4226 -0.4225 -0.4225 1.9314 1.9314 1.9314 1.9314 6.8499 6.8499 6.8500 6.8500 7.4088 7.4088 7.4088 7.4088 8.6282 8.6282 8.6282 8.6282 8.9294 8.9294 8.9295 8.9295 10.1204 10.1204 10.1205 10.1205 10.4102 10.4102 10.4103 10.4103 11.1760 11.1760 11.1760 11.1760 12.5221 12.5221 12.5221 12.5221 13.7458 13.7458 13.7458 13.7458 k = 0.2931 0.2739 0.2409 ( 2728 PWs) bands (ev): -0.4925 -0.4925 -0.4924 -0.4924 1.8434 1.8434 1.8435 1.8435 6.9523 6.9523 6.9524 6.9524 7.3957 7.3957 7.3957 7.3957 8.6555 8.6555 8.6555 8.6555 8.9978 8.9978 8.9978 8.9978 10.1425 10.1425 10.1425 10.1425 10.3878 10.3878 10.3879 10.3879 11.1853 11.1853 11.1853 11.1853 12.5561 12.5561 12.5561 12.5561 13.7465 13.7465 13.7465 13.7465 k = 0.2845 0.2739 0.2409 ( 2728 PWs) bands (ev): -0.5614 -0.5614 -0.5613 -0.5613 1.7575 1.7575 1.7576 1.7576 7.0498 7.0498 7.0498 7.0498 7.3758 7.3758 7.3758 7.3758 8.6844 8.6844 8.6844 8.6844 9.0669 9.0669 9.0670 9.0670 10.1695 10.1695 10.1695 10.1695 10.3656 10.3656 10.3657 10.3657 11.1955 11.1955 11.1956 11.1956 12.5958 12.5958 12.5959 12.5959 13.7492 13.7492 13.7492 13.7492 k = 0.2759 0.2739 0.2409 ( 2736 PWs) bands (ev): -0.6290 -0.6290 -0.6289 -0.6289 1.6736 1.6736 1.6737 1.6737 7.1415 7.1415 7.1415 7.1415 7.3505 7.3505 7.3505 7.3505 8.7150 8.7150 8.7150 8.7150 9.1349 9.1349 9.1350 9.1350 10.2016 10.2016 10.2016 10.2016 10.3438 10.3438 10.3439 10.3439 11.2068 11.2068 11.2068 11.2068 12.6413 12.6413 12.6413 12.6413 13.7543 13.7543 13.7544 13.7544 k = 0.2672 0.2739 0.2409 ( 2736 PWs) bands (ev): -0.6953 -0.6953 -0.6952 -0.6952 1.5918 1.5918 1.5919 1.5919 7.2268 7.2268 7.2268 7.2268 7.3210 7.3210 7.3210 7.3210 8.7476 8.7476 8.7476 8.7476 9.2001 9.2001 9.2001 9.2001 10.2387 10.2387 10.2387 10.2387 10.3230 10.3230 10.3231 10.3231 11.2188 11.2188 11.2189 11.2189 12.6923 12.6923 12.6924 12.6924 13.7625 13.7625 13.7625 13.7625 k = 0.2586 0.2739 0.2409 ( 2740 PWs) bands (ev): -0.7602 -0.7602 -0.7601 -0.7601 1.5123 1.5123 1.5123 1.5123 7.2882 7.2882 7.2882 7.2882 7.3052 7.3052 7.3052 7.3052 8.7825 8.7825 8.7825 8.7825 9.2609 9.2609 9.2610 9.2610 10.2786 10.2786 10.2787 10.2787 10.3055 10.3055 10.3055 10.3055 11.2317 11.2317 11.2317 11.2317 12.7484 12.7484 12.7485 12.7485 13.7744 13.7744 13.7744 13.7744 k = 0.2500 0.2739 0.2409 ( 2748 PWs) bands (ev): -0.8236 -0.8236 -0.8235 -0.8235 1.4349 1.4349 1.4349 1.4349 7.2534 7.2534 7.2534 7.2534 7.3756 7.3756 7.3756 7.3756 8.8197 8.8197 8.8197 8.8197 9.3164 9.3164 9.3165 9.3165 10.2809 10.2809 10.2809 10.2809 10.3317 10.3317 10.3318 10.3318 11.2451 11.2451 11.2451 11.2451 12.8088 12.8088 12.8089 12.8089 13.7909 13.7909 13.7909 13.7909 k = 0.2414 0.2739 0.2409 ( 2748 PWs) bands (ev): -0.8854 -0.8854 -0.8853 -0.8853 1.3598 1.3598 1.3599 1.3599 7.2169 7.2169 7.2169 7.2169 7.4384 7.4384 7.4384 7.4384 8.8594 8.8594 8.8594 8.8594 9.3657 9.3657 9.3658 9.3658 10.2645 10.2645 10.2646 10.2646 10.3827 10.3827 10.3827 10.3827 11.2590 11.2590 11.2590 11.2590 12.8722 12.8722 12.8723 12.8723 13.8134 13.8134 13.8134 13.8134 k = 0.2328 0.2739 0.2409 ( 2744 PWs) bands (ev): -0.9455 -0.9455 -0.9454 -0.9454 1.2871 1.2871 1.2871 1.2871 7.1793 7.1793 7.1793 7.1793 7.4933 7.4933 7.4933 7.4933 8.9015 8.9015 8.9015 8.9015 9.4082 9.4082 9.4083 9.4083 10.2493 10.2493 10.2493 10.2493 10.4381 10.4381 10.4382 10.4382 11.2733 11.2733 11.2733 11.2733 12.9370 12.9370 12.9371 12.9371 13.8433 13.8433 13.8433 13.8433 k = 0.2241 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.0038 -1.0038 -1.0037 -1.0037 1.2167 1.2167 1.2168 1.2168 7.1410 7.1410 7.1410 7.1410 7.5404 7.5404 7.5404 7.5404 8.9460 8.9460 8.9460 8.9460 9.4435 9.4435 9.4436 9.4436 10.2360 10.2360 10.2360 10.2360 10.4965 10.4965 10.4966 10.4966 11.2876 11.2876 11.2876 11.2876 13.0011 13.0011 13.0011 13.0011 13.8822 13.8822 13.8822 13.8822 k = 0.2155 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.0603 -1.0603 -1.0603 -1.0603 1.1488 1.1488 1.1488 1.1488 7.1025 7.1025 7.1025 7.1025 7.5801 7.5801 7.5801 7.5801 8.9927 8.9927 8.9928 8.9928 9.4717 9.4717 9.4718 9.4718 10.2248 10.2248 10.2248 10.2248 10.5568 10.5568 10.5569 10.5569 11.3018 11.3018 11.3019 11.3019 13.0622 13.0622 13.0622 13.0622 13.9296 13.9296 13.9296 13.9296 k = 0.2069 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.1150 -1.1150 -1.1149 -1.1149 1.0833 1.0833 1.0833 1.0833 7.0640 7.0640 7.0640 7.0640 7.6129 7.6129 7.6129 7.6129 9.0415 9.0415 9.0415 9.0415 9.4930 9.4930 9.4931 9.4931 10.2157 10.2157 10.2158 10.2158 10.6177 10.6177 10.6178 10.6178 11.3156 11.3156 11.3157 11.3157 13.1182 13.1182 13.1183 13.1183 13.9398 13.9398 13.9398 13.9398 k = 0.1983 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.1677 -1.1677 -1.1676 -1.1676 1.0202 1.0202 1.0203 1.0203 7.0259 7.0259 7.0259 7.0259 7.6393 7.6393 7.6393 7.6393 9.0920 9.0920 9.0920 9.0920 9.5077 9.5077 9.5078 9.5078 10.2088 10.2088 10.2088 10.2088 10.6780 10.6780 10.6781 10.6781 11.3287 11.3287 11.3287 11.3287 13.1676 13.1676 13.1676 13.1676 13.9352 13.9352 13.9353 13.9353 k = 0.1897 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.2185 -1.2185 -1.2184 -1.2184 0.9597 0.9597 0.9597 0.9597 6.9883 6.9883 6.9883 6.9883 7.6601 7.6601 7.6601 7.6601 9.1439 9.1439 9.1440 9.1440 9.5166 9.5166 9.5166 9.5166 10.2037 10.2037 10.2038 10.2038 10.7364 10.7364 10.7364 10.7364 11.3407 11.3407 11.3407 11.3407 13.2094 13.2094 13.2095 13.2095 13.9415 13.9415 13.9416 13.9416 k = 0.1810 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.2672 -1.2672 -1.2671 -1.2671 0.9017 0.9017 0.9017 0.9017 6.9515 6.9515 6.9515 6.9515 7.6759 7.6759 7.6759 7.6759 9.1971 9.1971 9.1971 9.1971 9.5202 9.5202 9.5203 9.5203 10.2002 10.2002 10.2002 10.2002 10.7915 10.7915 10.7916 10.7916 11.3513 11.3513 11.3513 11.3513 13.2439 13.2439 13.2439 13.2439 13.9605 13.9605 13.9605 13.9605 k = 0.1724 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.3139 -1.3139 -1.3138 -1.3138 0.8462 0.8462 0.8463 0.8463 6.9156 6.9156 6.9156 6.9156 7.6873 7.6873 7.6874 7.6874 9.2511 9.2511 9.2511 9.2511 9.5196 9.5196 9.5197 9.5197 10.1979 10.1979 10.1979 10.1979 10.8423 10.8423 10.8423 10.8423 11.3601 11.3601 11.3602 11.3602 13.2717 13.2717 13.2717 13.2717 13.9929 13.9929 13.9930 13.9930 k = 0.1638 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.3585 -1.3585 -1.3584 -1.3584 0.7934 0.7934 0.7934 0.7934 6.8807 6.8807 6.8808 6.8808 7.6952 7.6952 7.6952 7.6952 9.3056 9.3056 9.3056 9.3056 9.5158 9.5158 9.5158 9.5158 10.1965 10.1965 10.1966 10.1966 10.8877 10.8877 10.8877 10.8877 11.3671 11.3671 11.3671 11.3671 13.2938 13.2938 13.2938 13.2938 14.0396 14.0396 14.0396 14.0396 k = 0.1552 0.2739 0.2409 ( 2768 PWs) bands (ev): -1.4010 -1.4010 -1.4009 -1.4009 0.7431 0.7431 0.7431 0.7431 6.8471 6.8471 6.8471 6.8471 7.6999 7.6999 7.6999 7.6999 9.3599 9.3599 9.3599 9.3599 9.5098 9.5098 9.5099 9.5099 10.1957 10.1957 10.1958 10.1958 10.9267 10.9267 10.9267 10.9267 11.3720 11.3720 11.3720 11.3720 13.3112 13.3112 13.3112 13.3112 14.1006 14.1006 14.1007 14.1007 k = 0.1466 0.2739 0.2409 ( 2764 PWs) bands (ev): -1.4413 -1.4413 -1.4412 -1.4412 0.6954 0.6954 0.6955 0.6955 6.8147 6.8147 6.8148 6.8148 7.7020 7.7020 7.7021 7.7021 9.4120 9.4120 9.4120 9.4120 9.5046 9.5046 9.5047 9.5047 10.1954 10.1954 10.1954 10.1954 10.9586 10.9586 10.9586 10.9586 11.3753 11.3753 11.3753 11.3753 13.3249 13.3249 13.3249 13.3249 14.1759 14.1759 14.1760 14.1760 k = 0.1379 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.4794 -1.4794 -1.4793 -1.4793 0.6504 0.6504 0.6505 0.6505 6.7838 6.7838 6.7839 6.7839 7.7022 7.7022 7.7022 7.7022 9.4512 9.4512 9.4513 9.4513 9.5110 9.5110 9.5111 9.5111 10.1952 10.1952 10.1952 10.1952 10.9827 10.9827 10.9827 10.9827 11.3773 11.3773 11.3773 11.3773 