Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:32:54 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: ./KAuO2.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 15 4 1738 502 82 Max 37 16 5 1744 524 91 Sum 1301 573 177 62677 18497 3171 bravais-lattice index = 14 lattice parameter (alat) = 5.6786 a.u. unit-cell volume = 425.2181 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.678627 celldm(2)= 1.193012 celldm(3)= 1.946423 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 1.193012 0.000000 ) a(3) = ( 0.000000 0.000000 1.946423 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.838215 -0.000000 ) b(3) = ( 0.000000 0.000000 0.513763 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) Au 11.00 196.96660 Au( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 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 = 3 180 deg rotation - cart. axis [0,1,0] 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 = 4 180 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 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 508 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 2) = ( 0.0094340 -0.0000000 -0.0000000), wk = 0.0019685 k( 3) = ( 0.0188679 -0.0000000 -0.0000000), wk = 0.0019685 k( 4) = ( 0.0283019 -0.0000000 -0.0000000), wk = 0.0019685 k( 5) = ( 0.0377359 -0.0000000 -0.0000000), wk = 0.0019685 k( 6) = ( 0.0471698 -0.0000000 -0.0000000), wk = 0.0019685 k( 7) = ( 0.0566038 -0.0000000 -0.0000000), wk = 0.0019685 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0019685 k( 9) = ( 0.0754717 -0.0000000 -0.0000000), wk = 0.0019685 k( 10) = ( 0.0849057 -0.0000000 -0.0000000), wk = 0.0019685 k( 11) = ( 0.0943396 -0.0000000 -0.0000000), wk = 0.0019685 k( 12) = ( 0.1037736 -0.0000000 -0.0000000), wk = 0.0019685 k( 13) = ( 0.1132076 -0.0000000 -0.0000000), wk = 0.0019685 k( 14) = ( 0.1226415 -0.0000000 -0.0000000), wk = 0.0019685 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0019685 k( 16) = ( 0.1415094 -0.0000000 -0.0000000), wk = 0.0019685 k( 17) = ( 0.1509434 -0.0000000 -0.0000000), wk = 0.0019685 k( 18) = ( 0.1603774 -0.0000000 -0.0000000), wk = 0.0019685 k( 19) = ( 0.1698113 -0.0000000 -0.0000000), wk = 0.0019685 k( 20) = ( 0.1792453 -0.0000000 -0.0000000), wk = 0.0019685 k( 21) = ( 0.1886792 -0.0000000 -0.0000000), wk = 0.0019685 k( 22) = ( 0.1981132 -0.0000000 -0.0000000), wk = 0.0019685 k( 23) = ( 0.2075472 -0.0000000 -0.0000000), wk = 0.0019685 k( 24) = ( 0.2169811 -0.0000000 -0.0000000), wk = 0.0019685 k( 25) = ( 0.2264151 -0.0000000 -0.0000000), wk = 0.0019685 k( 26) = ( 0.2358491 -0.0000000 -0.0000000), wk = 0.0019685 k( 27) = ( 0.2452830 -0.0000000 -0.0000000), wk = 0.0019685 k( 28) = ( 0.2547170 -0.0000000 -0.0000000), wk = 0.0019685 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0019685 k( 30) = ( 0.2735849 -0.0000000 -0.0000000), wk = 0.0019685 k( 31) = ( 0.2830189 -0.0000000 -0.0000000), wk = 0.0019685 k( 32) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0019685 k( 33) = ( 0.3018868 -0.0000000 -0.0000000), wk = 0.0019685 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0019685 k( 35) = ( 0.3207547 -0.0000000 -0.0000000), wk = 0.0019685 k( 36) = ( 0.3301887 -0.0000000 -0.0000000), wk = 0.0019685 k( 37) = ( 0.3396226 -0.0000000 -0.0000000), wk = 0.0019685 k( 38) = ( 0.3490566 -0.0000000 -0.0000000), wk = 0.0019685 k( 39) = ( 0.3584906 -0.0000000 -0.0000000), wk = 0.0019685 k( 40) = ( 0.3679245 -0.0000000 -0.0000000), wk = 0.0019685 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0019685 k( 42) = ( 0.3867925 -0.0000000 -0.0000000), wk = 0.0019685 k( 43) = ( 0.3962264 -0.0000000 -0.0000000), wk = 0.0019685 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0019685 k( 45) = ( 0.4150943 -0.0000000 -0.0000000), wk = 0.0019685 k( 46) = ( 0.4245283 -0.0000000 -0.0000000), wk = 0.0019685 k( 47) = ( 0.4339623 -0.0000000 -0.0000000), wk = 0.0019685 k( 48) = ( 0.4433962 -0.0000000 -0.0000000), wk = 0.0019685 k( 49) = ( 0.4528302 -0.0000000 -0.0000000), wk = 0.0019685 k( 50) = ( 0.4622641 -0.0000000 -0.0000000), wk = 0.0019685 k( 51) = ( 0.4716981 -0.0000000 -0.0000000), wk = 0.0019685 k( 52) = ( 0.4811321 -0.0000000 -0.0000000), wk = 0.0019685 k( 53) = ( 0.4905660 -0.0000000 -0.0000000), wk = 0.0019685 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019685 k( 55) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019685 k( 56) = ( 0.5000000 0.0095252 -0.0000000), wk = 0.0019685 k( 57) = ( 0.5000000 0.0190503 -0.0000000), wk = 0.0019685 k( 58) = ( 0.5000000 0.0285755 -0.0000000), wk = 0.0019685 k( 59) = ( 0.5000000 0.0381007 -0.0000000), wk = 0.0019685 k( 60) = ( 0.5000000 0.0476258 -0.0000000), wk = 0.0019685 k( 61) = ( 0.5000000 0.0571510 -0.0000000), wk = 0.0019685 k( 62) = ( 0.5000000 0.0666762 -0.0000000), wk = 0.0019685 k( 63) = ( 0.5000000 0.0762013 -0.0000000), wk = 0.0019685 k( 64) = ( 0.5000000 0.0857265 -0.0000000), wk = 0.0019685 k( 65) = ( 0.5000000 0.0952517 -0.0000000), wk = 0.0019685 k( 66) = ( 0.5000000 0.1047768 -0.0000000), wk = 0.0019685 k( 67) = ( 0.5000000 0.1143020 -0.0000000), wk = 0.0019685 k( 68) = ( 0.5000000 0.1238272 -0.0000000), wk = 0.0019685 k( 69) = ( 0.5000000 0.1333524 -0.0000000), wk = 0.0019685 k( 70) = ( 0.5000000 0.1428775 -0.0000000), wk = 0.0019685 k( 71) = ( 0.5000000 0.1524027 -0.0000000), wk = 0.0019685 k( 72) = ( 0.5000000 0.1619279 -0.0000000), wk = 0.0019685 k( 73) = ( 0.5000000 0.1714530 -0.0000000), wk = 0.0019685 k( 74) = ( 0.5000000 0.1809782 -0.0000000), wk = 0.0019685 k( 75) = ( 0.5000000 0.1905034 -0.0000000), wk = 0.0019685 k( 76) = ( 0.5000000 0.2000285 -0.0000000), wk = 0.0019685 k( 77) = ( 0.5000000 0.2095537 -0.0000000), wk = 0.0019685 k( 78) = ( 0.5000000 0.2190789 -0.0000000), wk = 0.0019685 k( 79) = ( 0.5000000 0.2286040 -0.0000000), wk = 0.0019685 k( 80) = ( 0.5000000 0.2381292 -0.0000000), wk = 0.0019685 k( 81) = ( 0.5000000 0.2476544 -0.0000000), wk = 0.0019685 k( 82) = ( 0.5000000 0.2571795 -0.0000000), wk = 0.0019685 k( 83) = ( 0.5000000 0.2667047 -0.0000000), wk = 0.0019685 k( 84) = ( 0.5000000 0.2762299 -0.0000000), wk = 0.0019685 k( 85) = ( 0.5000000 0.2857550 -0.0000000), wk = 0.0019685 k( 86) = ( 0.5000000 0.2952802 -0.0000000), wk = 0.0019685 k( 87) = ( 0.5000000 0.3048054 -0.0000000), wk = 0.0019685 k( 88) = ( 0.5000000 0.3143305 -0.0000000), wk = 0.0019685 k( 89) = ( 0.5000000 0.3238557 -0.0000000), wk = 0.0019685 k( 90) = ( 0.5000000 0.3333809 -0.0000000), wk = 0.0019685 k( 91) = ( 0.5000000 0.3429060 -0.0000000), wk = 0.0019685 k( 92) = ( 0.5000000 0.3524312 -0.0000000), wk = 0.0019685 k( 93) = ( 0.5000000 0.3619564 -0.0000000), wk = 0.0019685 k( 94) = ( 0.5000000 0.3714816 -0.0000000), wk = 0.0019685 k( 95) = ( 0.5000000 0.3810067 -0.0000000), wk = 0.0019685 k( 96) = ( 0.5000000 0.3905319 -0.0000000), wk = 0.0019685 k( 97) = ( 0.5000000 0.4000571 -0.0000000), wk = 0.0019685 k( 98) = ( 0.5000000 0.4095822 -0.0000000), wk = 0.0019685 k( 99) = ( 0.5000000 0.4191074 -0.0000000), wk = 0.0019685 k( 100) = ( 0.5000000 0.4191074 -0.0000000), wk = 0.0019685 k( 101) = ( 0.4905660 0.4191074 -0.0000000), wk = 0.0019685 k( 102) = ( 0.4811321 0.4191074 -0.0000000), wk = 0.0019685 k( 103) = ( 0.4716981 0.4191074 -0.0000000), wk = 0.0019685 k( 104) = ( 0.4622641 0.4191074 -0.0000000), wk = 0.0019685 k( 105) = ( 0.4528302 0.4191074 -0.0000000), wk = 0.0019685 k( 106) = ( 0.4433962 0.4191074 -0.0000000), wk = 0.0019685 k( 107) = ( 0.4339623 0.4191074 -0.0000000), wk = 0.0019685 k( 108) = ( 0.4245283 0.4191074 -0.0000000), wk = 0.0019685 k( 109) = ( 0.4150943 0.4191074 -0.0000000), wk = 0.0019685 k( 110) = ( 0.4056604 0.4191074 -0.0000000), wk = 0.0019685 k( 111) = ( 0.3962264 0.4191074 -0.0000000), wk = 0.0019685 k( 112) = ( 0.3867925 0.4191074 -0.0000000), wk = 0.0019685 k( 113) = ( 0.3773585 0.4191074 -0.0000000), wk = 0.0019685 k( 114) = ( 0.3679245 0.4191074 -0.0000000), wk = 0.0019685 k( 115) = ( 0.3584906 0.4191074 -0.0000000), wk = 0.0019685 k( 116) = ( 0.3490566 0.4191074 -0.0000000), wk = 0.0019685 k( 117) = ( 0.3396226 0.4191074 -0.0000000), wk = 0.0019685 k( 118) = ( 0.3301887 0.4191074 -0.0000000), wk = 0.0019685 k( 119) = ( 0.3207547 0.4191074 -0.0000000), wk = 0.0019685 k( 120) = ( 0.3113207 0.4191074 -0.0000000), wk = 0.0019685 k( 121) = ( 0.3018868 0.4191074 -0.0000000), wk = 0.0019685 k( 122) = ( 0.2924528 0.4191074 -0.0000000), wk = 0.0019685 k( 123) = ( 0.2830189 0.4191074 -0.0000000), wk = 0.0019685 k( 124) = ( 0.2735849 0.4191074 -0.0000000), wk = 0.0019685 k( 125) = ( 0.2641509 0.4191074 -0.0000000), wk = 0.0019685 k( 126) = ( 0.2547170 0.4191074 -0.0000000), wk = 0.0019685 k( 127) = ( 0.2452830 0.4191074 -0.0000000), wk = 0.0019685 k( 128) = ( 0.2358491 0.4191074 -0.0000000), wk = 0.0019685 k( 129) = ( 0.2264151 0.4191074 -0.0000000), wk = 0.0019685 k( 130) = ( 0.2169811 0.4191074 -0.0000000), wk = 0.0019685 k( 131) = ( 0.2075472 0.4191074 -0.0000000), wk = 0.0019685 k( 132) = ( 0.1981132 0.4191074 -0.0000000), wk = 0.0019685 k( 133) = ( 0.1886792 0.4191074 -0.0000000), wk = 0.0019685 k( 134) = ( 0.1792453 0.4191074 -0.0000000), wk = 0.0019685 k( 135) = ( 0.1698113 0.4191074 -0.0000000), wk = 0.0019685 k( 136) = ( 0.1603774 0.4191074 -0.0000000), wk = 0.0019685 k( 137) = ( 0.1509434 0.4191074 -0.0000000), wk = 0.0019685 k( 138) = ( 0.1415094 0.4191074 -0.0000000), wk = 0.0019685 k( 139) = ( 0.1320755 0.4191074 -0.0000000), wk = 0.0019685 k( 140) = ( 0.1226415 0.4191074 -0.0000000), wk = 0.0019685 k( 141) = ( 0.1132076 0.4191074 -0.0000000), wk = 0.0019685 k( 142) = ( 0.1037736 0.4191074 -0.0000000), wk = 0.0019685 k( 143) = ( 0.0943396 0.4191074 -0.0000000), wk = 0.0019685 k( 144) = ( 0.0849057 0.4191074 -0.0000000), wk = 0.0019685 k( 145) = ( 0.0754717 0.4191074 -0.0000000), wk = 0.0019685 k( 146) = ( 0.0660377 0.4191074 -0.0000000), wk = 0.0019685 k( 147) = ( 0.0566038 0.4191074 -0.0000000), wk = 0.0019685 k( 148) = ( 0.0471698 0.4191074 -0.0000000), wk = 0.0019685 k( 149) = ( 0.0377359 0.4191074 -0.0000000), wk = 0.0019685 k( 150) = ( 0.0283019 0.4191074 -0.0000000), wk = 0.0019685 k( 151) = ( 0.0188679 0.4191074 -0.0000000), wk = 0.0019685 k( 152) = ( 0.0094340 0.4191074 -0.0000000), wk = 0.0019685 k( 153) = ( 0.0000000 0.4191074 -0.0000000), wk = 0.0019685 k( 154) = ( 0.0000000 0.4191074 -0.0000000), wk = 0.0019685 k( 155) = ( 0.0000000 0.4095822 -0.0000000), wk = 0.0019685 k( 156) = ( 0.0000000 0.4000571 -0.0000000), wk = 0.0019685 k( 157) = ( 0.0000000 0.3905319 -0.0000000), wk = 0.0019685 k( 158) = ( 0.0000000 0.3810067 -0.0000000), wk = 0.0019685 k( 159) = ( 0.0000000 0.3714816 -0.0000000), wk = 0.0019685 k( 160) = ( 0.0000000 0.3619564 -0.0000000), wk = 0.0019685 k( 161) = ( 0.0000000 0.3524312 -0.0000000), wk = 0.0019685 k( 162) = ( 0.0000000 0.3429060 -0.0000000), wk = 0.0019685 k( 163) = ( 0.0000000 0.3333809 -0.0000000), wk = 0.0019685 k( 164) = ( 0.0000000 0.3238557 -0.0000000), wk = 0.0019685 k( 165) = ( 0.0000000 0.3143305 -0.0000000), wk = 0.0019685 k( 166) = ( 0.0000000 0.3048054 -0.0000000), wk = 0.0019685 k( 167) = ( 0.0000000 0.2952802 -0.0000000), wk = 0.0019685 k( 168) = ( 0.0000000 0.2857550 -0.0000000), wk = 0.0019685 k( 169) = ( 0.0000000 0.2762299 -0.0000000), wk = 0.0019685 k( 170) = ( 0.0000000 0.2667047 -0.0000000), wk = 0.0019685 k( 171) = ( 0.0000000 0.2571795 -0.0000000), wk = 0.0019685 k( 172) = ( 0.0000000 0.2476544 -0.0000000), wk = 0.0019685 k( 173) = ( 0.0000000 0.2381292 -0.0000000), wk = 0.0019685 k( 174) = ( 0.0000000 0.2286040 -0.0000000), wk = 0.0019685 k( 175) = ( 0.0000000 0.2190789 -0.0000000), wk = 0.0019685 k( 176) = ( 0.0000000 0.2095537 -0.0000000), wk = 0.0019685 k( 177) = ( 0.0000000 0.2000285 -0.0000000), wk = 0.0019685 k( 178) = ( 0.0000000 0.1905034 -0.0000000), wk = 0.0019685 k( 179) = ( 0.0000000 0.1809782 -0.0000000), wk = 0.0019685 k( 180) = ( 0.0000000 0.1714530 -0.0000000), wk = 0.0019685 k( 181) = ( 0.0000000 0.1619279 -0.0000000), wk = 0.0019685 k( 182) = ( 0.0000000 0.1524027 -0.0000000), wk = 0.0019685 k( 183) = ( 0.0000000 0.1428775 -0.0000000), wk = 0.0019685 k( 184) = ( 0.0000000 0.1333524 -0.0000000), wk = 0.0019685 k( 185) = ( 0.0000000 0.1238272 -0.0000000), wk = 0.0019685 k( 186) = ( 0.0000000 0.1143020 -0.0000000), wk = 0.0019685 k( 187) = ( 0.0000000 0.1047768 -0.0000000), wk = 0.0019685 k( 188) = ( 0.0000000 0.0952517 -0.0000000), wk = 0.0019685 k( 189) = ( 0.0000000 0.0857265 -0.0000000), wk = 0.0019685 k( 190) = ( 0.0000000 0.0762013 -0.0000000), wk = 0.0019685 k( 191) = ( 0.0000000 0.0666762 -0.0000000), wk = 0.0019685 k( 192) = ( 0.0000000 0.0571510 -0.0000000), wk = 0.0019685 k( 193) = ( 0.0000000 0.0476258 -0.0000000), wk = 0.0019685 k( 194) = ( 0.0000000 0.0381007 -0.0000000), wk = 0.0019685 k( 195) = ( 0.0000000 0.0285755 -0.0000000), wk = 0.0019685 k( 196) = ( 0.0000000 0.0190503 -0.0000000), wk = 0.0019685 k( 197) = ( 0.0000000 0.0095252 -0.0000000), wk = 0.0019685 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 200) = ( 0.0000000 0.0000000 0.0095141), wk = 0.0019685 k( 201) = ( 0.0000000 0.0000000 0.0190283), wk = 0.0019685 k( 202) = ( 0.0000000 0.0000000 0.0285424), wk = 0.0019685 k( 203) = ( 0.0000000 0.0000000 0.0380565), wk = 0.0019685 k( 204) = ( 0.0000000 0.0000000 0.0475707), wk = 0.0019685 k( 205) = ( 0.0000000 0.0000000 0.0570848), wk = 0.0019685 k( 206) = ( 0.0000000 0.0000000 0.0665989), wk = 0.0019685 k( 207) = ( 0.0000000 0.0000000 0.0761130), wk = 0.0019685 k( 208) = ( 0.0000000 0.0000000 0.0856272), wk = 0.0019685 k( 209) = ( 0.0000000 0.0000000 0.0951413), wk = 0.0019685 k( 210) = ( 0.0000000 0.0000000 0.1046554), wk = 0.0019685 k( 211) = ( 0.0000000 0.0000000 0.1141696), wk = 0.0019685 k( 212) = ( 0.0000000 0.0000000 0.1236837), wk = 0.0019685 k( 213) = ( 0.0000000 0.0000000 0.1331978), wk = 0.0019685 k( 214) = ( 0.0000000 0.0000000 0.1427120), wk = 0.0019685 k( 215) = ( 0.0000000 0.0000000 0.1522261), wk = 0.0019685 k( 216) = ( 0.0000000 0.0000000 0.1617402), wk = 0.0019685 k( 217) = ( 0.0000000 0.0000000 0.1712543), wk = 0.0019685 k( 218) = ( 0.0000000 0.0000000 0.1807685), wk = 0.0019685 k( 219) = ( 0.0000000 0.0000000 0.1902826), wk = 0.0019685 k( 220) = ( 0.0000000 0.0000000 0.1997967), wk = 0.0019685 k( 221) = ( 0.0000000 0.0000000 0.2093109), wk = 0.0019685 k( 222) = ( 0.0000000 0.0000000 0.2188250), wk = 0.0019685 k( 223) = ( 0.0000000 0.0000000 0.2283391), wk = 0.0019685 k( 224) = ( 0.0000000 0.0000000 0.2378533), wk = 0.0019685 k( 225) = ( 0.0000000 0.0000000 0.2473674), wk = 0.0019685 k( 226) = ( 0.0000000 0.0000000 0.2568815), wk = 0.0019685 k( 227) = ( 0.0000000 0.0000000 0.2568815), wk = 0.0019685 k( 228) = ( 0.0094340 -0.0000000 0.2568815), wk = 0.0019685 k( 229) = ( 0.0188679 -0.0000000 0.2568815), wk = 0.0019685 k( 230) = ( 0.0283019 -0.0000000 0.2568815), wk = 0.0019685 k( 231) = ( 0.0377359 -0.0000000 0.2568815), wk = 0.0019685 k( 232) = ( 0.0471698 -0.0000000 0.2568815), wk = 0.0019685 k( 233) = ( 0.0566038 -0.0000000 0.2568815), wk = 0.0019685 k( 234) = ( 0.0660377 -0.0000000 0.2568815), wk = 0.0019685 k( 235) = ( 0.0754717 -0.0000000 0.2568815), wk = 0.0019685 k( 236) = ( 0.0849057 -0.0000000 0.2568815), wk = 0.0019685 k( 237) = ( 0.0943396 -0.0000000 0.2568815), wk = 0.0019685 k( 238) = ( 0.1037736 -0.0000000 0.2568815), wk = 0.0019685 k( 239) = ( 0.1132076 -0.0000000 0.2568815), wk = 0.0019685 k( 240) = ( 0.1226415 -0.0000000 0.2568815), wk = 0.0019685 k( 241) = ( 0.1320755 -0.0000000 0.2568815), wk = 0.0019685 k( 242) = ( 0.1415094 -0.0000000 0.2568815), wk = 0.0019685 k( 243) = ( 0.1509434 -0.0000000 0.2568815), wk = 0.0019685 k( 244) = ( 0.1603774 -0.0000000 0.2568815), wk = 0.0019685 k( 245) = ( 0.1698113 -0.0000000 0.2568815), wk = 0.0019685 k( 246) = ( 0.1792453 -0.0000000 0.2568815), wk = 0.0019685 k( 247) = ( 0.1886792 -0.0000000 0.2568815), wk = 0.0019685 k( 248) = ( 0.1981132 -0.0000000 0.2568815), wk = 0.0019685 k( 249) = ( 0.2075472 -0.0000000 0.2568815), wk = 0.0019685 k( 250) = ( 0.2169811 -0.0000000 0.2568815), wk = 0.0019685 k( 251) = ( 0.2264151 -0.0000000 0.2568815), wk = 0.0019685 k( 252) = ( 0.2358491 -0.0000000 0.2568815), wk = 0.0019685 k( 253) = ( 0.2452830 -0.0000000 0.2568815), wk = 0.0019685 k( 254) = ( 0.2547170 -0.0000000 0.2568815), wk = 0.0019685 k( 255) = ( 0.2641509 -0.0000000 0.2568815), wk = 0.0019685 k( 256) = ( 0.2735849 -0.0000000 0.2568815), wk = 0.0019685 k( 257) = ( 0.2830189 -0.0000000 0.2568815), wk = 0.0019685 k( 258) = ( 0.2924528 -0.0000000 0.2568815), wk = 0.0019685 k( 259) = ( 0.3018868 -0.0000000 0.2568815), wk = 0.0019685 k( 260) = ( 0.3113207 -0.0000000 0.2568815), wk = 0.0019685 k( 261) = ( 0.3207547 -0.0000000 0.2568815), wk = 0.0019685 k( 262) = ( 0.3301887 -0.0000000 0.2568815), wk = 0.0019685 k( 263) = ( 0.3396226 -0.0000000 0.2568815), wk = 0.0019685 k( 264) = ( 0.3490566 -0.0000000 0.2568815), wk = 0.0019685 k( 265) = ( 0.3584906 -0.0000000 0.2568815), wk = 0.0019685 k( 266) = ( 0.3679245 -0.0000000 0.2568815), wk = 0.0019685 k( 267) = ( 0.3773585 -0.0000000 0.2568815), wk = 0.0019685 k( 268) = ( 0.3867925 -0.0000000 0.2568815), wk = 0.0019685 k( 269) = ( 0.3962264 -0.0000000 0.2568815), wk = 0.0019685 k( 270) = ( 0.4056604 -0.0000000 0.2568815), wk = 0.0019685 k( 271) = ( 0.4150943 -0.0000000 0.2568815), wk = 0.0019685 k( 272) = ( 0.4245283 -0.0000000 0.2568815), wk = 0.0019685 k( 273) = ( 0.4339623 -0.0000000 0.2568815), wk = 0.0019685 k( 274) = ( 0.4433962 -0.0000000 0.2568815), wk = 0.0019685 k( 275) = ( 0.4528302 -0.0000000 0.2568815), wk = 0.0019685 k( 276) = ( 0.4622641 -0.0000000 0.2568815), wk = 0.0019685 k( 277) = ( 0.4716981 -0.0000000 0.2568815), wk = 0.0019685 k( 278) = ( 0.4811321 -0.0000000 0.2568815), wk = 0.0019685 k( 279) = ( 0.4905660 -0.0000000 0.2568815), wk = 0.0019685 k( 280) = ( 0.5000000 -0.0000000 0.2568815), wk = 0.0019685 k( 281) = ( 0.5000000 -0.0000000 0.2568815), wk = 0.0019685 k( 282) = ( 0.5000000 0.0095252 0.2568815), wk = 0.0019685 k( 283) = ( 0.5000000 0.0190503 0.2568815), wk = 0.0019685 k( 284) = ( 0.5000000 0.0285755 0.2568815), wk = 0.0019685 k( 285) = ( 0.5000000 0.0381007 0.2568815), wk = 0.0019685 k( 286) = ( 0.5000000 0.0476258 0.2568815), wk = 0.0019685 k( 287) = ( 0.5000000 0.0571510 0.2568815), wk = 0.0019685 k( 288) = ( 0.5000000 0.0666762 0.2568815), wk = 0.0019685 k( 289) = ( 0.5000000 0.0762013 0.2568815), wk = 0.0019685 k( 290) = ( 0.5000000 0.0857265 0.2568815), wk = 0.0019685 k( 291) = ( 0.5000000 0.0952517 0.2568815), wk = 0.0019685 k( 292) = ( 0.5000000 0.1047768 0.2568815), wk = 0.0019685 k( 293) = ( 0.5000000 0.1143020 0.2568815), wk = 0.0019685 k( 294) = ( 0.5000000 0.1238272 0.2568815), wk = 0.0019685 k( 295) = ( 0.5000000 0.1333524 0.2568815), wk = 0.0019685 k( 296) = ( 0.5000000 0.1428775 0.2568815), wk = 0.0019685 k( 297) = ( 0.5000000 0.1524027 0.2568815), wk = 0.0019685 k( 298) = ( 0.5000000 0.1619279 0.2568815), wk = 0.0019685 k( 299) = ( 0.5000000 0.1714530 0.2568815), wk = 0.0019685 k( 300) = ( 0.5000000 0.1809782 0.2568815), wk = 0.0019685 k( 301) = ( 0.5000000 0.1905034 0.2568815), wk = 0.0019685 k( 302) = ( 0.5000000 0.2000285 0.2568815), wk = 0.0019685 k( 303) = ( 0.5000000 0.2095537 0.2568815), wk = 0.0019685 k( 304) = ( 0.5000000 0.2190789 0.2568815), wk = 0.0019685 k( 305) = ( 0.5000000 0.2286040 0.2568815), wk = 0.0019685 k( 306) = ( 0.5000000 0.2381292 0.2568815), wk = 0.0019685 k( 307) = ( 0.5000000 0.2476544 0.2568815), wk = 0.0019685 k( 308) = ( 0.5000000 0.2571795 0.2568815), wk = 0.0019685 k( 309) = ( 0.5000000 0.2667047 0.2568815), wk = 0.0019685 k( 310) = ( 0.5000000 0.2762299 0.2568815), wk = 0.0019685 k( 311) = ( 0.5000000 0.2857550 0.2568815), wk = 0.0019685 k( 312) = ( 0.5000000 0.2952802 0.2568815), wk = 0.0019685 k( 313) = ( 0.5000000 0.3048054 0.2568815), wk = 0.0019685 k( 314) = ( 0.5000000 0.3143305 0.2568815), wk = 0.0019685 k( 315) = ( 0.5000000 0.3238557 0.2568815), wk = 0.0019685 k( 316) = ( 0.5000000 0.3333809 