13.3356 13.3356 13.3356 13.3356 14.2651 14.2651 14.2652 14.2652 k = 0.1293 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.5154 -1.5154 -1.5153 -1.5153 0.6080 0.6080 0.6081 0.6081 6.7544 6.7544 6.7545 6.7545 7.7007 7.7007 7.7007 7.7007 9.4581 9.4581 9.4581 9.4581 9.5491 9.5491 9.5492 9.5492 10.1951 10.1951 10.1951 10.1951 10.9983 10.9983 10.9984 10.9984 11.3788 11.3788 11.3788 11.3788 13.3440 13.3440 13.3441 13.3441 14.3672 14.3672 14.3673 14.3673 k = 0.1207 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.5491 -1.5491 -1.5490 -1.5490 0.5683 0.5683 0.5684 0.5684 6.7266 6.7266 6.7266 6.7266 7.6979 7.6979 7.6979 7.6979 9.4497 9.4497 9.4498 9.4498 9.6021 9.6021 9.6021 9.6021 10.1949 10.1949 10.1950 10.1950 11.0051 11.0051 11.0051 11.0051 11.3804 11.3804 11.3805 11.3805 13.3506 13.3506 13.3506 13.3506 14.4813 14.4813 14.4813 14.4813 k = 0.1121 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.5806 -1.5806 -1.5805 -1.5805 0.5313 0.5313 0.5313 0.5313 6.7004 6.7004 6.7004 6.7004 7.6941 7.6941 7.6942 7.6942 9.4380 9.4380 9.4381 9.4381 9.6584 9.6584 9.6584 9.6584 10.1947 10.1947 10.1948 10.1948 11.0029 11.0029 11.0029 11.0029 11.3829 11.3829 11.3830 11.3830 13.3557 13.3557 13.3558 13.3558 14.6058 14.6058 14.6059 14.6059 k = 0.1034 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.6098 -1.6098 -1.6097 -1.6097 0.4970 0.4970 0.4970 0.4970 6.6759 6.6759 6.6759 6.6759 7.6898 7.6898 7.6898 7.6898 9.4255 9.4255 9.4256 9.4256 9.7158 9.7158 9.7158 9.7158 10.1944 10.1944 10.1945 10.1945 10.9920 10.9920 10.9920 10.9920 11.3867 11.3867 11.3867 11.3867 13.3597 13.3597 13.3598 13.3598 14.7393 14.7393 14.7394 14.7394 k = 0.0948 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.6367 -1.6367 -1.6366 -1.6366 0.4653 0.4653 0.4654 0.4654 6.6532 6.6532 6.6532 6.6532 7.6850 7.6850 7.6851 7.6851 9.4129 9.4129 9.4129 9.4129 9.7737 9.7737 9.7738 9.7738 10.1940 10.1940 10.1941 10.1941 10.9731 10.9731 10.9731 10.9731 11.3916 11.3916 11.3916 11.3916 13.3628 13.3628 13.3629 13.3629 14.8800 14.8800 14.8801 14.8801 k = 0.0862 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.6613 -1.6613 -1.6612 -1.6612 0.4364 0.4364 0.4365 0.4365 6.6323 6.6323 6.6323 6.6323 7.6800 7.6800 7.6801 7.6801 9.4005 9.4005 9.4005 9.4005 9.8318 9.8318 9.8319 9.8319 10.1936 10.1936 10.1936 10.1936 10.9472 10.9472 10.9472 10.9472 11.3974 11.3974 11.3974 11.3974 13.3652 13.3652 13.3652 13.3652 15.0261 15.0261 15.0262 15.0262 k = 0.0776 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.6836 -1.6836 -1.6835 -1.6835 0.4102 0.4102 0.4103 0.4103 6.6133 6.6133 6.6133 6.6133 7.6751 7.6751 7.6751 7.6751 9.3887 9.3887 9.3888 9.3888 9.8899 9.8899 9.8900 9.8900 10.1930 10.1930 10.1931 10.1931 10.9153 10.9153 10.9154 10.9154 11.4038 11.4038 11.4038 11.4038 13.3671 13.3671 13.3671 13.3671 15.1754 15.1754 15.1755 15.1755 k = 0.0690 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.7036 -1.7036 -1.7036 -1.7036 0.3868 0.3868 0.3868 0.3868 6.5961 6.5961 6.5962 6.5962 7.6702 7.6702 7.6703 7.6703 9.3779 9.3779 9.3779 9.3779 9.9478 9.9478 9.9479 9.9479 10.1926 10.1926 10.1927 10.1927 10.8786 10.8786 10.8787 10.8787 11.4103 11.4103 11.4104 11.4104 13.3684 13.3684 13.3685 13.3685 15.3256 15.3256 15.3257 15.3257 k = 0.0603 0.2739 0.2409 ( 2764 PWs) bands (ev): -1.7213 -1.7213 -1.7212 -1.7212 0.3661 0.3661 0.3661 0.3661 6.5809 6.5809 6.5810 6.5810 7.6657 7.6657 7.6657 7.6657 9.3679 9.3679 9.3679 9.3679 10.0051 10.0051 10.0052 10.0052 10.1924 10.1924 10.1925 10.1925 10.8381 10.8381 10.8382 10.8382 11.4167 11.4167 11.4167 11.4167 13.3695 13.3695 13.3695 13.3695 15.4739 15.4739 15.4740 15.4740 k = 0.0517 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.7367 -1.7367 -1.7366 -1.7366 0.3481 0.3481 0.3482 0.3482 6.5677 6.5677 6.5678 6.5678 7.6615 7.6615 7.6616 7.6616 9.3591 9.3591 9.3592 9.3592 10.0613 10.0613 10.0613 10.0613 10.1927 10.1927 10.1928 10.1928 10.7948 10.7948 10.7949 10.7949 11.4227 11.4227 11.4228 11.4228 13.3703 13.3703 13.3703 13.3703 15.6173 15.6173 15.6174 15.6174 k = 0.0431 0.2739 0.2409 ( 2764 PWs) bands (ev): -1.7496 -1.7496 -1.7495 -1.7495 0.3329 0.3329 0.3329 0.3329 6.5565 6.5565 6.5565 6.5565 7.6578 7.6578 7.6579 7.6579 9.3515 9.3515 9.3515 9.3515 10.1148 10.1148 10.1149 10.1149 10.1945 10.1945 10.1945 10.1945 10.7497 10.7497 10.7498 10.7498 11.4280 11.4280 11.4281 11.4281 13.3708 13.3708 13.3708 13.3708 15.7518 15.7518 15.7519 15.7519 k = 0.0345 0.2739 0.2409 ( 2764 PWs) bands (ev): -1.7603 -1.7603 -1.7602 -1.7602 0.3204 0.3204 0.3205 0.3205 6.5473 6.5473 6.5473 6.5473 7.6547 7.6547 7.6548 7.6548 9.3451 9.3451 9.3452 9.3452 10.1596 10.1596 10.1597 10.1597 10.2031 10.2031 10.2031 10.2031 10.7040 10.7040 10.7041 10.7041 11.4326 11.4326 11.4326 11.4326 13.3712 13.3712 13.3713 13.3713 15.8731 15.8731 15.8732 15.8732 k = 0.0259 0.2739 0.2409 ( 2756 PWs) bands (ev): -1.7686 -1.7686 -1.7685 -1.7685 0.3107 0.3107 0.3108 0.3108 6.5401 6.5401 6.5401 6.5401 7.6523 7.6523 7.6523 7.6523 9.3402 9.3402 9.3403 9.3403 10.1784 10.1784 10.1784 10.1784 10.2345 10.2345 10.2346 10.2346 10.6595 10.6595 10.6596 10.6596 11.4362 11.4362 11.4363 11.4363 13.3716 13.3716 13.3716 13.3716 15.9759 15.9759 15.9760 15.9760 k = 0.0172 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.7745 -1.7745 -1.7744 -1.7744 0.3038 0.3038 0.3039 0.3039 6.5350 6.5350 6.5350 6.5350 7.6505 7.6505 7.6505 7.6505 9.3366 9.3366 9.3367 9.3367 10.1822 10.1822 10.1823 10.1823 10.2750 10.2750 10.2751 10.2751 10.6192 10.6192 10.6193 10.6193 11.4389 11.4389 11.4389 11.4389 13.3718 13.3718 13.3718 13.3718 16.0549 16.0549 16.0550 16.0550 k = 0.0086 0.2739 0.2409 ( 2752 PWs) bands (ev): -1.7780 -1.7780 -1.7779 -1.7779 0.2997 0.2997 0.2997 0.2997 6.5319 6.5319 6.5319 6.5319 7.6494 7.6494 7.6494 7.6494 9.3345 9.3345 9.3345 9.3345 10.1832 10.1832 10.1833 10.1833 10.3068 10.3068 10.3068 10.3068 10.5887 10.5887 10.5888 10.5888 11.4405 11.4405 11.4405 11.4405 13.3719 13.3719 13.3719 13.3719 16.1048 16.1048 16.1049 16.1049 k = 0.0000 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.7792 -1.7792 -1.7791 -1.7791 0.2983 0.2983 0.2983 0.2983 6.5308 6.5308 6.5309 6.5309 7.6490 7.6490 7.6491 7.6491 9.3337 9.3337 9.3338 9.3338 10.1834 10.1834 10.1835 10.1835 10.3192 10.3192 10.3192 10.3192 10.5768 10.5768 10.5768 10.5768 11.4410 11.4410 11.4410 11.4410 13.3718 13.3718 13.3719 13.3719 16.1219 16.1219 16.1220 16.1220 k = 0.0000 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.7792 -1.7792 -1.7791 -1.7791 0.2983 0.2983 0.2983 0.2983 6.5308 6.5308 6.5309 6.5309 7.6490 7.6490 7.6491 7.6491 9.3337 9.3337 9.3338 9.3338 10.1834 10.1834 10.1835 10.1835 10.3192 10.3192 10.3192 10.3192 10.5768 10.5768 10.5768 10.5768 11.4410 11.4410 11.4410 11.4410 13.3718 13.3718 13.3719 13.3719 16.1219 16.1219 16.1220 16.1220 k = 0.0000 0.2654 0.2409 ( 2752 PWs) bands (ev): -1.7812 -1.7812 -1.7811 -1.7811 0.3022 0.3022 0.3023 0.3023 6.5264 6.5264 6.5264 6.5264 7.6521 7.6521 7.6522 7.6522 9.3307 9.3307 9.3308 9.3308 10.1821 10.1821 10.1822 10.1822 10.3194 10.3194 10.3195 10.3195 10.5779 10.5779 10.5780 10.5780 11.4408 11.4408 11.4409 11.4409 13.3740 13.3740 13.3740 13.3740 16.1135 16.1135 16.1136 16.1136 k = 0.0000 0.2568 0.2409 ( 2748 PWs) bands (ev): -1.7873 -1.7873 -1.7872 -1.7872 0.3139 0.3139 0.3139 0.3139 6.5132 6.5132 6.5133 6.5133 7.6613 7.6613 7.6614 7.6614 9.3216 9.3216 9.3217 9.3217 10.1783 10.1783 10.1783 10.1783 10.3202 10.3202 10.3203 10.3203 10.5813 10.5813 10.5813 10.5813 11.4402 11.4402 11.4403 11.4403 13.3802 13.3802 13.3802 13.3802 16.0893 16.0893 16.0894 16.0894 k = 0.0000 0.2482 0.2409 ( 2760 PWs) bands (ev): -1.7972 -1.7972 -1.7971 -1.7971 0.3332 0.3332 0.3332 