0.2568815), wk = 0.0019685 k( 317) = ( 0.5000000 0.3429060 0.2568815), wk = 0.0019685 k( 318) = ( 0.5000000 0.3524312 0.2568815), wk = 0.0019685 k( 319) = ( 0.5000000 0.3619564 0.2568815), wk = 0.0019685 k( 320) = ( 0.5000000 0.3714816 0.2568815), wk = 0.0019685 k( 321) = ( 0.5000000 0.3810067 0.2568815), wk = 0.0019685 k( 322) = ( 0.5000000 0.3905319 0.2568815), wk = 0.0019685 k( 323) = ( 0.5000000 0.4000571 0.2568815), wk = 0.0019685 k( 324) = ( 0.5000000 0.4095822 0.2568815), wk = 0.0019685 k( 325) = ( 0.5000000 0.4191074 0.2568815), wk = 0.0019685 k( 326) = ( 0.5000000 0.4191074 0.2568815), wk = 0.0019685 k( 327) = ( 0.4905660 0.4191074 0.2568815), wk = 0.0019685 k( 328) = ( 0.4811321 0.4191074 0.2568815), wk = 0.0019685 k( 329) = ( 0.4716981 0.4191074 0.2568815), wk = 0.0019685 k( 330) = ( 0.4622641 0.4191074 0.2568815), wk = 0.0019685 k( 331) = ( 0.4528302 0.4191074 0.2568815), wk = 0.0019685 k( 332) = ( 0.4433962 0.4191074 0.2568815), wk = 0.0019685 k( 333) = ( 0.4339623 0.4191074 0.2568815), wk = 0.0019685 k( 334) = ( 0.4245283 0.4191074 0.2568815), wk = 0.0019685 k( 335) = ( 0.4150943 0.4191074 0.2568815), wk = 0.0019685 k( 336) = ( 0.4056604 0.4191074 0.2568815), wk = 0.0019685 k( 337) = ( 0.3962264 0.4191074 0.2568815), wk = 0.0019685 k( 338) = ( 0.3867925 0.4191074 0.2568815), wk = 0.0019685 k( 339) = ( 0.3773585 0.4191074 0.2568815), wk = 0.0019685 k( 340) = ( 0.3679245 0.4191074 0.2568815), wk = 0.0019685 k( 341) = ( 0.3584906 0.4191074 0.2568815), wk = 0.0019685 k( 342) = ( 0.3490566 0.4191074 0.2568815), wk = 0.0019685 k( 343) = ( 0.3396226 0.4191074 0.2568815), wk = 0.0019685 k( 344) = ( 0.3301887 0.4191074 0.2568815), wk = 0.0019685 k( 345) = ( 0.3207547 0.4191074 0.2568815), wk = 0.0019685 k( 346) = ( 0.3113207 0.4191074 0.2568815), wk = 0.0019685 k( 347) = ( 0.3018868 0.4191074 0.2568815), wk = 0.0019685 k( 348) = ( 0.2924528 0.4191074 0.2568815), wk = 0.0019685 k( 349) = ( 0.2830189 0.4191074 0.2568815), wk = 0.0019685 k( 350) = ( 0.2735849 0.4191074 0.2568815), wk = 0.0019685 k( 351) = ( 0.2641509 0.4191074 0.2568815), wk = 0.0019685 k( 352) = ( 0.2547170 0.4191074 0.2568815), wk = 0.0019685 k( 353) = ( 0.2452830 0.4191074 0.2568815), wk = 0.0019685 k( 354) = ( 0.2358491 0.4191074 0.2568815), wk = 0.0019685 k( 355) = ( 0.2264151 0.4191074 0.2568815), wk = 0.0019685 k( 356) = ( 0.2169811 0.4191074 0.2568815), wk = 0.0019685 k( 357) = ( 0.2075472 0.4191074 0.2568815), wk = 0.0019685 k( 358) = ( 0.1981132 0.4191074 0.2568815), wk = 0.0019685 k( 359) = ( 0.1886792 0.4191074 0.2568815), wk = 0.0019685 k( 360) = ( 0.1792453 0.4191074 0.2568815), wk = 0.0019685 k( 361) = ( 0.1698113 0.4191074 0.2568815), wk = 0.0019685 k( 362) = ( 0.1603774 0.4191074 0.2568815), wk = 0.0019685 k( 363) = ( 0.1509434 0.4191074 0.2568815), wk = 0.0019685 k( 364) = ( 0.1415094 0.4191074 0.2568815), wk = 0.0019685 k( 365) = ( 0.1320755 0.4191074 0.2568815), wk = 0.0019685 k( 366) = ( 0.1226415 0.4191074 0.2568815), wk = 0.0019685 k( 367) = ( 0.1132076 0.4191074 0.2568815), wk = 0.0019685 k( 368) = ( 0.1037736 0.4191074 0.2568815), wk = 0.0019685 k( 369) = ( 0.0943396 0.4191074 0.2568815), wk = 0.0019685 k( 370) = ( 0.0849057 0.4191074 0.2568815), wk = 0.0019685 k( 371) = ( 0.0754717 0.4191074 0.2568815), wk = 0.0019685 k( 372) = ( 0.0660377 0.4191074 0.2568815), wk = 0.0019685 k( 373) = ( 0.0566038 0.4191074 0.2568815), wk = 0.0019685 k( 374) = ( 0.0471698 0.4191074 0.2568815), wk = 0.0019685 k( 375) = ( 0.0377359 0.4191074 0.2568815), wk = 0.0019685 k( 376) = ( 0.0283019 0.4191074 0.2568815), wk = 0.0019685 k( 377) = ( 0.0188679 0.4191074 0.2568815), wk = 0.0019685 k( 378) = ( 0.0094340 0.4191074 0.2568815), wk = 0.0019685 k( 379) = ( 0.0000000 0.4191074 0.2568815), wk = 0.0019685 k( 380) = ( 0.0000000 0.4191074 0.2568815), wk = 0.0019685 k( 381) = ( 0.0000000 0.4095822 0.2568815), wk = 0.0019685 k( 382) = ( 0.0000000 0.4000571 0.2568815), wk = 0.0019685 k( 383) = ( 0.0000000 0.3905319 0.2568815), wk = 0.0019685 k( 384) = ( 0.0000000 0.3810067 0.2568815), wk = 0.0019685 k( 385) = ( 0.0000000 0.3714816 0.2568815), wk = 0.0019685 k( 386) = ( 0.0000000 0.3619564 0.2568815), wk = 0.0019685 k( 387) = ( 0.0000000 0.3524312 0.2568815), wk = 0.0019685 k( 388) = ( 0.0000000 0.3429060 0.2568815), wk = 0.0019685 k( 389) = ( 0.0000000 0.3333809 0.2568815), wk = 0.0019685 k( 390) = ( 0.0000000 0.3238557 0.2568815), wk = 0.0019685 k( 391) = ( 0.0000000 0.3143305 0.2568815), wk = 0.0019685 k( 392) = ( 0.0000000 0.3048054 0.2568815), wk = 0.0019685 k( 393) = ( 0.0000000 0.2952802 0.2568815), wk = 0.0019685 k( 394) = ( 0.0000000 0.2857550 0.2568815), wk = 0.0019685 k( 395) = ( 0.0000000 0.2762299 0.2568815), wk = 0.0019685 k( 396) = ( 0.0000000 0.2667047 0.2568815), wk = 0.0019685 k( 397) = ( 0.0000000 0.2571795 0.2568815), wk = 0.0019685 k( 398) = ( 0.0000000 0.2476544 0.2568815), wk = 0.0019685 k( 399) = ( 0.0000000 0.2381292 0.2568815), wk = 0.0019685 k( 400) = ( 0.0000000 0.2286040 0.2568815), wk = 0.0019685 k( 401) = ( 0.0000000 0.2190789 0.2568815), wk = 0.0019685 k( 402) = ( 0.0000000 0.2095537 0.2568815), wk = 0.0019685 k( 403) = ( 0.0000000 0.2000285 0.2568815), wk = 0.0019685 k( 404) = ( 0.0000000 0.1905034 0.2568815), wk = 0.0019685 k( 405) = ( 0.0000000 0.1809782 0.2568815), wk = 0.0019685 k( 406) = ( 0.0000000 0.1714530 0.2568815), wk = 0.0019685 k( 407) = ( 0.0000000 0.1619279 0.2568815), wk = 0.0019685 k( 408) = ( 0.0000000 0.1524027 0.2568815), wk = 0.0019685 k( 409) = ( 0.0000000 0.1428775 0.2568815), wk = 0.0019685 k( 410) = ( 0.0000000 0.1333524 0.2568815), wk = 0.0019685 k( 411) = ( 0.0000000 0.1238272 0.2568815), wk = 0.0019685 k( 412) = ( 0.0000000 0.1143020 0.2568815), wk = 0.0019685 k( 413) = ( 0.0000000 0.1047768 0.2568815), wk = 0.0019685 k( 414) = ( 0.0000000 0.0952517 0.2568815), wk = 0.0019685 k( 415) = ( 0.0000000 0.0857265 0.2568815), wk = 0.0019685 k( 416) = ( 0.0000000 0.0762013 0.2568815), wk = 0.0019685 k( 417) = ( 0.0000000 0.0666762 0.2568815), wk = 0.0019685 k( 418) = ( 0.0000000 0.0571510 0.2568815), wk = 0.0019685 k( 419) = ( 0.0000000 0.0476258 0.2568815), wk = 0.0019685 k( 420) = ( 0.0000000 0.0381007 0.2568815), wk = 0.0019685 k( 421) = ( 0.0000000 0.0285755 0.2568815), wk = 0.0019685 k( 422) = ( 0.0000000 0.0190503 0.2568815), wk = 0.0019685 k( 423) = ( 0.0000000 0.0095252 0.2568815), wk = 0.0019685 k( 424) = ( 0.0000000 0.0000000 0.2568815), wk = 0.0019685 k( 425) = ( 0.0000000 0.4191074 -0.0000000), wk = 0.0019685 k( 426) = ( 0.0000000 0.4191074 0.0095141), wk = 0.0019685 k( 427) = ( 0.0000000 0.4191074 0.0190283), wk = 0.0019685 k( 428) = ( 0.0000000 0.4191074 0.0285424), wk = 0.0019685 k( 429) = ( 0.0000000 0.4191074 0.0380565), wk = 0.0019685 k( 430) = ( 0.0000000 0.4191074 0.0475707), wk = 0.0019685 k( 431) = ( 0.0000000 0.4191074 0.0570848), wk = 0.0019685 k( 432) = ( 0.0000000 0.4191074 0.0665989), wk = 0.0019685 k( 433) = ( 0.0000000 0.4191074 0.0761130), wk = 0.0019685 k( 434) = ( 0.0000000 0.4191074 0.0856272), wk = 0.0019685 k( 435) = ( 0.0000000 0.4191074 0.0951413), wk = 0.0019685 k( 436) = ( 0.0000000 0.4191074 0.1046554), wk = 0.0019685 k( 437) = ( 0.0000000 0.4191074 0.1141696), wk = 0.0019685 k( 438) = ( 0.0000000 0.4191074 0.1236837), wk = 0.0019685 k( 439) = ( 0.0000000 0.4191074 0.1331978), wk = 0.0019685 k( 440) = ( 0.0000000 0.4191074 0.1427120), wk = 0.0019685 k( 441) = ( 0.0000000 0.4191074 0.1522261), wk = 0.0019685 k( 442) = ( 0.0000000 0.4191074 0.1617402), wk = 0.0019685 k( 443) = ( 0.0000000 0.4191074 0.1712543), wk = 0.0019685 k( 444) = ( 0.0000000 0.4191074 0.1807685), wk = 0.0019685 k( 445) = ( 0.0000000 0.4191074 0.1902826), wk = 0.0019685 k( 446) = ( 0.0000000 0.4191074 0.1997967), wk = 0.0019685 k( 447) = ( 0.0000000 0.4191074 0.2093109), wk = 0.0019685 k( 448) = ( 0.0000000 0.4191074 0.2188250), wk = 0.0019685 k( 449) = ( 0.0000000 0.4191074 0.2283391), wk = 0.0019685 k( 450) = ( 0.0000000 0.4191074 0.2378533), wk = 0.0019685 k( 451) = ( 0.0000000 0.4191074 0.2473674), wk = 0.0019685 k( 452) = ( 0.0000000 0.4191074 0.2568815), wk = 0.0019685 k( 453) = ( 0.5000000 -0.0000000 0.2568815), wk = 0.0019685 k( 454) = ( 0.5000000 -0.0000000 0.2473674), wk = 0.0019685 k( 455) = ( 0.5000000 -0.0000000 0.2378533), wk = 0.0019685 k( 456) = ( 0.5000000 -0.0000000 0.2283391), wk = 0.0019685 k( 457) = ( 0.5000000 -0.0000000 0.2188250), wk = 0.0019685 k( 458) = ( 0.5000000 -0.0000000 0.2093109), wk = 0.0019685 k( 459) = ( 0.5000000 -0.0000000 0.1997967), wk = 0.0019685 k( 460) = ( 0.5000000 -0.0000000 0.1902826), wk = 0.0019685 k( 461) = ( 0.5000000 -0.0000000 0.1807685), wk = 0.0019685 k( 462) = ( 0.5000000 -0.0000000 0.1712543), wk = 0.0019685 k( 463) = ( 0.5000000 -0.0000000 0.1617402), wk = 0.0019685 k( 464) = ( 0.5000000 -0.0000000 0.1522261), wk = 0.0019685 k( 465) = ( 0.5000000 -0.0000000 0.1427120), wk = 0.0019685 k( 466) = ( 0.5000000 -0.0000000 0.1331978), wk = 0.0019685 k( 467) = ( 0.5000000 -0.0000000 0.1236837), wk = 0.0019685 k( 468) = ( 0.5000000 -0.0000000 0.1141696), wk = 0.0019685 k( 469) = ( 0.5000000 -0.0000000 0.1046554), wk = 0.0019685 k( 470) = ( 0.5000000 -0.0000000 0.0951413), wk = 0.0019685 k( 471) = ( 0.5000000 -0.0000000 0.0856272), wk = 0.0019685 k( 472) = ( 0.5000000 -0.0000000 0.0761130), wk = 0.0019685 k( 473) = ( 0.5000000 -0.0000000 0.0665989), wk = 0.0019685 k( 474) = ( 0.5000000 -0.0000000 0.0570848), wk = 0.0019685 k( 475) = ( 0.5000000 -0.0000000 0.0475707), wk = 0.0019685 k( 476) = ( 0.5000000 -0.0000000 0.0380565), wk = 0.0019685 k( 477) = ( 0.5000000 -0.0000000 0.0285424), wk = 0.0019685 k( 478) = ( 0.5000000 -0.0000000 0.0190283), wk = 0.0019685 k( 479) = ( 0.5000000 -0.0000000 0.0095141), wk = 0.0019685 k( 480) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0019685 k( 481) = ( 0.5000000 0.4191074 -0.0000000), wk = 0.0019685 k( 482) = ( 0.5000000 0.4191074 0.0095141), wk = 0.0019685 k( 483) = ( 0.5000000 0.4191074 0.0190283), wk = 0.0019685 