0.3332 6.4917 6.4917 6.4918 6.4918 7.6760 7.6760 7.6761 7.6761 9.3065 9.3065 9.3065 9.3065 10.1721 10.1721 10.1721 10.1721 10.3214 10.3214 10.3215 10.3215 10.5866 10.5866 10.5867 10.5867 11.4393 11.4393 11.4393 11.4393 13.3903 13.3903 13.3904 13.3904 16.0526 16.0526 16.0527 16.0527 k = 0.0000 0.2397 0.2409 ( 2756 PWs) bands (ev): -1.8106 -1.8106 -1.8105 -1.8105 0.3597 0.3597 0.3598 0.3598 6.4627 6.4627 6.4627 6.4627 7.6954 7.6954 7.6955 7.6955 9.2857 9.2857 9.2858 9.2858 10.1643 10.1643 10.1643 10.1643 10.3234 10.3234 10.3235 10.3235 10.5938 10.5938 10.5938 10.5938 11.4380 11.4380 11.4381 11.4381 13.4041 13.4041 13.4041 13.4041 16.0070 16.0070 16.0071 16.0071 k = 0.0000 0.2311 0.2409 ( 2748 PWs) bands (ev): -1.8274 -1.8274 -1.8273 -1.8273 0.3932 0.3932 0.3933 0.3933 6.4268 6.4268 6.4268 6.4268 7.7185 7.7185 7.7186 7.7186 9.2596 9.2596 9.2597 9.2597 10.1555 10.1555 10.1555 10.1555 10.3261 10.3261 10.3262 10.3262 10.6024 10.6024 10.6024 10.6024 11.4364 11.4364 11.4365 11.4365 13.4210 13.4210 13.4210 13.4210 15.9554 15.9554 15.9555 15.9555 k = 0.0000 0.2226 0.2409 ( 2750 PWs) bands (ev): -1.8469 -1.8469 -1.8468 -1.8468 0.4332 0.4332 0.4332 0.4332 6.3848 6.3848 6.3849 6.3849 7.7443 7.7443 7.7443 7.7443 9.2288 9.2288 9.2288 9.2288 10.1460 10.1460 10.1460 10.1460 10.3295 10.3295 10.3296 10.3296 10.6122 10.6122 10.6123 10.6123 11.4344 11.4344 11.4345 11.4345 13.4407 13.4407 13.4407 13.4407 15.9000 15.9000 15.9001 15.9001 k = 0.0000 0.2140 0.2409 ( 2750 PWs) bands (ev): -1.8689 -1.8689 -1.8688 -1.8688 0.4791 0.4791 0.4791 0.4791 6.3376 6.3376 6.3376 6.3376 7.7716 7.7716 7.7716 7.7716 9.1938 9.1938 9.1939 9.1939 10.1367 10.1367 10.1367 10.1367 10.3336 10.3336 10.3337 10.3337 10.6231 10.6231 10.6232 10.6232 11.4321 11.4321 11.4322 11.4322 13.4625 13.4625 13.4625 13.4625 15.8425 15.8425 15.8426 15.8426 k = 0.0000 0.2054 0.2409 ( 2754 PWs) bands (ev): -1.8929 -1.8929 -1.8928 -1.8928 0.5305 0.5305 0.5305 0.5305 6.2858 6.2858 6.2858 6.2858 7.7994 7.7994 7.7994 7.7994 9.1557 9.1557 9.1558 9.1558 10.1278 10.1278 10.1278 10.1278 10.3384 10.3384 10.3384 10.3384 10.6350 10.6350 10.6350 10.6350 11.4295 11.4295 11.4295 11.4295 13.4861 13.4861 13.4861 13.4861 15.7841 15.7841 15.7841 15.7841 k = 0.0000 0.1969 0.2409 ( 2756 PWs) bands (ev): -1.9184 -1.9184 -1.9183 -1.9183 0.5868 0.5868 0.5869 0.5869 6.2300 6.2300 6.2300 6.2300 7.8267 7.8267 7.8267 7.8267 9.1156 9.1156 9.1156 9.1156 10.1197 10.1197 10.1197 10.1197 10.3437 10.3437 10.3438 10.3438 10.6476 10.6476 10.6477 10.6477 11.4265 11.4265 11.4265 11.4265 13.5110 13.5110 13.5110 13.5110 15.7254 15.7254 15.7255 15.7255 k = 0.0000 0.1883 0.2409 ( 2752 PWs) bands (ev): -1.9451 -1.9451 -1.9450 -1.9450 0.6476 0.6476 0.6477 0.6477 6.1706 6.1706 6.1707 6.1707 7.8524 7.8524 7.8524 7.8524 9.0744 9.0744 9.0745 9.0745 10.1125 10.1125 10.1125 10.1125 10.3498 10.3498 10.3498 10.3498 10.6612 10.6612 10.6612 10.6612 11.4232 11.4232 11.4233 11.4233 13.5368 13.5368 13.5368 13.5368 15.6672 15.6672 15.6673 15.6673 k = 0.0000 0.1798 0.2409 ( 2752 PWs) bands (ev): -1.9726 -1.9726 -1.9725 -1.9725 0.7123 0.7123 0.7124 0.7124 6.1082 6.1082 6.1082 6.1082 7.8756 7.8756 7.8756 7.8756 9.0337 9.0337 9.0337 9.0337 10.1063 10.1063 10.1063 10.1063 10.3563 10.3563 10.3564 10.3564 10.6756 10.6756 10.6756 10.6756 11.4196 11.4196 11.4197 11.4197 13.5632 13.5632 13.5632 13.5632 15.6099 15.6099 15.6100 15.6100 k = 0.0000 0.1712 0.2409 ( 2752 PWs) bands (ev): -2.0006 -2.0006 -2.0005 -2.0005 0.7804 0.7804 0.7805 0.7805 6.0431 6.0431 6.0431 6.0431 7.8953 7.8953 7.8953 7.8953 8.9945 8.9945 8.9946 8.9946 10.1010 10.1010 10.1011 10.1011 10.3634 10.3634 10.3635 10.3635 10.6907 10.6907 10.6908 10.6908 11.4158 11.4158 11.4159 11.4159 13.5898 13.5898 13.5898 13.5898 15.5538 15.5538 15.5539 15.5539 k = 0.0000 0.1626 0.2409 ( 2750 PWs) bands (ev): -2.0286 -2.0286 -2.0285 -2.0285 0.8515 0.8515 0.8515 0.8515 5.9756 5.9756 5.9756 5.9756 7.9106 7.9106 7.9107 7.9107 8.9583 8.9583 8.9583 8.9583 10.0968 10.0968 10.0968 10.0968 10.3709 10.3709 10.3709 10.3709 10.7068 10.7068 10.7068 10.7068 11.4118 11.4118 11.4118 11.4118 13.6166 13.6166 13.6166 13.6166 15.4992 15.4992 15.4993 15.4993 k = 0.0000 0.1541 0.2409 ( 2758 PWs) bands (ev): -2.0565 -2.0565 -2.0564 -2.0564 0.9249 0.9249 0.9250 0.9250 5.9061 5.9061 5.9061 5.9061 7.9210 7.9210 7.9210 7.9210 8.9260 8.9260 8.9261 8.9261 10.0934 10.0934 10.0934 10.0934 10.3786 10.3786 10.3787 10.3787 10.7236 10.7236 10.7236 10.7236 11.4075 11.4075 11.4075 11.4075 13.6433 13.6433 13.6434 13.6434 15.4464 15.4464 15.4465 15.4465 k = 0.0000 0.1455 0.2409 ( 2754 PWs) bands (ev): -2.0839 -2.0839 -2.0838 -2.0838 1.0003 1.0003 1.0004 1.0004 5.8349 5.8349 5.8349 5.8349 7.9258 7.9258 7.9258 7.9258 8.8987 8.8987 8.8988 8.8988 10.0907 10.0907 10.0908 10.0908 10.3868 10.3868 10.3868 10.3868 10.7412 10.7412 10.7412 10.7412 11.4030 11.4030 11.4031 11.4031 13.6700 13.6700 13.6700 13.6700 15.3956 15.3956 15.3957 15.3957 k = 0.0000 0.1370 0.2409 ( 2758 PWs) bands (ev): -2.1107 -2.1107 -2.1106 -2.1106 1.0772 1.0772 1.0772 1.0772 5.7623 5.7623 5.7623 5.7623 7.9249 7.9249 7.9249 7.9249 8.8770 8.8770 8.8770 8.8770 10.0888 10.0888 10.0888 10.0888 10.3950 10.3950 10.3951 10.3951 10.7596 10.7596 10.7596 10.7596 11.3985 11.3985 11.3985 11.3985 13.6966 13.6966 13.6966 13.6966 15.3469 15.3469 15.3469 15.3469 k = 0.0000 0.1284 0.2409 ( 2750 PWs) bands (ev): -2.1367 -2.1367 -2.1366 -2.1366 1.1549 1.1549 1.1550 1.1550 5.6887 5.6887 5.6887 5.6887 7.9185 7.9185 7.9185 7.9185 8.8609 8.8609 8.8609 8.8609 10.0875 10.0875 10.0875 10.0875 10.4035 10.4035 10.4036 10.4036 10.7787 10.7787 10.7787 10.7787 11.3938 11.3938 11.3938 11.3938 13.7231 13.7231 13.7231 13.7231 15.3004 15.3004 15.3005 15.3005 k = 0.0000 0.1198 0.2409 ( 2754 PWs) bands (ev): -2.1616 -2.1616 -2.1615 -2.1615 1.2331 1.2331 1.2332 1.2332 5.6146 5.6146 5.6146 5.6146 7.9070 7.9070 7.9070 7.9070 8.8503 8.8503 8.8503 8.8503 10.0865 10.0865 10.0866 10.0866 10.4120 10.4120 10.4120 10.4120 10.7982 10.7982 10.7983 10.7983 11.3890 11.3890 11.3891 11.3891 13.7495 13.7495 13.7495 13.7495 15.2564 15.2564 15.2565 15.2565 k = 0.0000 0.1113 0.2409 ( 2756 PWs) bands (ev): -2.1853 -2.1853 -2.1852 -2.1852 1.3111 1.3111 1.3112 1.3112 5.5403 5.5403 5.5403 5.5403 7.8912 7.8912 7.8913 7.8913 8.8447 8.8447 8.8447 8.8447 10.0860 10.0860 10.0860 10.0860 10.4204 10.4204 10.4205 10.4205 10.8182 10.8182 10.8183 10.8183 11.3843 11.3843 11.3843 11.3843 13.7758 13.7758 13.7758 13.7758 15.2150 15.2150 15.2150 15.2150 k = 0.0000 0.1027 0.2409 ( 2760 PWs) bands (ev): -2.2078 -2.2078 -2.2077 -2.2077 1.3884 1.3884 1.3885 1.3885 5.4664 5.4664 5.4664 5.4664 7.8723 7.8723 7.8723 7.8723 8.8432 8.8432 8.8432 8.8432 10.0857 10.0857 10.0858 10.0858 10.4287 10.4287 10.4288 10.4288 10.8385 10.8385 10.8385 10.8385 11.3795 11.3795 11.3796 11.3796 13.8022 13.8022 13.8022 13.8022 15.1761 15.1761 15.1762 15.1762 k = 0.0000 0.0942 0.2409 ( 2768 PWs) bands (ev): -2.2288 -2.2288 -2.2287 -2.2287 1.4642 1.4642 1.4643 1.4643 5.3936 5.3936 5.3936 5.3936 7.8512 7.8512 7.8512 7.8512 8.8451 8.8451 8.8451 8.8451 10.0856 10.0856 10.0857 10.0857 10.4367 10.4367 10.4368 10.4368 10.8587 10.8587 10.8588 10.8588 11.3748 11.3748 11.3749 11.3749 13.8286 13.8286 13.8286 13.8286 15.1400 15.1400 15.1401 15.1401 k = 0.0000 0.0856 0.2409 ( 2778 PWs) bands (ev): -2.2482 -2.2482 -2.2482 -2.2482 1.5380 1.5380 1.5380 1.5380 5.3225 5.3225 5.3225 5.3225 7.8289 7.8289 7.8290 7.8290 8.8494 8.8494 8.8494 8.8494 10.0857 10.0857 10.0858 10.0858 10.4445 10.4445 10.4445 10.4445 10.8786 10.8786 10.8787 10.8787 11.3703 11.3703 11.3703 11.3703 13.8550 13.8550 13.8550 13.8550 15.1068 15.1068 15.1068 15.1068 k = 0.0000 0.0770 0.2409 ( 2770 PWs) bands (ev): -2.2661 -2.2661 -2.2660 -2.2660 1.6089 1.6089 1.6089 1.6089 5.2539 5.2539 5.2539 5.2539 7.8065 7.8065 7.8066 7.8066 8.8554 8.8554 8.8555 8.8555 10.0860 10.0860 10.0861 10.0861 10.4519 10.4519 10.4519 10.4519 10.8981 10.8981 10.8982 10.8982 11.3660 11.3660 11.3661 11.3661 13.8814 13.8814 13.8814 13.8814 15.0764 15.0764 15.0765 15.0765 k = 0.0000 0.0685 0.2409 ( 2766 PWs) bands (ev): -2.2823 -2.2823 -2.2822 -2.2822 1.6760 1.6760 1.6761 1.6761 5.1886 5.1886 5.1887 5.1887 7.7847 7.7847 7.7847 7.7847 8.8624 8.8624 8.8624 8.8624 10.0863 10.0863 10.0864 10.0864 10.4588 10.4588 10.4589 10.4589 10.9167 10.9167 10.9168 10.9168 11.3620 11.3620 11.3621 11.3621 13.9076 13.9076 13.9076 13.9076 15.0490 15.0490 15.0491 15.0491 k = 0.0000 0.0599 0.2409 ( 2766 PWs) bands (ev): -2.2967 -2.2967 -2.2966 -2.2966 1.7386 1.7386 1.7386 1.7386 5.1276 5.1276 5.1276 5.1276 7.7641 7.7641 7.7641 7.7641 8.8697 8.8697 8.8697 8.8697 10.0866 10.0866 10.0867 10.0867 10.4651 10.4651 10.4652 10.4652 10.9342 10.9342 10.9342 10.9342 11.3583 11.3583 11.3584 11.3584 13.9332 13.9332 13.9333 13.9333 15.0247 15.0247 15.0247 15.0247 k = 0.0000 0.0514 0.2409 ( 2764 PWs) bands (ev): -2.3093 -2.3093 -2.3092 -2.3092 1.7956 1.7956 1.7956 1.7956 5.0718 5.0718 5.0718 5.0718 7.7453 7.7453 7.7454 7.7454 8.8768 8.8768 8.8768 8.8768 10.0870 10.0870 10.0870 10.0870 10.4708 10.4708 10.4709 10.4709 10.9501 10.9501 10.9501 10.9501 11.3550 11.3550 11.3550 11.3550 13.9580 13.9580 13.9580 13.9580 15.0034 15.0034 15.0035 15.0035 k = 0.0000 0.0428 0.2409 ( 2758 PWs) bands (ev): -2.3200 -2.3200 -2.3199 -2.3199 1.8460 1.8460 1.8461 1.8461 5.0223 5.0223 5.0223 5.0223 7.7288 7.7288 7.7289 7.7289 8.8834 8.8834 8.8835 8.8835 10.0873 10.0873 10.0874 10.0874 10.4758 10.4758 10.4758 10.4758 10.9642 10.9642 10.9643 10.9643 11.3521 11.3521 11.3521 11.3521 13.9813 13.9813 13.9813 13.9813 14.9852 14.9852 14.9853 14.9853 k = 0.0000 0.0342 0.2409 ( 2764 PWs) bands (ev): -2.3288 -2.3288 -2.3287 -2.3287 1.8890 1.8890 1.8891 1.8891 4.9799 4.9799 4.9800 4.9800 7.7149 7.7149 7.7150 7.7150 8.8892 8.8892 8.8892 8.8892 10.0876 10.0876 10.0877 10.0877 10.4798 10.4798 10.4799 10.4799 10.9762 10.9762 10.9763 10.9763 11.3496 11.3496 11.3496 11.3496 14.0023 14.0023 14.0023 14.0023 14.9702 14.9702 14.9703 14.9703 k = 0.0000 0.0257 0.2409 ( 2764 PWs) bands (ev): -2.3357 -2.3357 -2.3356 -2.3356 1.9236 1.9236 1.9236 1.9236 4.9459 4.9459 4.9459 4.9459 7.7039 7.7039 7.7039 7.7039 8.8939 8.8939 8.8939 8.8939 10.0879 10.0879 10.0880 10.0880 10.4831 10.4831 10.4832 10.4832 10.9859 10.9859 10.9859 10.9859 11.3476 11.3476 11.3477 11.3477 14.0202 14.0202 14.0202 14.0202 14.9584 14.9584 14.9585 14.9585 k = 0.0000 0.0171 0.2409 ( 2760 PWs) bands (ev): -2.3406 -2.3406 -2.3406 -2.3406 1.9489 1.9489 1.9490 1.9490 4.9208 4.9208 4.9209 4.9209 7.6959 7.6959 7.6959 7.6959 8.8974 8.8974 8.8974 8.8974 10.0881 10.0881 10.0881 10.0881 10.4855 10.4855 10.4856 10.4856 10.9929 10.9929 10.9930 10.9930 11.3462 11.3462 11.3463 11.3463 14.0339 14.0339 14.0339 14.0339 14.9499 14.9499 14.9500 14.9500 k = 0.0000 0.0086 0.2409 ( 2756 PWs) bands (ev): -2.3436 -2.3436 -2.3435 -2.3435 1.9644 1.9644 1.9645 1.9645 4.9055 4.9055 4.9056 4.9056 7.6910 7.6910 7.6910 7.6910 8.8996 8.8996 8.8996 8.8996 10.0882 10.0882 10.0883 10.0883 10.4870 10.4870 10.4871 10.4871 10.9972 10.9972 10.9973 10.9973 11.3454 11.3454 11.3454 11.3454 14.0426 14.0426 14.0426 14.0426 14.9448 14.9448 14.9448 14.9448 k = 0.0000 0.0000 0.2409 ( 2748 PWs) bands (ev): -2.3446 -2.3446 -2.3445 -2.3445 1.9696 1.9696 1.9697 1.9697 4.9004 4.9004 4.9004 4.9004 7.6894 7.6894 7.6894 7.6894 8.9003 8.9003 8.9003 8.9003 10.0883 10.0883 10.0884 10.0884 10.4875 10.4875 10.4876 10.4876 10.9987 10.9987 10.9988 10.9988 11.3451 11.3451 11.3452 11.3452 14.0456 14.0456 14.0456 14.0456 14.9430 14.9430 14.9431 14.9431 k = 0.0000 0.2739-0.0000 ( 2748 PWs) bands (ev): -2.1041 -2.1041 -2.1041 -2.1041 1.3415 1.3415 1.3416 1.3416 4.5698 4.5698 4.5698 4.5698 8.8394 8.8394 8.8394 8.8394 8.9252 8.9252 8.9253 8.9253 10.2170 10.2170 10.2170 10.2170 10.3694 10.3694 10.3694 10.3694 10.7322 10.7322 10.7322 10.7322 11.3972 11.3972 11.3973 11.3973 15.0191 15.0191 15.0191 15.0191 15.6129 15.6129 15.6130 15.6130 k = 0.0000 0.2739 0.0086 ( 2752 PWs) bands (ev): -2.1033 -2.1033 -2.1032 -2.1032 1.3375 1.3375 1.3376 1.3376 4.5753 4.5753 4.5754 4.5754 8.8258 8.8258 8.8258 8.8258 8.9386 8.9386 8.9386 8.9386 10.2170 10.2170 10.2170 10.2170 10.3691 10.3691 10.3692 10.3692 10.7304 10.7304 10.7305 10.7305 11.3973 11.3973 11.3974 11.3974 15.0079 15.0079 15.0080 15.0080 15.6139 15.6139 15.6140 15.6140 k = 0.0000 0.2739 0.0172 ( 2744 PWs) bands (ev): -2.1009 -2.1009 -2.1008 -2.1008 1.3257 1.3257 1.3257 1.3257 4.5920 4.5920 4.5920 4.5920 8.7968 8.7968 8.7968 8.7968 8.9665 8.9665 8.9665 8.9665 10.2170 10.2170 10.2170 10.2170 10.3686 10.3686 10.3686 10.3686 10.7253 10.7253 10.7253 10.7253 11.3978 11.3978 11.3979 11.3979 14.9764 14.9764 14.9765 14.9765 15.6170 15.6170 15.6171 15.6171 k = 0.0000 0.2739 0.0258 ( 2744 PWs) bands (ev): -2.0968 -2.0968 -2.0967 -2.0967 1.3063 1.3063 1.3063 1.3063 4.6194 4.6194 4.6194 4.6194 8.7629 8.7629 8.7629 8.7629 8.9986 8.9986 8.9986 8.9986 10.2169 10.2169 10.2169 10.2169 10.3676 10.3676 10.3677 10.3677 10.7168 10.7168 10.7169 10.7169 11.3985 11.3985 11.3986 11.3986 14.9291 14.9291 14.9291 14.9291 15.6222 15.6222 15.6223 15.6223 k = 0.0000 0.2739 0.0344 ( 2736 PWs) bands (ev): -2.0912 -2.0912 -2.0911 -2.0911 1.2798 1.2798 1.2798 1.2798 4.6571 4.6571 4.6571 4.6571 8.7270 8.7270 8.7270 8.7270 9.0318 9.0318 9.0319 9.0319 10.2169 10.2169 10.2169 10.2169 10.3663 10.3663 10.3664 10.3664 10.7054 10.7054 10.7054 10.7054 11.3996 11.3996 11.3997 11.3997 14.8706 14.8706 14.8706 14.8706 15.6294 15.6294 15.6295 15.6295 k = 0.0000 0.2739 0.0430 ( 2736 PWs) bands (ev): -2.0840 -2.0840 -2.0839 -2.0839 1.2468 1.2468 1.2469 1.2469 4.7043 4.7043 4.7044 4.7044 8.6899 8.6899 8.6899 8.6899 9.0651 9.0651 9.0651 9.0651 10.2167 10.2167 10.2167 10.2167 10.3646 10.3646 10.3646 10.3646 10.6913 10.6913 10.6913 10.6913 11.4009 11.4009 11.4009 11.4009 14.8044 14.8044 14.8044 14.8044 15.6386 15.6386 15.6386 15.6386 k = 0.0000 0.2739 0.0516 ( 2736 PWs) bands (ev): -2.0752 -2.0752 -2.0752 -2.0752 1.2081 1.2081 1.2082 1.2082 4.7605 4.7605 4.7605 4.7605 8.6518 8.6518 8.6518 8.6518 9.0979 9.0979 9.0980 9.0980 10.2165 10.2165 10.2165 10.2165 10.3625 10.3625 10.3625 10.3625 10.6749 10.6749 10.6750 10.6750 11.4024 11.4024 11.4024 11.4024 14.7331 14.7331 14.7331 14.7331 15.6498 15.6498 15.6498 15.6498 k = 0.0000 0.2739 0.0602 ( 2740 PWs) bands (ev): -2.0651 -2.0651 -2.0650 -2.0650 1.1645 1.1645 1.1645 1.1645 4.8248 4.8248 4.8248 4.8248 8.6129 8.6129 8.6129 8.6129 9.1300 9.1300 9.1300 9.1300 10.2162 10.2162 10.2162 10.2162 10.3599 10.3599 10.3600 10.3600 10.6569 10.6569 10.6569 10.6569 11.4040 11.4040 11.4041 11.4041 14.6580 14.6580 14.6581 14.6581 15.6629 15.6629 15.6629 15.6629 k = 0.0000 0.2739 0.0688 ( 2748 PWs) bands (ev): -2.0535 -2.0535 -2.0535 -2.0535 1.1167 1.1167 1.1167 1.1167 4.8963 4.8963 4.8963 4.8963 8.5730 8.5730 8.5731 8.5731 9.1610 9.1610 9.1610 9.1610 10.2157 10.2157 10.2157 10.2157 10.3571 10.3571 10.3571 10.3571 10.6377 10.6377 10.6377 10.6377 11.4058 11.4058 11.4059 11.4059 14.5804 14.5804 14.5804 14.5804 15.6779 15.6779 15.6780 15.6780 k = 0.0000 0.2739 0.0774 ( 2746 PWs) bands (ev): -2.0407 -2.0407 -2.0406 -2.0406 1.0655 1.0655 1.0656 1.0656 4.9742 4.9742 4.9742 4.9742 8.5322 8.5322 8.5322 8.5322 9.1905 9.1905 9.1906 9.1906 10.2150 10.2150 10.2151 10.2151 10.3539 10.3539 10.3539 10.3539 10.6182 10.6182 10.6182 10.6182 11.4079 11.4079 