k( 484) = ( 0.5000000 0.4191074 0.0285424), wk = 0.0019685 k( 485) = ( 0.5000000 0.4191074 0.0380565), wk = 0.0019685 k( 486) = ( 0.5000000 0.4191074 0.0475707), wk = 0.0019685 k( 487) = ( 0.5000000 0.4191074 0.0570848), wk = 0.0019685 k( 488) = ( 0.5000000 0.4191074 0.0665989), wk = 0.0019685 k( 489) = ( 0.5000000 0.4191074 0.0761130), wk = 0.0019685 k( 490) = ( 0.5000000 0.4191074 0.0856272), wk = 0.0019685 k( 491) = ( 0.5000000 0.4191074 0.0951413), wk = 0.0019685 k( 492) = ( 0.5000000 0.4191074 0.1046554), wk = 0.0019685 k( 493) = ( 0.5000000 0.4191074 0.1141696), wk = 0.0019685 k( 494) = ( 0.5000000 0.4191074 0.1236837), wk = 0.0019685 k( 495) = ( 0.5000000 0.4191074 0.1331978), wk = 0.0019685 k( 496) = ( 0.5000000 0.4191074 0.1427120), wk = 0.0019685 k( 497) = ( 0.5000000 0.4191074 0.1522261), wk = 0.0019685 k( 498) = ( 0.5000000 0.4191074 0.1617402), wk = 0.0019685 k( 499) = ( 0.5000000 0.4191074 0.1712543), wk = 0.0019685 k( 500) = ( 0.5000000 0.4191074 0.1807685), wk = 0.0019685 k( 501) = ( 0.5000000 0.4191074 0.1902826), wk = 0.0019685 k( 502) = ( 0.5000000 0.4191074 0.1997967), wk = 0.0019685 k( 503) = ( 0.5000000 0.4191074 0.2093109), wk = 0.0019685 k( 504) = ( 0.5000000 0.4191074 0.2188250), wk = 0.0019685 k( 505) = ( 0.5000000 0.4191074 0.2283391), wk = 0.0019685 k( 506) = ( 0.5000000 0.4191074 0.2378533), wk = 0.0019685 k( 507) = ( 0.5000000 0.4191074 0.2473674), wk = 0.0019685 k( 508) = ( 0.5000000 0.4191074 0.2568815), wk = 0.0019685 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 2) = ( 0.0094340 0.0000000 0.0000000), wk = 0.0019685 k( 3) = ( 0.0188679 0.0000000 0.0000000), wk = 0.0019685 k( 4) = ( 0.0283019 0.0000000 0.0000000), wk = 0.0019685 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0019685 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0019685 k( 7) = ( 0.0566038 0.0000000 -0.0000000), wk = 0.0019685 k( 8) = ( 0.0660377 0.0000000 -0.0000000), wk = 0.0019685 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0019685 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0019685 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0019685 k( 12) = ( 0.1037736 0.0000000 -0.0000000), wk = 0.0019685 k( 13) = ( 0.1132076 0.0000000 -0.0000000), wk = 0.0019685 k( 14) = ( 0.1226415 0.0000000 -0.0000000), wk = 0.0019685 k( 15) = ( 0.1320755 0.0000000 -0.0000000), wk = 0.0019685 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0019685 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0019685 k( 18) = ( 0.1603774 0.0000000 -0.0000000), wk = 0.0019685 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0019685 k( 20) = ( 0.1792453 0.0000000 -0.0000000), wk = 0.0019685 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0019685 k( 22) = ( 0.1981132 0.0000000 -0.0000000), wk = 0.0019685 k( 23) = ( 0.2075472 0.0000000 -0.0000000), wk = 0.0019685 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0019685 k( 25) = ( 0.2264151 0.0000000 -0.0000000), wk = 0.0019685 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0019685 k( 27) = ( 0.2452830 0.0000000 -0.0000000), wk = 0.0019685 k( 28) = ( 0.2547170 0.0000000 -0.0000000), wk = 0.0019685 k( 29) = ( 0.2641509 0.0000000 -0.0000000), wk = 0.0019685 k( 30) = ( 0.2735849 0.0000000 -0.0000000), wk = 0.0019685 k( 31) = ( 0.2830189 0.0000000 -0.0000000), wk = 0.0019685 k( 32) = ( 0.2924528 -0.0000000 -0.0000000), wk = 0.0019685 k( 33) = ( 0.3018868 0.0000000 -0.0000000), wk = 0.0019685 k( 34) = ( 0.3113207 -0.0000000 -0.0000000), wk = 0.0019685 k( 35) = ( 0.3207547 0.0000000 -0.0000000), wk = 0.0019685 k( 36) = ( 0.3301887 0.0000000 -0.0000000), wk = 0.0019685 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0019685 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0019685 k( 39) = ( 0.3584906 0.0000000 0.0000000), wk = 0.0019685 k( 40) = ( 0.3679245 0.0000000 0.0000000), wk = 0.0019685 k( 41) = ( 0.3773585 0.0000000 -0.0000000), wk = 0.0019685 k( 42) = ( 0.3867925 0.0000000 -0.0000000), wk = 0.0019685 k( 43) = ( 0.3962264 0.0000000 -0.0000000), wk = 0.0019685 k( 44) = ( 0.4056604 -0.0000000 -0.0000000), wk = 0.0019685 k( 45) = ( 0.4150943 0.0000000 -0.0000000), wk = 0.0019685 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0019685 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0019685 k( 48) = ( 0.4433962 0.0000000 -0.0000000), wk = 0.0019685 k( 49) = ( 0.4528302 0.0000000 -0.0000000), wk = 0.0019685 k( 50) = ( 0.4622641 0.0000000 -0.0000000), wk = 0.0019685 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0019685 k( 52) = ( 0.4811321 0.0000000 -0.0000000), wk = 0.0019685 k( 53) = ( 0.4905660 0.0000000 -0.0000000), wk = 0.0019685 k( 54) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019685 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019685 k( 56) = ( 0.5000000 0.0113636 0.0000000), wk = 0.0019685 k( 57) = ( 0.5000000 0.0227273 -0.0000000), wk = 0.0019685 k( 58) = ( 0.5000000 0.0340909 -0.0000000), wk = 0.0019685 k( 59) = ( 0.5000000 0.0454546 -0.0000000), wk = 0.0019685 k( 60) = ( 0.5000000 0.0568182 -0.0000000), wk = 0.0019685 k( 61) = ( 0.5000000 0.0681818 0.0000000), wk = 0.0019685 k( 62) = ( 0.5000000 0.0795454 -0.0000000), wk = 0.0019685 k( 63) = ( 0.5000000 0.0909091 -0.0000000), wk = 0.0019685 k( 64) = ( 0.5000000 0.1022727 0.0000000), wk = 0.0019685 k( 65) = ( 0.5000000 0.1136364 -0.0000000), wk = 0.0019685 k( 66) = ( 0.5000000 0.1250000 -0.0000000), wk = 0.0019685 k( 67) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0019685 k( 68) = ( 0.5000000 0.1477273 0.0000000), wk = 0.0019685 k( 69) = ( 0.5000000 0.1590909 -0.0000000), wk = 0.0019685 k( 70) = ( 0.5000000 0.1704545 -0.0000000), wk = 0.0019685 k( 71) = ( 0.5000000 0.1818182 -0.0000000), wk = 0.0019685 k( 72) = ( 0.5000000 0.1931818 -0.0000000), wk = 0.0019685 k( 73) = ( 0.5000000 0.2045454 -0.0000000), wk = 0.0019685 k( 74) = ( 0.5000000 0.2159091 0.0000000), wk = 0.0019685 k( 75) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0019685 k( 76) = ( 0.5000000 0.2386364 -0.0000000), wk = 0.0019685 k( 77) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0019685 k( 78) = ( 0.5000000 0.2613636 -0.0000000), wk = 0.0019685 k( 79) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0019685 k( 80) = ( 0.5000000 0.2840909 -0.0000000), wk = 0.0019685 k( 81) = ( 0.5000000 0.2954545 -0.0000000), wk = 0.0019685 k( 82) = ( 0.5000000 0.3068182 0.0000000), wk = 0.0019685 k( 83) = ( 0.5000000 0.3181818 -0.0000000), wk = 0.0019685 k( 84) = ( 0.5000000 0.3295454 -0.0000000), wk = 0.0019685 k( 85) = ( 0.5000000 0.3409091 0.0000000), wk = 0.0019685 k( 86) = ( 0.5000000 0.3522727 -0.0000000), wk = 0.0019685 k( 87) = ( 0.5000000 0.3636364 -0.0000000), wk = 0.0019685 k( 88) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0019685 k( 89) = ( 0.5000000 0.3863636 -0.0000000), wk = 0.0019685 k( 90) = ( 0.5000000 0.3977273 -0.0000000), wk = 0.0019685 k( 91) = ( 0.5000000 0.4090909 0.0000000), wk = 0.0019685 k( 92) = ( 0.5000000 0.4204545 -0.0000000), wk = 0.0019685 k( 93) = ( 0.5000000 0.4318182 0.0000000), wk = 0.0019685 k( 94) = ( 0.5000000 0.4431818 -0.0000000), wk = 0.0019685 k( 95) = ( 0.5000000 0.4545454 -0.0000000), wk = 0.0019685 k( 96) = ( 0.5000000 0.4659091 -0.0000000), wk = 0.0019685 k( 97) = ( 0.5000000 0.4772727 -0.0000000), wk = 0.0019685 k( 98) = ( 0.5000000 0.4886364 0.0000000), wk = 0.0019685 k( 99) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019685 k( 100) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019685 k( 101) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0019685 k( 102) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0019685 k( 103) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0019685 k( 104) = ( 0.4622641 0.5000000 0.0000000), wk = 0.0019685 k( 105) = ( 0.4528302 0.5000000 0.0000000), wk = 0.0019685 k( 106) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0019685 k( 107) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0019685 k( 108) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0019685 k( 109) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0019685 k( 110) = ( 0.4056604 0.5000000 0.0000000), wk = 0.0019685 k( 111) = ( 0.3962264 0.5000000 0.0000000), wk = 0.0019685 k( 112) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0019685 k( 113) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0019685 k( 114) = ( 0.3679245 0.5000000 0.0000000), wk = 0.0019685 k( 115) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0019685 k( 116) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0019685 k( 117) = ( 0.3396226 0.5000000 0.0000000), wk = 0.0019685 k( 118) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0019685 k( 119) = ( 0.3207547 0.5000000 0.0000000), wk = 0.0019685 k( 120) = ( 0.3113207 0.5000000 0.0000000), wk = 0.0019685 k( 121) = ( 0.3018868 0.5000000 0.0000000), wk = 0.0019685 k( 122) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0019685 k( 123) = ( 0.2830189 0.5000000 0.0000000), wk = 0.0019685 k( 124) = ( 0.2735849 0.5000000 0.0000000), wk = 0.0019685 k( 125) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0019685 k( 126) = ( 0.2547170 0.5000000 0.0000000), wk = 0.0019685 k( 127) = ( 0.2452830 0.5000000 0.0000000), wk = 0.0019685 k( 128) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0019685 k( 129) = ( 0.2264151 0.5000000 0.0000000), wk = 0.0019685 k( 130) = ( 0.2169811 0.5000000 0.0000000), wk = 0.0019685 k( 131) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0019685 k( 132) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0019685 k( 133) = ( 0.1886792 0.5000000 0.0000000), wk = 0.0019685 k( 134) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0019685 k( 135) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0019685 k( 136) = ( 0.1603774 0.5000000 0.0000000), wk = 0.0019685 k( 137) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0019685 k( 138) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0019685 k( 139) = ( 0.1320755 0.5000000 