11.4080 11.4080 14.5009 14.5009 14.5009 14.5009 15.6948 15.6948 15.6948 15.6948 k = 0.0000 0.2739 0.0860 ( 2746 PWs) bands (ev): -2.0267 -2.0267 -2.0266 -2.0266 1.0118 1.0118 1.0119 1.0119 5.0577 5.0577 5.0577 5.0577 8.4902 8.4902 8.4902 8.4902 9.2184 9.2184 9.2184 9.2184 10.2141 10.2141 10.2142 10.2142 10.3503 10.3503 10.3504 10.3504 10.5989 10.5989 10.5990 10.5990 11.4101 11.4101 11.4102 11.4102 14.4201 14.4201 14.4201 14.4201 15.7134 15.7134 15.7135 15.7135 k = 0.0000 0.2739 0.0946 ( 2744 PWs) bands (ev): -2.0116 -2.0116 -2.0115 -2.0115 0.9563 0.9563 0.9563 0.9563 5.1460 5.1460 5.1460 5.1460 8.4470 8.4470 8.4470 8.4470 9.2442 9.2442 9.2442 9.2442 10.2129 10.2129 10.2130 10.2130 10.3466 10.3466 10.3467 10.3467 10.5807 10.5807 10.5807 10.5807 11.4124 11.4124 11.4125 11.4125 14.3383 14.3383 14.3384 14.3384 15.7338 15.7338 15.7339 15.7339 k = 0.0000 0.2739 0.1032 ( 2746 PWs) bands (ev): -1.9955 -1.9955 -1.9954 -1.9954 0.8996 0.8996 0.8997 0.8997 5.2383 5.2383 5.2384 5.2384 8.4023 8.4023 8.4023 8.4023 9.2676 9.2676 9.2677 9.2677 10.2114 10.2114 10.2114 10.2114 10.3427 10.3427 10.3427 10.3427 10.5641 10.5641 10.5641 10.5641 11.4149 11.4149 11.4149 11.4149 14.2562 14.2562 14.2562 14.2562 15.7558 15.7558 15.7558 15.7558 k = 0.0000 0.2739 0.1119 ( 2746 PWs) bands (ev): -1.9786 -1.9786 -1.9785 -1.9785 0.8425 0.8425 0.8426 0.8426 5.3340 5.3340 5.3340 5.3340 8.3560 8.3560 8.3560 8.3560 9.2884 9.2884 9.2884 9.2884 10.2094 10.2094 10.2095 10.2095 10.3388 10.3388 10.3388 10.3388 10.5498 10.5498 10.5499 10.5499 11.4173 11.4173 11.4174 11.4174 14.1740 14.1740 14.1741 14.1741 15.7793 15.7793 15.7793 15.7793 k = 0.0000 0.2739 0.1205 ( 2738 PWs) bands (ev): -1.9611 -1.9611 -1.9610 -1.9610 0.7856 0.7856 0.7856 0.7856 5.4322 5.4322 5.4322 5.4322 8.3081 8.3081 8.3081 8.3081 9.3062 9.3062 9.3063 9.3063 10.2071 10.2071 10.2072 10.2072 10.3350 10.3350 10.3351 10.3351 10.5383 10.5383 10.5384 10.5384 11.4198 11.4198 11.4199 11.4199 14.0925 14.0925 14.0925 14.0925 15.8041 15.8041 15.8042 15.8042 k = 0.0000 0.2739 0.1291 ( 2738 PWs) bands (ev): -1.9430 -1.9430 -1.9430 -1.9430 0.7295 0.7295 0.7295 0.7295 5.5323 5.5323 5.5323 5.5323 8.2583 8.2583 8.2583 8.2583 9.3209 9.3209 9.3210 9.3210 10.2044 10.2044 10.2045 10.2045 10.3316 10.3316 10.3316 10.3316 10.5298 10.5298 10.5299 10.5299 11.4222 11.4222 11.4223 11.4223 14.0119 14.0119 14.0119 14.0119 15.8303 15.8303 15.8303 15.8303 k = 0.0000 0.2739 0.1377 ( 2744 PWs) bands (ev): -1.9248 -1.9248 -1.9247 -1.9247 0.6747 0.6747 0.6747 0.6747 5.6335 5.6335 5.6336 5.6336 8.2066 8.2066 8.2066 8.2066 9.3324 9.3324 9.3325 9.3325 10.2015 10.2015 10.2015 10.2015 10.3286 10.3286 10.3286 10.3286 10.5244 10.5244 10.5244 10.5244 11.4246 11.4246 11.4246 11.4246 13.9330 13.9330 13.9330 13.9330 15.8575 15.8575 15.8575 15.8575 k = 0.0000 0.2739 0.1463 ( 2744 PWs) bands (ev): -1.9065 -1.9065 -1.9064 -1.9064 0.6218 0.6218 0.6219 0.6219 5.7352 5.7352 5.7352 5.7352 8.1531 8.1531 8.1531 8.1531 9.3408 9.3408 9.3409 9.3409 10.1985 10.1985 10.1985 10.1985 10.3261 10.3261 10.3262 10.3262 10.5220 10.5220 10.5221 10.5221 11.4269 11.4269 11.4270 11.4270 13.8563 13.8563 13.8564 13.8564 15.8855 15.8855 15.8856 15.8856 k = 0.0000 0.2739 0.1549 ( 2740 PWs) bands (ev): -1.8884 -1.8884 -1.8883 -1.8883 0.5714 0.5714 0.5714 0.5714 5.8366 5.8366 5.8366 5.8366 8.0978 8.0978 8.0979 8.0979 9.3463 9.3463 9.3464 9.3464 10.1956 10.1956 10.1956 10.1956 10.3242 10.3242 10.3243 10.3243 10.5226 10.5226 10.5226 10.5226 11.4292 11.4292 11.4292 11.4292 13.7827 13.7827 13.7827 13.7827 15.9142 15.9142 15.9143 15.9143 k = 0.0000 0.2739 0.1635 ( 2740 PWs) bands (ev): -1.8708 -1.8708 -1.8707 -1.8707 0.5238 0.5238 0.5239 0.5239 5.9367 5.9367 5.9367 5.9367 8.0411 8.0411 8.0411 8.0411 9.3491 9.3491 9.3492 9.3492 10.1930 10.1930 10.1930 10.1930 10.3228 10.3228 10.3229 10.3229 10.5256 10.5256 10.5257 10.5257 11.4313 11.4313 11.4313 11.4313 13.7128 13.7128 13.7128 13.7128 15.9432 15.9432 15.9432 15.9432 k = 0.0000 0.2739 0.1721 ( 2746 PWs) bands (ev): -1.8539 -1.8539 -1.8538 -1.8538 0.4797 0.4797 0.4797 0.4797 6.0346 6.0346 6.0346 6.0346 7.9833 7.9833 7.9833 7.9833 9.3498 9.3498 9.3499 9.3499 10.1906 10.1906 10.1906 10.1906 10.3218 10.3218 10.3219 10.3219 10.5308 10.5308 10.5308 10.5308 11.4332 11.4332 11.4332 11.4332 13.6472 13.6472 13.6473 13.6473 15.9720 15.9720 15.9721 15.9721 k = 0.0000 0.2739 0.1807 ( 2740 PWs) bands (ev): -1.8381 -1.8381 -1.8380 -1.8380 0.4394 0.4394 0.4395 0.4395 6.1292 6.1292 6.1292 6.1292 7.9252 7.9252 7.9252 7.9252 9.3488 9.3488 9.3488 9.3488 10.1887 10.1887 10.1887 10.1887 10.3211 10.3211 10.3211 10.3211 10.5375 10.5375 10.5375 10.5375 11.4350 11.4350 11.4350 11.4350 13.5871 13.5871 13.5871 13.5871 16.0004 16.0004 16.0005 16.0005 k = 0.0000 0.2739 0.1893 ( 2744 PWs) bands (ev): -1.8236 -1.8236 -1.8235 -1.8235 0.4034 0.4034 0.4035 0.4035 6.2191 6.2191 6.2191 6.2191 7.8677 7.8677 7.8677 7.8677 9.3466 9.3466 9.3466 9.3466 10.1870 10.1870 10.1871 10.1871 10.3205 10.3205 10.3205 10.3205 10.5451 10.5451 10.5451 10.5451 11.4365 11.4365 11.4366 11.4366 13.5329 13.5329 13.5329 13.5329 16.0276 16.0276 16.0277 16.0277 k = 0.0000 0.2739 0.1979 ( 2744 PWs) bands (ev): -1.8107 -1.8107 -1.8106 -1.8106 0.3722 0.3722 0.3723 0.3723 6.3025 6.3025 6.3025 6.3025 7.8122 7.8122 7.8122 7.8122 9.3437 9.3437 9.3438 9.3438 10.1858 10.1858 10.1859 10.1859 10.3201 10.3201 10.3201 10.3201 10.5530 10.5530 10.5531 10.5531 11.4379 11.4379 11.4379 11.4379 13.4855 13.4855 13.4855 13.4855 16.0530 16.0530 16.0531 16.0531 k = 0.0000 0.2739 0.2065 ( 2744 PWs) bands (ev): -1.7998 -1.7998 -1.7997 -1.7997 0.3461 0.3461 0.3461 0.3461 6.3772 6.3772 6.3772 6.3772 7.7607 7.7607 7.7607 7.7607 9.3407 9.3407 9.3408 9.3408 10.1849 10.1849 10.1850 10.1850 10.3197 10.3197 10.3198 10.3198 10.5606 10.5606 10.5607 10.5607 11.4390 11.4390 11.4390 11.4390 13.4456 13.4456 13.4456 13.4456 16.0757 16.0757 16.0758 16.0758 k = 0.0000 0.2739 0.2151 ( 2746 PWs) bands (ev): -1.7909 -1.7909 -1.7908 -1.7908 0.3254 0.3254 0.3254 0.3254 6.4405 6.4405 6.4405 6.4405 7.7156 7.7156 7.7157 7.7157 9.3379 9.3379 9.3380 9.3380 10.1843 10.1843 10.1843 10.1843 10.3195 10.3195 10.3196 10.3196 10.5672 10.5672 10.5673 10.5673 11.4399 11.4399 11.4399 11.4399 13.4138 13.4138 13.4138 13.4138 16.0949 16.0949 16.0950 16.0950 k = 0.0000 0.2739 0.2237 ( 2748 PWs) bands (ev): -1.7845 -1.7845 -1.7844 -1.7844 0.3104 0.3104 0.3105 0.3105 6.4892 6.4892 6.4893 6.4893 7.6800 7.6800 7.6801 7.6801 9.3357 9.3357 9.3358 9.3358 10.1838 10.1838 10.1838 10.1838 10.3193 10.3193 10.3194 10.3194 10.5724 10.5724 10.5724 10.5724 11.4405 11.4405 11.4406 11.4406 13.3907 13.3907 13.3907 13.3907 16.1096 16.1096 16.1097 16.1097 k = 0.0000 0.2739 0.2323 ( 2752 PWs) bands (ev): -1.7805 -1.7805 -1.7804 -1.7804 0.3013 0.3013 0.3014 0.3014 6.5202 6.5202 6.5202 6.5202 7.6570 7.6570 7.6571 7.6571 9.3342 9.3342 9.3343 9.3343 10.1835 10.1835 10.1836 10.1836 10.3192 10.3192 10.3193 10.3193 10.5756 10.5756 10.5757 10.5757 11.4409 11.4409 11.4409 11.4409 13.3766 13.3766 13.3766 13.3766 16.1188 16.1188 16.1189 16.1189 k = 0.0000 0.2739 0.2409 ( 2760 PWs) bands (ev): -1.7792 -1.7792 -1.7791 -1.7791 0.2983 0.2983 0.2983 0.2983 6.5308 6.5308 6.5309 6.5309 7.6490 7.6490 7.6491 7.6491 9.3337 9.3337 9.3338 9.3338 10.1834 10.1834 10.1835 10.1835 10.3192 10.3192 10.3192 10.3192 10.5768 10.5768 10.5768 10.5768 11.4410 11.4410 11.4410 11.4410 13.3718 13.3718 13.3719 13.3719 16.1219 16.1219 16.1220 16.1220 k = 0.5000-0.0000 0.2409 ( 2716 PWs) bands (ev): 0.8226 0.8226 0.8228 0.8228 3.1855 3.1855 3.1875 3.1875 5.1111 5.1111 5.1141 5.1141 7.7490 7.7490 7.7501 7.7501 8.0685 8.0685 8.0760 8.0760 8.6835 8.6835 8.6836 8.6836 9.9493 9.9493 9.9573 9.9573 10.3746 10.3746 10.3775 10.3775 11.3231 11.3231 11.3367 11.3367 12.2309 12.2309 12.2413 12.2413 12.9374 12.9374 12.9521 12.9521 k = 0.5000-0.0000 0.2323 ( 2714 PWs) bands (ev): 0.8216 0.8216 0.8218 0.8218 3.1879 3.1879 3.1899 3.1899 5.1110 5.1110 5.1140 5.1140 7.7429 7.7429 7.7439 7.7439 8.0740 8.0740 8.0814 8.0814 8.6834 8.6834 8.6835 8.6835 9.9497 9.9497 9.9578 9.9578 10.3754 10.3754 10.3784 10.3784 11.3168 11.3168 11.3303 11.3303 12.2308 12.2308 12.2412 12.2412 12.9428 12.9428 12.9576 12.9576 k = 0.5000-0.0000 0.2237 ( 2714 PWs) bands (ev): 0.8187 0.8187 0.8190 0.8190 3.1948 3.1948 3.1968 3.1968 5.1108 5.1108 5.1138 5.1138 7.7256 7.7256 7.7264 7.7264 8.0892 8.0892 8.0966 8.0966 8.6832 8.6832 8.6834 8.6834 9.9510 9.9510 9.9592 9.9592 10.3776 10.3776 10.3812 10.3812 11.2985 11.2985 11.3117 11.3117 12.2304 12.2304 12.2409 12.2409 12.9585 12.9585 12.9737 12.9737 k = 0.5000-0.0000 0.2151 ( 2718 PWs) bands (ev): 0.8140 0.8140 0.8142 0.8142 3.2062 3.2062 3.2082 3.2082 5.1106 5.1106 5.1135 5.1135 7.6998 7.6998 7.7002 7.7002 8.1117 8.1117 8.1191 8.1191 8.6828 8.6828 8.6833 8.6833 9.9530 9.9530 9.9616 9.9616 10.3813 10.3813 10.3858 10.3858 11.2693 11.2693 11.2819 11.2819 12.2297 12.2297 12.2404 12.2404 12.9836 12.9836 12.9993 12.9993 k = 0.5000-0.0000 0.2065 ( 2722 PWs) bands (ev): 0.8075 0.8075 0.8077 0.8077 3.2221 3.2221 3.2241 3.2241 5.1102 5.1102 5.1131 5.1131 7.6678 7.6678 7.6680 7.6680 8.1387 8.1387 8.1463 8.1463 8.6824 8.6824 8.6832 8.6832 9.9554 9.9554 9.9645 9.9645 10.3862 10.3862 10.3920 10.3920 11.2310 11.2310 11.2429 11.2429 12.2288 12.2288 12.2396 12.2396 13.0167 13.0167 13.0330 13.0330 k = 0.5000-0.0000 0.1979 ( 2722 PWs) bands (ev): 0.7994 0.7994 0.7996 0.7996 3.2421 3.2421 3.2441 3.2441 5.1097 5.1097 5.1126 5.1126 7.6316 7.6316 7.6317 7.6317 8.1684 8.1684 8.1763 8.1763 8.6821 8.6821 8.6832 8.6832 9.9581 9.9581 9.9678 9.9678 10.3921 10.3921 10.3996 10.3996 11.1858 11.1858 11.1967 11.1967 12.2275 12.2275 12.2384 12.2384 13.0561 13.0561 13.0732 13.0732 k = 0.5000-0.0000 0.1893 ( 2718 PWs) bands (ev): 0.7899 0.7899 0.7901 0.7901 3.2660 3.2660 3.2680 3.2680 5.1091 5.1091 5.1119 5.1119 7.5924 7.5924 7.5928 7.5928 8.1994 8.1994 8.2077 8.2077 8.6819 8.6819 8.6835 8.6835 9.9605 9.9605 9.9709 9.9709 10.3987 10.3987 10.4083 10.4083 11.1361 11.1361 11.1457 11.1457 12.2261 12.2261 12.2370 12.2370 13.1002 13.1002 13.1182 13.1182 k = 0.5000-0.0000 0.1807 ( 2722 PWs) bands (ev): 0.7790 0.7790 0.7792 0.7792 3.2937 3.2937 3.2956 3.2956 5.1085 5.1085 5.1112 5.1112 7.5513 7.5513 7.5519 7.5519 8.2307 8.2307 8.2396 8.2396 8.6820 8.6820 8.6842 8.6842 9.9622 9.9622 9.9733 9.9733 10.4055 10.4055 10.4177 10.4177 11.0844 11.0844 11.0922 11.0922 12.2245 12.2245 12.2353 12.2353 13.1473 13.1473 13.1663 13.1663 k = 0.5000-0.0000 0.1721 ( 2718 PWs) bands (ev): 0.7671 0.7671 0.7673 0.7673 3.3246 3.3246 3.3266 3.3266 5.1077 5.1077 5.1104 5.1104 7.5088 7.5088 7.5096 7.5096 8.2618 8.2618 8.2713 8.2713 8.6826 8.6826 8.6855 8.6855 9.9624 9.9624 9.9741 9.9741 10.4121 10.4121 10.4274 10.4274 11.0330 11.0330 11.0387 11.0387 12.2226 12.2226 12.2334 12.2334 13.1962 13.1962 13.2163 13.2163 k = 0.5000-0.0000 0.1635 ( 2718 PWs) bands (ev): 0.7543 0.7543 0.7544 0.7544 3.3586 3.3586 3.3605 3.3605 5.1069 5.1069 5.1095 5.1095 7.4654 7.4654 7.4665 7.4665 8.2920 8.2920 8.3023 8.3023 8.6840 8.6840 8.6876 8.6876 9.9601 9.9601 9.9724 9.9724 10.4181 10.4181 10.4369 10.4369 10.9846 10.9846 10.9875 10.9875 12.2206 12.2206 12.2311 12.2311 13.2458 13.2458 13.2670 13.2670 k = 0.5000-0.0000 0.1549 ( 2728 PWs) bands (ev): 0.7408 0.7408 0.7409 0.7409 3.3951 3.3951 3.3970 3.3970 5.1061 5.1061 5.1085 5.1085 7.4215 7.4215 7.4227 7.4227 8.3210 8.3210 8.3321 8.3321 8.6865 8.6865 8.6908 8.6908 9.9544 9.9544 9.9668 9.9668 10.4231 10.4231 10.4455 10.4455 10.9411 10.9411 10.9412 10.9412 12.2182 12.2182 12.2285 12.2285 13.2952 13.2952 13.3175 13.3175 k = 0.5000-0.0000 0.1463 ( 2728 PWs) bands (ev): 0.7268 0.7268 0.7270 0.7270 3.4339 3.4339 3.4358 3.4358 5.1051 5.1051 5.1075 5.1075 7.3772 7.3772 7.3786 7.3786 8.3485 8.3485 8.3604 8.3604 8.6904 8.6904 8.6955 8.6955 9.9441 9.9441 9.9563 9.9563 10.4272 10.4272 10.4530 10.4530 10.9016 10.9016 10.9051 10.9051 12.2158 12.2158 12.2257 12.2257 13.3437 13.3437 13.3670 13.3670 k = 0.5000-0.0000 0.1377 ( 2728 PWs) bands (ev): 0.7125 0.7125 0.7127 0.7127 3.4744 3.4744 3.4763 3.4763 5.1042 5.1042 5.1064 5.1064 7.3329 7.3329 7.3345 7.3345 8.3739 8.3739 8.3866 8.3866 8.6962 8.6962 8.7020 8.7020 9.9281 9.9281 9.9395 9.9395 10.4306 10.4306 10.4591 10.4591 10.8706 10.8706 10.8774 10.8774 12.2132 12.2132 12.2227 12.2227 13.3907 13.3907 13.4150 13.4150 k = 0.5000-0.0000 0.1291 ( 2740 PWs) bands (ev): 0.6982 0.6982 0.6984 0.6984 3.5163 3.5163 3.5182 3.5182 5.1032 5.1032 5.1053 5.1053 7.2889 7.2889 7.2906 7.2906 8.3970 8.3970 8.4103 8.4103 8.7043 8.7043 8.7106 8.7106 9.9055 9.9055 9.9154 9.9154 10.4339 10.4339 10.4640 10.4640 10.8489 10.8489 10.8584 10.8584 12.2104 12.2104 12.2194 12.2194 13.4359 13.4359 13.4610 13.4610 k = 0.5000-0.0000 0.1205 ( 2740 PWs) bands (ev): 0.6840 0.6840 0.6841 0.6841 3.5591 3.5591 3.5609 3.5609 5.1022 5.1022 5.1042 5.1042 7.2453 7.2453 7.2472 7.2472 8.4175 8.4175 8.4312 8.4312 8.7153 8.7153 8.7219 8.7219 9.8758 9.8758 9.8838 9.8838 10.4383 10.4383 10.4686 10.4686 10.8364 10.8364 10.8478 10.8478 12.2076 12.2076 12.2160 12.2160 13.4790 13.4790 13.5049 13.5049 k = 0.5000-0.0000 0.1119 ( 2724 PWs) bands (ev): 0.6700 0.6700 0.6702 0.6702 3.6023 3.6023 3.6041 3.6041 5.1013 5.1013 5.1031 5.1031 7.2025 7.2025 7.2045 7.2045 8.4353 8.4353 8.4490 8.4490 8.7294 8.7294 8.7360 8.7360 9.8394 9.8394 9.8452 9.8452 10.4444 10.4444 10.4738 10.4738 10.8321 10.8321 10.8445 10.8445 12.2047 12.2047 12.2125 12.2125 13.5199 13.5199 13.5464 13.5464 k = 0.5000-0.0000 0.1032 ( 2724 PWs) bands (ev): 0.6565 0.6565 0.6566 0.6566 3.6454 3.6454 3.6471 3.6471 5.1003 5.1003 5.1020 5.1020 7.1607 7.1607 7.1628 7.1628 8.4502 8.4502 8.4636 8.4636 8.7468 8.7468 8.7532 8.7532 9.7968 9.7968 9.8003 9.8003 10.4525 10.4525 10.4799 10.4799 10.8343 10.8343 10.8468 10.8468 12.2018 12.2018 12.2090 12.2090 13.5585 13.5585 13.5853 13.5853 k = 0.5000-0.0000 0.0946 ( 2716 PWs) bands (ev): 0.6435 0.6435 0.6437 0.6437 3.6879 3.6879 3.6895 3.6895 5.0994 5.0994 5.1009 5.1009 7.1203 7.1203 7.1224 7.1224 8.4624 8.4624 8.4752 8.4752 8.7676 8.7676 8.7733 8.7733 9.7493 9.7493 9.7507 9.7507 10.4627 10.4627 10.4875 10.4875 10.8413 10.8413 10.8534 10.8534 12.1989 12.1989 12.2054 12.2054 13.5948 13.5948 13.6216 13.6216 k = 0.5000-0.0000 0.0860 ( 2718 PWs) bands (ev): 0.6313 0.6313 0.6314 0.6314 3.7292 3.7292 3.7308 3.7308 5.0985 5.0985 5.0999 5.0999 7.0814 7.0814 7.0835 7.0835 8.4720 8.4720 8.4840 8.4840 8.7915 8.7915 8.7963 8.7963 9.6976 9.6976 9.6980 9.6980 10.4744 10.4744 10.4966 10.4966 10.8514 10.8514 10.8627 10.8627 12.1960 12.1960 12.2018 12.2018 13.6286 13.6286 13.6551 13.6551 k = 0.5000-0.0000 0.0774 ( 2716 PWs) bands (ev): 0.6199 0.6199 0.6200 0.6200 3.7689 3.7689 3.7704 3.7704 5.0977 5.0977 5.0989 5.0989 7.0446 7.0446 7.0467 7.0467 8.4796 8.4796 8.4905 8.4905 8.8183 8.8183 8.8220 8.8220 9.6423 9.6423 9.6443 9.6443 10.4874 10.4874 10.5067 10.5067 10.8636 10.8636 10.8737 10.8737 12.1933 12.1933 12.1984 12.1984 13.6600 13.6600 13.6860 13.6860 k = 0.5000-0.0000 0.0688 ( 2716 PWs) bands (ev): 0.6094 0.6094 0.6095 0.6095 3.8064 3.8064 3.8077 3.8077 5.0969 5.0969 5.0980 5.0980 7.0102 7.0102 7.0122 7.0122 8.4854 8.4854 8.4951 8.4951 8.8476 8.8476 8.8502 8.8502 9.5860 9.5860 9.5892 9.5892 10.5009 10.5009 10.5175 10.5175 10.8768 10.8768 10.8856 10.8856 12.1906 12.1906 12.1951 12.1951 13.6890 13.6890 13.7141 