0.0000000), wk = 0.0019685 k( 140) = ( 0.1226415 0.5000000 0.0000000), wk = 0.0019685 k( 141) = ( 0.1132076 0.5000000 0.0000000), wk = 0.0019685 k( 142) = ( 0.1037736 0.5000000 0.0000000), wk = 0.0019685 k( 143) = ( 0.0943396 0.5000000 0.0000000), wk = 0.0019685 k( 144) = ( 0.0849057 0.5000000 0.0000000), wk = 0.0019685 k( 145) = ( 0.0754717 0.5000000 0.0000000), wk = 0.0019685 k( 146) = ( 0.0660377 0.5000000 0.0000000), wk = 0.0019685 k( 147) = ( 0.0566038 0.5000000 0.0000000), wk = 0.0019685 k( 148) = ( 0.0471698 0.5000000 0.0000000), wk = 0.0019685 k( 149) = ( 0.0377359 0.5000000 0.0000000), wk = 0.0019685 k( 150) = ( 0.0283019 0.5000000 0.0000000), wk = 0.0019685 k( 151) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0019685 k( 152) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0019685 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019685 k( 154) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019685 k( 155) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0019685 k( 156) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0019685 k( 157) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0019685 k( 158) = ( 0.0000000 0.4545454 -0.0000000), wk = 0.0019685 k( 159) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0019685 k( 160) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0019685 k( 161) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0019685 k( 162) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0019685 k( 163) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0019685 k( 164) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0019685 k( 165) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0019685 k( 166) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0019685 k( 167) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0019685 k( 168) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0019685 k( 169) = ( 0.0000000 0.3295454 0.0000000), wk = 0.0019685 k( 170) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0019685 k( 171) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0019685 k( 172) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0019685 k( 173) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0019685 k( 174) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0019685 k( 175) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0019685 k( 176) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0019685 k( 177) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0019685 k( 178) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0019685 k( 179) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0019685 k( 180) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0019685 k( 181) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0019685 k( 182) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0019685 k( 183) = ( 0.0000000 0.1704545 -0.0000000), wk = 0.0019685 k( 184) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0019685 k( 185) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0019685 k( 186) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0019685 k( 187) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0019685 k( 188) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0019685 k( 189) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0019685 k( 190) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0019685 k( 191) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0019685 k( 192) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0019685 k( 193) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0019685 k( 194) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0019685 k( 195) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0019685 k( 196) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0019685 k( 197) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0019685 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019685 k( 200) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0019685 k( 201) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0019685 k( 202) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0019685 k( 203) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0019685 k( 204) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0019685 k( 205) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0019685 k( 206) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0019685 k( 207) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0019685 k( 208) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0019685 k( 209) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0019685 k( 210) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0019685 k( 211) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0019685 k( 212) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0019685 k( 213) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0019685 k( 214) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0019685 k( 215) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0019685 k( 216) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0019685 k( 217) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0019685 k( 218) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0019685 k( 219) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0019685 k( 220) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0019685 k( 221) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0019685 k( 222) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0019685 k( 223) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0019685 k( 224) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0019685 k( 225) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0019685 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019685 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019685 k( 228) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0019685 k( 229) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0019685 k( 230) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0019685 k( 231) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0019685 k( 232) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0019685 k( 233) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0019685 k( 234) = ( 0.0660377 0.0000000 0.5000000), wk = 0.0019685 k( 235) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0019685 k( 236) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0019685 k( 237) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0019685 k( 238) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0019685 k( 239) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0019685 k( 240) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0019685 k( 241) = ( 0.1320755 0.0000000 0.5000000), wk = 0.0019685 k( 242) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0019685 k( 243) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0019685 k( 244) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0019685 k( 245) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0019685 k( 246) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0019685 k( 247) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0019685 k( 248) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0019685 k( 249) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0019685 k( 250) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0019685 k( 251) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0019685 k( 252) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0019685 k( 253) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0019685 k( 254) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0019685 k( 255) = ( 0.2641509 0.0000000 0.5000000), wk = 0.0019685 k( 256) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0019685 k( 257) = ( 0.2830189 0.0000000 0.5000000), wk = 0.0019685 k( 258) = ( 0.2924528 -0.0000000 0.5000000), wk = 0.0019685 k( 259) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0019685 k( 260) = ( 0.3113207 -0.0000000 0.5000000), wk = 0.0019685 k( 261) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0019685 k( 262) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0019685 k( 263) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0019685 k( 264) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0019685 k( 265) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0019685 k( 266) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0019685 k( 267) = ( 0.3773585 0.0000000 0.5000000), wk = 0.0019685 k( 268) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0019685 k( 269) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0019685 k( 270) = ( 0.4056604 -0.0000000 0.5000000), wk = 0.0019685 k( 271) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0019685 k( 272) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0019685 k( 273) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0019685 k( 274) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0019685 k( 275) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0019685 k( 276) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0019685 k( 277) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0019685 k( 278) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0019685 k( 279) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0019685 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019685 k( 281) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019685 k( 282) = ( 0.5000000 0.0113636 0.5000000), wk = 0.0019685 k( 283) = ( 0.5000000 0.0227273 0.5000000), wk = 0.0019685 k( 284) = ( 0.5000000 0.0340909 0.5000000), wk = 0.0019685 k( 285) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0019685 k( 286) = ( 0.5000000 0.0568182 0.5000000), wk = 0.0019685 k( 287) = ( 0.5000000 0.0681818 0.5000000), wk = 0.0019685 k( 288) = ( 0.5000000 0.0795454 0.5000000), wk = 0.0019685 k( 289) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0019685 k( 290) = ( 0.5000000 0.1022727 0.5000000), wk = 0.0019685 k( 291) = ( 0.5000000 0.1136364 0.5000000), wk = 0.0019685 k( 292) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0019685 k( 293) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0019685 k( 294) = ( 0.5000000 0.1477273 0.5000000), wk = 0.0019685 k( 295) = ( 0.5000000 0.1590909 0.5000000), wk = 0.0019685 k( 296) = ( 0.5000000 0.1704545 0.5000000), wk = 0.0019685 k( 297) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0019685 k( 298) = ( 0.5000000 0.1931818 0.5000000), wk = 0.0019685 k( 299) = ( 0.5000000 0.2045454 0.5000000), wk = 0.0019685 k( 300) = ( 0.5000000 0.2159091 0.5000000), wk = 0.0019685 k( 301) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0019685 k( 302) = ( 0.5000000 0.2386364 0.5000000), wk = 0.0019685 k( 303) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0019685 k( 304) = ( 0.5000000 0.2613636 0.5000000), wk = 0.0019685 k( 305) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0019685 k( 306) = ( 0.5000000 0.2840909 0.5000000), wk = 0.0019685 k( 307) = ( 0.5000000 0.2954545 0.5000000), wk = 0.0019685 k( 308) = ( 0.5000000 0.3068182 0.5000000), wk = 0.0019685 k( 309) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0019685 k( 310) = ( 0.5000000 0.3295454 0.5000000), wk = 0.0019685 k( 311) = ( 0.5000000 0.3409091 0.5000000), wk = 0.0019685 k( 312) = ( 0.5000000 0.3522727 0.5000000), wk = 0.0019685 k( 313) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0019685 k( 314) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0019685 k( 315) = ( 0.5000000 0.3863636 0.5000000), wk = 0.0019685 k( 316) = ( 0.5000000 0.3977273 0.5000000), wk = 0.0019685 k( 317) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0019685 k( 318) = ( 0.5000000 0.4204545 0.5000000), wk = 0.0019685 k( 319) = ( 0.5000000 0.4318182 0.5000000), wk = 0.0019685 k( 320) = ( 0.5000000 0.4431818 0.5000000), wk = 0.0019685 k( 321) = ( 0.5000000 0.4545454 0.5000000), wk = 0.0019685 k( 322) = ( 0.5000000 0.4659091 0.5000000), wk = 0.0019685 k( 323) = ( 0.5000000 0.4772727 0.5000000), wk = 0.0019685 k( 324) = ( 0.5000000 0.4886364 0.5000000), wk = 0.0019685 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019685 k( 326) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019685 k( 327) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0019685 k( 328) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0019685 k( 329) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0019685 k( 330) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0019685 k( 331) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0019685 k( 332) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0019685 k( 333) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0019685 k( 334) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0019685 k( 335) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0019685 k( 336) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0019685 k( 337) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0019685 k( 338) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0019685 k( 339) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0019685 k( 340) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0019685 k( 341) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0019685 k( 342) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0019685 k( 343) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0019685 k( 344) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0019685 k( 345) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0019685 k( 346) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0019685 k( 347) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0019685 k( 348) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0019685 k( 349) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0019685 k( 350) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0019685 k( 351) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0019685 k( 352) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0019685 k( 353) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0019685 k( 354) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0019685 k( 355) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0019685 k( 356) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0019685 k( 357) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0019685 k( 358) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0019685 k( 359) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0019685 k( 360) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0019685 k( 361) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0019685 k( 362) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0019685 k( 363) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0019685 k( 364) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0019685 k( 365) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0019685 k( 366) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0019685 k( 367) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0019685 k( 368) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0019685 k( 369) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0019685 k( 370) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0019685 k( 371) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0019685 k( 372) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0019685 k( 373) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0019685 k( 374) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0019685 k( 375) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0019685 k( 376) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0019685 k( 377) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0019685 k( 378) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0019685 k( 379) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019685 k( 380) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019685 k( 381) = ( 0.0000000 0.4886364 0.5000000), wk = 0.0019685 k( 382) = ( 0.0000000 0.4772727 0.5000000), wk = 0.0019685 k( 383) = ( 0.0000000 0.4659091 0.5000000), wk = 0.0019685 k( 384) = ( 0.0000000 0.4545454 0.5000000), wk = 0.0019685 k( 385) = ( 0.0000000 0.4431818 0.5000000), wk = 0.0019685 k( 386) = ( 0.0000000 0.4318182 0.5000000), wk = 0.0019685 k( 387) = ( 0.0000000 0.4204545 0.5000000), wk = 0.0019685 k( 388) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0019685 k( 389) = ( 0.0000000 0.3977273 0.5000000), wk = 0.0019685 k( 390) = ( 0.0000000 0.3863636 0.5000000), wk = 0.0019685 k( 391) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0019685 k( 392) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0019685 k( 393) = ( 0.0000000 0.3522727 0.5000000), wk = 0.0019685 k( 394) = ( 0.0000000 0.3409091 0.5000000), wk = 0.0019685 k( 395) = ( 0.0000000 0.3295454 0.5000000), wk = 0.0019685 k( 396) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0019685 k( 397) = ( 0.0000000 0.3068182 0.5000000), wk = 0.0019685 k( 398) = ( 0.0000000 0.2954545 0.5000000), wk = 0.0019685 k( 399) = ( 0.0000000 0.2840909 0.5000000), wk = 0.0019685 k( 400) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0019685 k( 401) = ( 0.0000000 0.2613636 0.5000000), wk = 0.0019685 k( 402) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0019685 k( 403) = ( 0.0000000 0.2386364 0.5000000), wk = 0.0019685 k( 404) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0019685 k( 405) = ( 0.0000000 0.2159091 0.5000000), wk = 0.0019685 k( 406) = ( 0.0000000 0.2045454 0.5000000), wk = 0.0019685 k( 407) = ( 0.0000000 0.1931818 0.5000000), wk = 0.0019685 k( 408) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0019685 k( 409) = ( 0.0000000 0.1704545 0.5000000), wk = 0.0019685 k( 410) = ( 0.0000000 0.1590909 0.5000000), wk = 0.0019685 k( 411) = ( 0.0000000 0.1477273 0.5000000), wk = 0.0019685 k( 412) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0019685 k( 413) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0019685 k( 414) = ( 0.0000000 0.1136364 0.5000000), wk = 0.0019685 k( 415) = ( 0.0000000 0.1022727 0.5000000), wk = 0.0019685 k( 416) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0019685 k( 417) = ( 0.0000000 0.0795455 0.5000000), wk = 0.0019685 k( 418) = ( 0.0000000 0.0681818 0.5000000), wk = 0.0019685 k( 419) = ( 0.0000000 0.0568182 0.5000000), wk = 0.0019685 k( 420) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0019685 k( 421) = ( 0.0000000 0.0340909 0.5000000), wk = 0.0019685 k( 422) = ( 0.0000000 0.0227273 0.5000000), wk = 0.0019685 k( 423) = ( 0.0000000 0.0113636 0.5000000), wk = 0.0019685 k( 424) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019685 k( 425) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019685 k( 426) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0019685 k( 427) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0019685 k( 428) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0019685 k( 429) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0019685 k( 430) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0019685 k( 431) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0019685 k( 432) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0019685 k( 433) = ( 0.0000000 0.5000000 0.1481481), wk = 0.0019685 k( 434) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0019685 k( 435) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0019685 k( 436) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0019685 k( 437) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0019685 k( 438) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0019685 k( 439) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0019685 k( 440) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0019685 k( 441) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0019685 k( 442) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0019685 k( 443) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0019685 k( 444) = ( 