13.7141 k = 0.5000-0.0000 0.0602 ( 2714 PWs) bands (ev): 0.5999 0.5999 0.6000 0.6000 3.8411 3.8411 3.8424 3.8424 5.0962 5.0962 5.0971 5.0971 6.9786 6.9786 6.9805 6.9805 8.4898 8.4898 8.4983 8.4983 8.8791 8.8791 8.8806 8.8806 9.5296 9.5296 9.5337 9.5337 10.5144 10.5144 10.5285 10.5285 10.8900 10.8900 10.8976 10.8976 12.1882 12.1882 12.1919 12.1919 13.7156 13.7156 13.7394 13.7394 k = 0.5000-0.0000 0.0516 ( 2714 PWs) bands (ev): 0.5916 0.5916 0.5917 0.5917 3.8726 3.8726 3.8737 3.8737 5.0956 5.0956 5.0963 5.0963 6.9502 6.9502 6.9519 6.9519 8.4932 8.4932 8.5004 8.5004 8.9126 8.9126 8.9131 8.9131 9.4737 9.4737 9.4784 9.4784 10.5273 10.5273 10.5391 10.5391 10.9026 10.9026 10.9089 10.9089 12.1859 12.1859 12.1891 12.1891 13.7398 13.7398 13.7617 13.7617 k = 0.5000-0.0000 0.0430 ( 2702 PWs) bands (ev): 0.5844 0.5844 0.5845 0.5845 3.9002 3.9002 3.9012 3.9012 5.0951 5.0951 5.0957 5.0957 6.9253 6.9253 6.9268 6.9268 8.4957 8.4957 8.5017 8.5017 8.9474 8.9474 8.9479 8.9479 9.4190 9.4190 9.4241 9.4241 10.5393 10.5393 10.5489 10.5489 10.9142 10.9142 10.9194 10.9194 12.1840 12.1840 12.1865 12.1865 13.7613 13.7613 13.7809 13.7809 k = 0.5000-0.0000 0.0344 ( 2710 PWs) bands (ev): 0.5784 0.5784 0.5785 0.5785 3.9236 3.9236 3.9244 3.9244 5.0946 5.0946 5.0951 5.0951 6.9044 6.9044 6.9057 6.9057 8.4976 8.4976 8.5024 8.5024 8.9832 8.9832 8.9847 8.9847 9.3661 9.3661 9.3713 9.3713 10.5498 10.5498 10.5573 10.5573 10.9242 10.9242 10.9282 10.9282 12.1824 12.1824 12.1843 12.1843 13.7800 13.7800 13.7966 13.7966 k = 0.5000-0.0000 0.0258 ( 2714 PWs) bands (ev): 0.5737 0.5737 0.5738 0.5738 3.9423 3.9423 3.9429 3.9429 5.0943 5.0943 5.0946 5.0946 6.8878 6.8878 6.8888 6.8888 8.4991 8.4991 8.5026 8.5026 9.0203 9.0203 9.0224 9.0224 9.3156 9.3156 9.3207 9.3207 10.5585 10.5585 10.5640 10.5640 10.9324 10.9324 10.9353 10.9353 12.1811 12.1811 12.1825 12.1825 13.7956 13.7956 13.8088 13.8088 k = 0.5000-0.0000 0.0172 ( 2714 PWs) bands (ev): 0.5704 0.5704 0.5704 0.5704 3.9559 3.9559 3.9563 3.9563 5.0940 5.0940 5.0943 5.0943 6.8758 6.8758 6.8764 6.8764 8.5002 8.5002 8.5026 8.5026 9.0574 9.0574 9.0601 9.0601 9.2690 9.2690 9.2736 9.2736 10.5652 10.5652 10.5688 10.5688 10.9386 10.9386 10.9405 10.9405 12.1802 12.1802 12.1811 12.1811 13.8079 13.8079 13.8170 13.8170 k = 0.5000-0.0000 0.0086 ( 2710 PWs) bands (ev): 0.5683 0.5683 0.5684 0.5684 3.9642 3.9642 3.9645 3.9645 5.0939 5.0939 5.0941 5.0941 6.8685 6.8685 6.8689 6.8689 8.5011 8.5011 8.5023 8.5023 9.0914 9.0914 9.0938 9.0938 9.2300 9.2300 9.2334 9.2334 10.5697 10.5697 10.5715 10.5715 10.9425 10.9425 10.9435 10.9435 12.1798 12.1798 12.1802 12.1802 13.8164 13.8164 13.8211 13.8211 k = 0.5000-0.0000-0.0000 ( 2708 PWs) bands (ev): 0.5677 0.5677 0.5677 0.5677 3.9671 3.9671 3.9672 3.9672 5.0939 5.0939 5.0940 5.0940 6.8662 6.8662 6.8662 6.8662 8.5018 8.5018 8.5018 8.5018 9.1094 9.1094 9.1094 9.1094 9.2130 9.2130 9.2131 9.2131 10.5718 10.5718 10.5718 10.5718 10.9442 10.9442 10.9442 10.9442 12.1797 12.1797 12.1798 12.1798 13.8208 13.8208 13.8209 13.8209 k = 0.5000 0.2739-0.0000 ( 2732 PWs) bands (ev): 0.6621 0.6621 0.6629 0.6629 3.6949 3.6949 3.7025 3.7025 6.1446 6.1446 6.1588 6.1588 6.4131 6.4131 6.4246 6.4246 7.7821 7.7821 7.8033 7.8033 8.3817 8.3817 8.3918 8.3918 8.9786 8.9786 9.0208 9.0208 10.2561 10.2561 10.3077 10.3077 10.8955 10.8955 10.9323 10.9323 12.7370 12.7370 12.7522 12.7522 13.7163 13.7163 13.7352 13.7352 k = 0.5000 0.2739 0.0086 ( 2732 PWs) bands (ev): 0.6626 0.6626 0.6634 0.6634 3.6953 3.6953 3.7029 3.7029 6.1351 6.1351 6.1492 6.1492 6.4150 6.4150 6.4263 6.4263 7.7867 7.7867 7.8077 7.8077 8.3838 8.3838 8.3941 8.3941 8.9804 8.9804 9.0223 9.0223 10.2579 10.2579 10.3093 10.3093 10.8960 10.8960 10.9328 10.9328 12.7365 12.7365 12.7517 12.7517 13.7159 13.7159 13.7348 13.7348 k = 0.5000 0.2739 0.0172 ( 2740 PWs) bands (ev): 0.6641 0.6641 0.6649 0.6649 3.6964 3.6964 3.7041 3.7041 6.1084 6.1084 6.1222 6.1222 6.4190 6.4190 6.4300 6.4300 7.8002 7.8002 7.8204 7.8204 8.3904 8.3904 8.4010 8.4010 8.9855 8.9855 9.0270 9.0270 10.2632 10.2632 10.3143 10.3143 10.8976 10.8976 10.9341 10.9341 12.7353 12.7353 12.7503 12.7503 13.7145 13.7145 13.7335 13.7335 k = 0.5000 0.2739 0.0258 ( 2740 PWs) bands (ev): 0.6666 0.6666 0.6674 0.6674 3.6984 3.6984 3.7060 3.7060 6.0683 6.0683 6.0816 6.0816 6.4224 6.4224 6.4328 6.4328 7.8218 7.8218 7.8406 7.8406 8.4015 8.4015 8.4127 8.4127 8.9941 8.9941 9.0347 9.0347 10.2720 10.2720 10.3225 10.3225 10.9003 10.9003 10.9363 10.9363 12.7331 12.7331 12.7479 12.7479 13.7123 13.7123 13.7316 13.7316 k = 0.5000 0.2739 0.0344 ( 2740 PWs) bands (ev): 0.6700 0.6700 0.6708 0.6708 3.7011 3.7011 3.7086 3.7086 6.0183 6.0183 6.0310 6.0310 6.4226 6.4226 6.4322 6.4322 7.8497 7.8497 7.8670 7.8670 8.4175 8.4175 8.4294 8.4294 9.0059 9.0059 9.0453 9.0453 10.2843 10.2843 10.3340 10.3340 10.9041 10.9041 10.9395 10.9395 12.7301 12.7301 12.7445 12.7445 13.7095 13.7095 13.7290 13.7290 k = 0.5000 0.2739 0.0430 ( 2740 PWs) bands (ev): 0.6743 0.6743 0.6751 0.6751 3.7046 3.7046 3.7120 3.7120 5.9613 5.9613 5.9734 5.9734 6.4182 6.4182 6.4269 6.4269 7.8824 7.8824 7.8976 7.8976 8.4386 8.4386 8.4514 8.4514 9.0208 9.0208 9.0587 9.0587 10.2999 10.2999 10.3486 10.3486 10.9091 10.9091 10.9436 10.9436 12.7261 12.7261 12.7402 12.7402 13.7063 13.7063 13.7261 13.7261 k = 0.5000 0.2739 0.0516 ( 2740 PWs) bands (ev): 0.6795 0.6795 0.6803 0.6803 3.7087 3.7087 3.7160 3.7160 5.8996 5.8996 5.9110 5.9110 6.4087 6.4087 6.4164 6.4164 7.9176 7.9176 7.9308 7.9308 8.4651 8.4651 8.4789 8.4789 9.0388 9.0388 9.0749 9.0749 10.3188 10.3188 10.3661 10.3661 10.9152 10.9152 10.9486 10.9486 12.7213 12.7213 12.7349 12.7349 13.7027 13.7027 13.7229 13.7229 k = 0.5000 0.2739 0.0602 ( 2740 PWs) bands (ev): 0.6855 0.6855 0.6863 0.6863 3.7134 3.7134 3.7207 3.7207 5.8348 5.8348 5.8455 5.8455 6.3942 6.3942 6.4009 6.4009 7.9536 7.9536 7.9648 7.9648 8.4968 8.4968 8.5118 8.5118 9.0601 9.0601 9.0942 9.0942 10.3406 10.3406 10.3863 10.3863 10.9225 10.9225 10.9546 10.9546 12.7156 12.7156 12.7285 12.7285 13.6992 13.6992 13.7197 13.7197 k = 0.5000 0.2739 0.0688 ( 2740 PWs) bands (ev): 0.6923 0.6923 0.6930 0.6930 3.7188 3.7188 3.7259 3.7259 5.7681 5.7681 5.7781 5.7781 6.3751 6.3751 6.3808 6.3808 7.9888 7.9888 7.9979 7.9979 8.5332 8.5332 8.5492 8.5492 9.0848 9.0848 9.1168 9.1168 10.3651 10.3651 10.4090 10.4090 10.9312 10.9312 10.9615 10.9615 12.7089 12.7089 12.7211 12.7211 13.6959 13.6959 13.7170 13.7170 k = 0.5000 0.2739 0.0774 ( 2732 PWs) bands (ev): 0.6998 0.6998 0.7005 0.7005 3.7247 3.7247 3.7317 3.7317 5.7007 5.7007 5.7099 5.7099 6.3521 6.3521 6.3568 6.3568 8.0221 8.0221 8.0294 8.0294 8.5733 8.5733 8.5901 8.5901 9.1136 9.1136 9.1433 9.1433 10.3919 10.3919 10.4337 10.4337 10.9412 10.9412 10.9695 10.9695 12.7013 12.7013 12.7127 12.7127 13.6933 13.6933 13.7148 13.7148 k = 0.5000 0.2739 0.0860 ( 2744 PWs) bands (ev): 0.7079 0.7079 0.7086 0.7086 3.7310 3.7310 3.7378 3.7378 5.6332 5.6332 5.6419 5.6419 6.3258 6.3258 6.3296 6.3296 8.0528 8.0528 8.0586 8.0586 8.6151 8.6151 8.6325 8.6325 9.1472 9.1472 9.1746 9.1746 10.4205 10.4205 10.4598 10.4598 10.9524 10.9524 10.9784 10.9784 12.6927 12.6927 12.7032 12.7032 13.6916 13.6916 13.7136 13.7136 k = 0.5000 0.2739 0.0946 ( 2740 PWs) bands (ev): 0.7165 0.7165 0.7172 0.7172 3.7377 3.7377 3.7444 3.7444 5.5667 5.5667 5.5747 5.5747 6.2970 6.2970 6.2999 6.2999 8.0809 8.0809 8.0855 8.0855 8.6566 8.6566 8.6744 8.6744 9.1866 9.1866 9.2117 9.2117 10.4504 10.4504 10.4870 10.4870 10.9652 10.9652 10.9884 10.9884 12.6832 12.6832 12.6927 12.6927 13.6912 13.6912 13.7136 13.7136 k = 0.5000 0.2739 0.1032 ( 2740 PWs) bands (ev): 0.7256 0.7256 0.7262 0.7262 3.7447 3.7447 3.7511 3.7511 5.5015 5.5015 5.5089 5.5089 6.2662 6.2662 6.2684 6.2684 8.1064 8.1064 8.1101 8.1101 8.6956 8.6956 8.7135 8.7135 9.2326 9.2326 9.2554 9.2554 10.4809 10.4809 10.5144 10.5144 10.9794 10.9794 10.9995 10.9995 12.6726 12.6726 12.6810 12.6810 13.6923 13.6923 13.7153 13.7153 k = 0.5000 0.2739 0.1119 ( 2732 PWs) bands (ev): 0.7350 0.7350 0.7356 0.7356 3.7518 3.7518 3.7581 3.7581 5.4383 5.4383 5.4451 5.4451 6.2341 6.2341 6.2357 6.2357 8.1298 8.1298 8.1327 8.1327 8.7304 8.7304 8.7481 8.7481 9.2855 9.2855 9.3065 9.3065 10.5113 10.5113 10.5416 10.5416 10.9952 10.9952 11.0117 11.0117 12.6611 12.6611 12.6684 12.6684 13.6954 13.6954 13.7187 13.7187 k = 0.5000 0.2739 0.1205 ( 2736 PWs) bands (ev): 0.7446 0.7446 0.7451 0.7451 3.7591 3.7591 3.7651 3.7651 5.3775 5.3775 5.3837 5.3837 6.2013 6.2013 6.2023 6.2023 8.1512 8.1512 8.1535 8.1535 8.7597 8.7597 8.7768 8.7768 9.3453 9.3453 9.3646 9.3646 10.5410 10.5410 10.5677 10.5677 11.0123 11.0123 11.0248 11.0248 12.6486 12.6486 12.6547 12.6547 13.7005 13.7005 13.7242 13.7242 k = 0.5000 0.2739 0.1291 ( 2740 PWs) bands (ev): 0.7543 0.7543 0.7548 0.7548 3.7664 3.7664 3.7721 3.7721 5.3196 5.3196 5.3253 5.3253 6.1683 6.1683 6.1689 6.1689 8.1710 8.1710 8.1729 8.1729 8.7833 8.7833 8.7995 8.7995 9.4111 9.4111 9.4290 9.4290 10.5693 10.5693 10.5922 10.5922 11.0307 11.0307 11.0391 11.0391 12.6352 12.6352 12.6401 12.6401 13.7079 13.7079 13.7318 13.7318 k = 0.5000 0.2739 0.1377 ( 2740 PWs) bands (ev): 0.7640 0.7640 0.7645 0.7645 3.7735 3.7735 3.7789 3.7789 5.2648 5.2648 5.2700 5.2700 6.1356 6.1356 6.1358 6.1358 8.1895 8.1895 8.1910 8.1910 8.8015 8.8015 8.8166 8.8166 9.4817 9.4817 9.4984 9.4984 10.5955 10.5955 10.6145 10.6145 11.0501 11.0501 11.0542 11.0542 12.6209 12.6209 12.6246 12.6246 13.7176 13.7176 13.7416 13.7416 k = 0.5000 0.2739 0.1463 ( 2748 PWs) bands (ev): 0.7735 0.7735 0.7740 0.7740 3.7804 3.7804 3.7855 3.7855 5.2136 5.2136 5.2183 5.2183 6.1037 6.1037 6.1038 6.1038 8.2067 8.2067 8.2078 8.2078 8.8149 8.8149 8.8288 8.8288 9.5553 9.5553 9.5711 9.5711 10.6190 10.6190 10.6342 10.6342 11.0701 11.0701 11.0702 11.0702 12.6060 12.6060 12.6085 12.6085 13.7298 13.7298 13.7537 13.7537 k = 0.5000 0.2739 0.1549 ( 2744 PWs) bands (ev): 0.7828 0.7828 0.7832 0.7832 3.7871 3.7871 3.7918 3.7918 5.1662 5.1662 5.1704 5.1704 6.0728 6.0728 6.0732 6.0732 8.2228 8.2228 8.2237 8.2237 8.8243 8.8243 8.8369 8.8369 9.6306 9.6306 9.6454 9.6454 10.6395 10.6395 10.6511 10.6511 11.0866 11.0866 11.0905 11.0905 12.5904 12.5904 12.5919 12.5919 13.7442 13.7442 13.7678 13.7678 k = 0.5000 0.2739 0.1635 ( 2744 PWs) bands (ev): 0.7917 0.7917 0.7921 0.7921 3.7933 3.7933 3.7977 3.7977 5.1228 5.1228 5.1266 5.1266 6.0436 6.0436 6.0442 6.0442 8.2378 8.2378 8.2385 8.2385 8.8304 8.8304 8.8416 8.8416 9.7057 9.7057 9.7197 9.7197 10.6565 10.6565 10.6649 10.6649 11.1032 11.1032 11.1105 11.1105 12.5746 12.5746 12.5751 12.5751 13.7607 13.7607 13.7836 13.7836 k = 0.5000 0.2739 0.1721 ( 2748 PWs) bands (ev): 0.8000 0.8000 0.8004 0.8004 3.7991 3.7991 3.8030 3.8030 5.0837 5.0837 5.0870 5.0870 6.0165 6.0165 6.0172 6.0172 8.2516 8.2516 8.2522 8.2522 8.8339 8.8339 8.8438 8.8438 9.7794 9.7794 9.7924 9.7924 10.6700 10.6700 10.6756 10.6756 11.1197 11.1197 11.1296 11.1296 12.5584 12.5584 12.5588 12.5588 13.7787 13.7787 13.8007 13.8007 k = 0.5000 0.2739 0.1807 ( 2748 PWs) bands (ev): 0.8077 0.8077 0.8080 0.8080 3.8043 3.8043 3.8078 3.8078 5.0489 5.0489 5.0518 5.0518 5.9918 5.9918 5.9925 5.9925 8.2643 8.2643 8.2648 8.2648 8.8356 8.8356 8.8442 8.8442 9.8500 9.8500 9.8620 9.8620 10.6799 10.6799 10.6833 10.6833 11.1356 11.1356 11.1474 11.1474 12.5422 12.5422 12.5433 12.5433 13.7977 13.7977 13.8184 13.8184 k = 0.5000 0.2739 0.1893 ( 2744 PWs) bands (ev): 0.8147 0.8147 0.8150 0.8150 3.8089 3.8089 3.8120 3.8120 5.0187 5.0187 5.0212 5.0212 5.9697 5.9697 5.9704 5.9704 8.2757 8.2757 8.2761 8.2761 8.8359 8.8359 8.8432 8.8432 9.9162 9.9162 9.9271 9.9271 10.6864 10.6864 10.6881 10.6881 11.1506 11.1506 11.1632 11.1632 12.5269 12.5269 12.5284 12.5284 13.8171 13.8171 13.8360 13.8360 k = 0.5000 0.2739 0.1979 ( 2740 PWs) bands (ev): 0.8208 0.8208 0.8210 0.8210 3.8129 3.8129 3.8155 3.8155 4.9930 4.9930 4.9951 4.9951 5.9506 5.9506 5.9513 5.9513 8.2857 8.2857 8.2860 8.2860 8.8354 8.8354 8.8414 8.8414 9.9765 9.9765 9.9861 9.9861 10.6900 10.6900 10.6906 10.6906 11.1643 11.1643 11.1768 11.1768 12.5129 12.5129 12.5147 12.5147 13.8360 13.8360 13.8526 13.8526 k = 0.5000 0.2739 0.2065 ( 2740 PWs) bands (ev): 0.8259 0.8259 0.8261 0.8261 3.8163 3.8163 3.8183 3.8183 4.9720 4.9720 4.9737 4.9737 5.9346 5.9346 5.9352 5.9352 8.2941 8.2941 8.2943 8.2943 8.8344 8.8344 8.8392 8.8392 10.0294 10.0294 10.0374 10.0374 10.6909 10.6909 10.6910 10.6910 11.1764 11.1764 11.1878 11.1878 12.5008 12.5008 12.5025 12.5025 13.8534 13.8534 13.8674 13.8674 k = 0.5000 0.2739 0.2151 ( 2740 PWs) bands (ev): 0.8300 0.8300 0.8301 0.8301 3.8189 3.8189 3.8205 3.8205 4.9557 4.9557 4.9569 4.9569 5.9220 5.9220 5.9225 5.9225 8.3009 8.3009 8.3010 8.3010 8.8334 8.8334 8.8370 8.8370 10.0732 10.0732 10.0795 10.0795 10.6899 10.6899 10.6902 10.6902 11.1866 11.1866 11.1960 11.1960 12.4909 12.4909 12.4924 12.4924 13.8686 13.8686 13.8796 13.8796 k = 0.5000 0.2739 0.2237 ( 2740 PWs) bands (ev): 0.8329 0.8329 0.8331 0.8331 3.8209 3.8209 3.8220 3.8220 4.9441 4.9441 4.9449 4.9449 5.9129 5.9129 5.9133 5.9133 8.3058 8.3058 8.3059 8.3059 8.8327 8.8327 8.8351 8.8351 10.1064 10.1064 10.1107 10.1107 10.6883 10.6883 10.6886 10.6886 11.1946 11.1946 11.2013 11.2013 12.4836 12.4836 12.4848 12.4848 13.8808 13.8808 13.8883 13.8883 k = 0.5000 0.2739 0.2323 ( 2752 PWs) bands (ev): 0.8347 0.8347 0.8348 0.8348 3.8222 3.8222 3.8227 3.8227 4.9372 4.9372 4.9376 4.9376 5.9075 5.9075 5.9076 5.9076 8.3088 8.3088 8.3088 8.3088 8.8323 8.8323 8.8335 8.8335 10.1274 10.1274 10.1296 10.1296 10.6869 10.6869 10.6871 10.6871 11.2002 11.2002 11.2037 11.2037 12.4792 12.4792 12.4798 12.4798 13.8891 13.8891 13.8929 13.8929 k = 0.5000 0.2739 0.2409 ( 2760 PWs) bands (ev): 0.8353 0.8353 0.8354 0.8354 3.8228 3.8228 3.8228 3.8228 4.9350 4.9350 4.9351 4.9351 5.9057 5.9057 5.9057 5.9057 8.3098 8.3098 8.3098 8.3098 8.8326 8.8326 8.8326 8.8326 10.1353 10.1353 10.1353 10.1353 10.6864 10.6864 10.6864 10.6864 11.2033 11.2033 11.2033 11.2033 12.4779 12.4779 12.4780 12.4780 13.8932 13.8932 13.8932 13.8932 Writing output data file FeP2.save init_run : 0.16s CPU 0.33s WALL ( 1 calls) electrons : 183.32s CPU 186.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 183.31s CPU 186.46s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 484 calls) cegterg : 167.12s CPU 169.43s WALL ( 732 calls) Called by sum_band: Called by *egterg: h_psi : 89.18s CPU 91.55s WALL ( 12043 calls) s_psi : 9.94s CPU 9.80s WALL ( 12043 calls) g_psi : 0.23s CPU 0.21s WALL ( 10827 calls) cdiaghg : 65.64s CPU 65.48s WALL ( 11311 calls) cegterg:over : 5.43s CPU 5.73s WALL ( 10827 calls) cegterg:upda : 4.18s CPU 4.36s WALL ( 10827 calls) cegterg:last : 2.41s CPU 2.60s WALL ( 2077 calls) cdiaghg:chol : 3.52s CPU 3.58s WALL ( 11311 calls) cdiaghg:inve : 2.14s CPU 2.05s WALL ( 11311 calls) cdiaghg:para : 3.84s CPU 3.80s WALL ( 22622 calls) Called by h_psi: h_psi:vloc : 68.82s CPU 70.91s WALL ( 12043 calls) h_psi:vnl : 20.14s CPU 20.43s WALL ( 12043 calls) add_vuspsi : 11.59s CPU 11.58s WALL ( 12043 calls) General routines calbec : 8.53s CPU 8.81s WALL ( 12043 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 65.28s CPU 67.19s WALL ( 1130284 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 968 calls) Parallel routines fft_scatter : 28.05s CPU 28.76s WALL ( 1130307 calls) PWSCF : 3m19.48s CPU 3m38.02s WALL This run was terminated on: 18:19:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=