0.0000000 0.5000000 0.3518518), wk = 0.0019685 k( 445) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0019685 k( 446) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0019685 k( 447) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0019685 k( 448) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0019685 k( 449) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0019685 k( 450) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0019685 k( 451) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0019685 k( 452) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019685 k( 453) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019685 k( 454) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0019685 k( 455) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0019685 k( 456) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0019685 k( 457) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0019685 k( 458) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0019685 k( 459) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0019685 k( 460) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0019685 k( 461) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0019685 k( 462) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0019685 k( 463) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0019685 k( 464) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0019685 k( 465) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0019685 k( 466) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0019685 k( 467) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0019685 k( 468) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0019685 k( 469) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0019685 k( 470) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0019685 k( 471) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0019685 k( 472) = ( 0.5000000 0.0000000 0.1481481), wk = 0.0019685 k( 473) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0019685 k( 474) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0019685 k( 475) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0019685 k( 476) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0019685 k( 477) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0019685 k( 478) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0019685 k( 479) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0019685 k( 480) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019685 k( 481) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019685 k( 482) = ( 0.5000000 0.5000000 0.0185185), wk = 0.0019685 k( 483) = ( 0.5000000 0.5000000 0.0370370), wk = 0.0019685 k( 484) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0019685 k( 485) = ( 0.5000000 0.5000000 0.0740741), wk = 0.0019685 k( 486) = ( 0.5000000 0.5000000 0.0925926), wk = 0.0019685 k( 487) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0019685 k( 488) = ( 0.5000000 0.5000000 0.1296296), wk = 0.0019685 k( 489) = ( 0.5000000 0.5000000 0.1481481), wk = 0.0019685 k( 490) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0019685 k( 491) = ( 0.5000000 0.5000000 0.1851852), wk = 0.0019685 k( 492) = ( 0.5000000 0.5000000 0.2037037), wk = 0.0019685 k( 493) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0019685 k( 494) = ( 0.5000000 0.5000000 0.2407407), wk = 0.0019685 k( 495) = ( 0.5000000 0.5000000 0.2592593), wk = 0.0019685 k( 496) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0019685 k( 497) = ( 0.5000000 0.5000000 0.2962963), wk = 0.0019685 k( 498) = ( 0.5000000 0.5000000 0.3148148), wk = 0.0019685 k( 499) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0019685 k( 500) = ( 0.5000000 0.5000000 0.3518518), wk = 0.0019685 k( 501) = ( 0.5000000 0.5000000 0.3703704), wk = 0.0019685 k( 502) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0019685 k( 503) = ( 0.5000000 0.5000000 0.4074074), wk = 0.0019685 k( 504) = ( 0.5000000 0.5000000 0.4259259), wk = 0.0019685 k( 505) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0019685 k( 506) = ( 0.5000000 0.5000000 0.4629630), wk = 0.0019685 k( 507) = ( 0.5000000 0.5000000 0.4814815), wk = 0.0019685 k( 508) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019685 Dense grid: 62677 G-vectors FFT dimensions: ( 40, 45, 75) Smooth grid: 18497 G-vectors FFT dimensions: ( 25, 30, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 140, 40) NL pseudopotentials 0.10 Mb ( 70, 96) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.01 Mb ( 1741) G-vector shells 0.01 Mb ( 835) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 140, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./KAuO2.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 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 5.6 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 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.1 secs Computing kpt #: 29 total cpu time spent up to now is 12.4 secs Computing kpt #: 30 total cpu time spent up to now is 12.8 secs Computing kpt #: 31 total cpu time spent up to now is 13.1 secs Computing kpt #: 32 total cpu time spent up to now is 13.4 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.0 secs Computing kpt #: 35 total cpu time spent up to now is 14.3 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 14.9 secs Computing kpt #: 38 total cpu time spent up to now is 15.3 secs Computing kpt #: 39 total cpu time spent up to now is 15.6 secs Computing kpt #: 40 total cpu time spent up to now is 16.0 secs Computing kpt #: 41 total cpu time spent up to now is 16.3 secs Computing kpt #: 42 total cpu time spent up to now is 16.6 secs Computing kpt #: 43 total cpu time spent up to now is 16.9 secs Computing kpt #: 44 total cpu time spent up to now is 17.3 secs Computing kpt #: 45 total cpu time spent up to now is 17.6 secs Computing kpt #: 46 total cpu time spent up to now is 18.0 secs Computing kpt #: 47 total cpu time spent up to now is 18.4 secs Computing kpt #: 48 total cpu time spent up to now is 18.7 secs Computing kpt #: 49 total cpu time spent up to now is 19.0 secs Computing kpt #: 50 total cpu time spent up to now is 19.3 secs Computing kpt #: 51 total cpu time spent up to now is 19.7 secs Computing kpt #: 52 total cpu time spent up to now is 20.1 secs Computing kpt #: 53 total cpu time spent up to now is 20.4 secs Computing kpt #: 54 total cpu time spent up to now is 20.8 secs Computing kpt #: 55 total cpu time spent up to now is 21.2 secs Computing kpt #: 56 total cpu time spent up to now is 21.6 secs Computing kpt #: 57 total cpu time spent up to now is 22.0 secs Computing kpt #: 58 total cpu time spent up to now is 22.3 secs Computing kpt #: 59 total cpu time spent up to now is 22.7 secs Computing kpt #: 60 total cpu time spent up to now is 23.2 secs Computing kpt #: 61 total cpu time spent up to now is 23.6 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.4 secs Computing kpt #: 64 total cpu time spent up to now is 24.8 secs Computing kpt #: 65 total cpu time spent up to now is 25.1 secs Computing kpt #: 66 total cpu time spent up to now is 25.6 secs Computing kpt #: 67 total cpu time spent up to now is 26.0 secs Computing kpt #: 68 total cpu time spent up to now is 26.3 secs Computing kpt #: 69 total cpu time spent up to now is 26.7 secs Computing kpt #: 70 total cpu time spent up to now is 27.1 secs Computing kpt #: 71 total cpu time spent up to now is 27.5 secs Computing kpt #: 72 total cpu time spent up to now is 27.9 secs Computing kpt #: 73 total cpu time spent up to now is 28.5 secs Computing kpt #: 74 total cpu time spent up to now is 29.0 secs Computing kpt #: 75 total cpu time spent up to now is 29.6 secs Computing kpt #: 76 total cpu time spent up to now is 29.9 secs Computing kpt #: 77 total cpu time spent up to now is 30.3 secs Computing kpt #: 78 total cpu time spent up to now is 30.7 secs Computing kpt #: 79 total cpu time spent up to now is 31.1 secs Computing kpt #: 80 total cpu time spent up to now is 31.4 secs Computing kpt #: 81 total cpu time spent up to now is 31.7 secs Computing kpt #: 82 total cpu time spent up to now is 32.0 secs Computing kpt #: 83 total cpu time spent up to now is 32.3 secs Computing kpt #: 84 total cpu time spent up to now is 32.6 secs Computing kpt #: 85 total cpu time spent up to now is 32.9 secs Computing kpt #: 86 total cpu time spent up to now is 33.2 secs Computing kpt #: 87 total cpu time spent up to now is 33.5 secs Computing kpt #: 88 total cpu time spent up to now is 33.8 secs Computing kpt #: 89 total cpu time spent up to now is 34.1 secs Computing kpt #: 90 total cpu time spent up to now is 34.4 secs Computing kpt #: 91 total cpu time spent up to now is 34.7 secs Computing kpt #: 92 total cpu time spent up to now is 35.0 secs Computing kpt #: 93 total cpu time spent up to now is 35.3 secs Computing kpt #: 94 total cpu time spent up to now is 35.6 secs Computing kpt #: 95 total cpu time spent up to now is 35.9 secs Computing kpt #: 96 total cpu time spent up to now is 36.2 secs Computing kpt #: 97 total cpu time spent up to now is 36.5 secs Computing kpt #: 98 total cpu time spent up to now is 36.8 secs Computing kpt #: 99 total cpu time spent up to now is 37.1 secs Computing kpt #: 100 total cpu time spent up to now is 37.4 secs Computing kpt #: 101 total cpu time spent up to now is 37.7 secs Computing kpt #: 102 total cpu time spent up to now is 38.0 secs Computing kpt #: 103 total cpu time spent up to now is 38.3 secs Computing kpt #: 104 total cpu time spent up to now is 38.6 secs Computing kpt #: 105 total cpu time spent up to now is 38.9 secs Computing kpt #: 106 total cpu time spent up to now is 39.2 secs Computing kpt #: 107 total cpu time spent up to now is 39.5 secs Computing kpt #: 108 total cpu time spent up to now is 39.8 secs Computing kpt #: 109 total cpu time spent up to now is 40.1 secs Computing kpt #: 110 total cpu time spent up to now is 40.4 secs Computing kpt #: 111 total cpu time spent up to now is 40.9 secs Computing kpt #: 112 total cpu time spent up to now is 41.3 secs Computing kpt #: 113 total cpu time spent up to now is 41.7 secs Computing kpt #: 114 total cpu time spent up to now is 42.1 secs Computing kpt #: 115 total cpu time spent up to now is 42.5 secs Computing kpt #: 116 total cpu time spent up to now is 43.0 secs Computing kpt #: 117 total cpu time spent up to now is 43.4 secs Computing kpt #: 118 total cpu time spent up to now is 43.9 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.7 secs Computing kpt #: 120 total cpu time spent up to now is 45.6 secs Computing kpt #: 121 total cpu time spent up to now is 46.2 secs Computing kpt #: 122 total cpu time spent up to now is 46.8 secs Computing kpt #: 123 total cpu time spent up to now is 47.4 secs Computing kpt #: 124 total cpu time spent up to now is 47.8 secs Computing kpt #: 125 total cpu time spent up to now is 48.2 secs Computing kpt #: 126 total cpu time spent up to now is 48.7 secs Computing kpt #: 127 total cpu time spent up to now is 49.3 secs Computing kpt #: 128 total cpu time spent up to now is 49.9 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.8 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 131 total cpu time spent up to now is 52.3 secs Computing kpt #: 132 total cpu time spent up to now is 52.8 secs Computing kpt #: 133 total cpu time spent up to now is 53.2 secs Computing kpt #: 134 total cpu time spent up to now is 53.7 secs Computing kpt #: 135 total cpu time spent up to now is 54.1 secs Computing kpt #: 136 total cpu time spent up to now is 54.5 secs Computing kpt #: 137 total cpu time spent up to now is 54.9 secs Computing kpt #: 138 total cpu time spent up to now is 55.3 secs Computing kpt #: 139 total cpu time spent up to now is 55.7 secs Computing kpt #: 140 total cpu time spent up to now is 56.1 secs Computing kpt #: 141 total cpu time spent up to now is 56.5 secs Computing kpt #: 142 total cpu time spent up to now is 56.9 secs Computing kpt #: 143 total cpu time spent up to now is 57.2 secs Computing kpt #: 144 total cpu time spent up to now is 57.6 secs Computing kpt #: 145 total cpu time spent up to now is 58.0 secs Computing kpt #: 146 total cpu time spent up to now is 58.3 secs Computing kpt #: 147 total cpu time spent up to now is 58.7 secs Computing kpt #: 148 total cpu time spent up to now is 59.0 secs Computing kpt #: 149 total cpu time spent up to now is 59.4 secs Computing kpt #: 150 total cpu time spent up to now is 59.8 secs Computing kpt #: 151 total cpu time spent up to now is 60.1 secs Computing kpt #: 152 total cpu time spent up to now is 60.5 secs Computing kpt #: 153 total cpu time spent up to now is 60.8 secs Computing kpt #: 154 total cpu time spent up to now is 61.2 secs Computing kpt #: 155 total cpu time spent up to now is 61.5 secs Computing kpt #: 156 total cpu time spent up to now is 61.9 secs Computing kpt #: 157 total cpu time spent up to now is 62.2 secs Computing kpt #: 158 total cpu time spent up to now is 62.5 secs Computing kpt #: 159 total cpu time spent up to now is 62.9 secs Computing kpt #: 160 total cpu time spent up to now is 63.2 secs Computing kpt #: 161 total cpu time spent up to now is 63.5 secs Computing kpt #: 162 total cpu time spent up to now is 63.9 secs Computing kpt #: 163 total cpu time spent up to now is 64.2 secs Computing kpt #: 164 total cpu time spent up to now is 64.6 secs Computing kpt #: 165 total cpu time spent up to now is 64.9 secs Computing kpt #: 166 total cpu time spent up to now is 65.2 secs Computing kpt #: 167 total cpu time spent up to now is 65.6 secs Computing kpt #: 168 total cpu time spent up to now is 65.9 secs Computing kpt #: 169 total cpu time spent up to now is 66.3 secs Computing kpt #: 170 total cpu time spent up to now is 66.6 secs Computing kpt #: 171 total cpu time spent up to now is 66.9 secs Computing kpt #: 172 total cpu time spent up to now is 67.3 secs Computing kpt #: 173 total cpu time spent up to now is 67.6 secs Computing kpt #: 174 total cpu time spent up to now is 68.0 secs Computing kpt #: 175 total cpu time spent up to now is 68.4 secs Computing kpt #: 176 total cpu time spent up to now is 68.7 secs Computing kpt #: 177 total cpu time spent up to now is 69.0 secs Computing kpt #: 178 total cpu time spent up to now is 69.3 secs Computing kpt #: 179 total cpu time spent up to now is 69.7 secs Computing kpt #: 180 total cpu time spent up to now is 70.1 secs Computing kpt #: 181 total cpu time spent up to now is 70.4 secs Computing kpt #: 182 total cpu time spent up to now is 70.8 secs Computing kpt #: 183 total cpu time spent up to now is 71.2 secs Computing kpt #: 184 total cpu time spent up to now is 71.6 secs Computing kpt #: 185 total cpu time spent up to now is 72.0 secs Computing kpt #: 186 total cpu time spent up to now is 72.4 secs Computing kpt #: 187 total cpu time spent up to now is 72.8 secs Computing kpt #: 188 total cpu time spent up to now is 73.1 secs Computing kpt #: 189 total cpu time spent up to now is 73.5 secs Computing kpt #: 190 total cpu time spent up to now is 73.9 secs Computing kpt #: 191 total cpu time spent up to now is 74.2 secs Computing kpt #: 192 total cpu time spent up to now is 74.6 secs Computing kpt #: 193 total cpu time spent up to now is 74.9 secs Computing kpt #: 194 total cpu time spent up to now is 75.3 secs Computing kpt #: 195 total cpu time spent up to now is 75.6 secs Computing kpt #: 196 total cpu time spent up to now is 76.0 secs Computing kpt #: 197 total cpu time spent up to now is 76.3 secs Computing kpt #: 198 total cpu time spent up to now is 76.7 secs Computing kpt #: 199 total cpu time spent up to now is 77.0 secs Computing kpt #: 200 total cpu time spent up to now is 77.4 secs Computing kpt #: 201 total cpu time spent up to now is 77.7 secs Computing kpt #: 202 total cpu time spent up to now is 78.1 secs Computing kpt #: 203 total cpu time spent up to now is 78.5 secs Computing kpt #: 204 total cpu time spent up to now is 78.8 secs Computing kpt #: 205 total cpu time spent up to now is 79.2 secs Computing kpt #: 206 total cpu time spent up to now is 79.5 secs Computing kpt #: 207 total cpu time spent up to now is 79.9 secs Computing kpt #: 208 total cpu time spent up to now is 80.2 secs Computing kpt #: 209 total cpu time spent up to now is 80.6 secs Computing kpt #: 210 total cpu time spent up to now is 80.9 secs Computing kpt #: 211 total cpu time spent up to now is 81.2 secs Computing kpt #: 212 total cpu time spent up to now is 81.6 secs Computing kpt #: 213 total cpu time spent up to now is 81.9 secs Computing kpt #: 214 total cpu time spent up to now is 82.2 secs Computing kpt #: 215 total cpu time spent up to now is 82.5 secs Computing kpt #: 216 total cpu time spent up to now is 82.8 secs Computing kpt #: 217 total cpu time spent up to now is 83.2 secs Computing kpt #: 218 total cpu time spent up to now is 83.5 secs Computing kpt #: 219 total cpu time spent up to now is 83.8 secs Computing kpt #: 220 total cpu time spent up to now is 84.1 secs Computing kpt #: 221 total cpu time spent up to now is 84.4 secs Computing kpt #: 222 total cpu time spent up to now is 84.8 secs Computing kpt #: 223 total cpu time spent up to now is 85.1 secs Computing kpt #: 224 total cpu time spent up to now is 85.4 secs Computing kpt #: 225 total cpu time spent up to now is 85.8 secs Computing kpt #: 226 total cpu time spent up to now is 86.1 secs Computing kpt #: 227 total cpu time spent up to now is 86.4 secs Computing kpt #: 228 total cpu time spent up to now is 86.7 secs Computing kpt #: 229 total cpu time spent up to now is 87.0 secs Computing kpt #: 230 total cpu time spent up to now is 87.4 secs Computing kpt #: 231 total cpu time spent up to now is 87.7 secs Computing kpt #: 232 total cpu time spent up to now is 88.1 secs Computing kpt #: 233 total cpu time spent up to now is 88.4 secs Computing kpt #: 234 total cpu time spent up to now is 88.7 secs Computing kpt #: 235 total cpu time spent up to now is 89.0 secs Computing kpt #: 236 total cpu time spent up to now is 89.4 secs Computing kpt #: 237 total cpu time spent up to now is 89.7 secs Computing kpt #: 238 total cpu time spent up to now is 90.0 secs Computing kpt #: 239 total cpu time spent up to now is 90.3 secs Computing kpt #: 240 total cpu time spent up to now is 90.7 secs Computing kpt #: 241 total cpu time spent up to now is 91.0 secs Computing kpt #: 242 total cpu time spent up to now is 91.3 secs Computing kpt #: 243 total cpu time spent up to now is 91.7 secs Computing kpt #: 244 total cpu time spent up to now is 92.0 secs Computing kpt #: 245 total cpu time spent up to now is 92.4 secs Computing kpt #: 246 total cpu time spent up to now is 92.7 secs Computing kpt #: 247 total cpu time spent up to now is 93.1 secs Computing kpt #: 248 total cpu time spent up to now is 93.4 secs Computing kpt #: 249 total cpu time spent up to now is 93.8 secs Computing kpt #: 250 total cpu time spent up to now is 94.1 secs Computing kpt #: 251 total cpu time spent up to now is 94.4 secs Computing kpt #: 252 total cpu time spent up to now is 94.7 secs Computing kpt #: 253 total cpu time spent up to now is 95.1 secs Computing kpt #: 254 total cpu time spent up to now is 95.4 secs Computing kpt #: 255 total cpu time spent up to now is 95.8 secs Computing kpt #: 256 total cpu time spent up to now is 96.1 secs Computing kpt #: 257 total cpu time spent up to now is 96.6 secs Computing kpt #: 258 total cpu time spent up to now is 97.0 secs Computing kpt #: 259 total cpu time spent up to now is 97.5 secs Computing kpt #: 260 total cpu time spent up to now is 97.9 secs Computing kpt #: 261 total cpu time spent up to now is 98.3 secs Computing kpt #: 262 total cpu time spent up to now is 98.6 secs Computing kpt #: 263 total cpu time spent up to now is 99.0 secs Computing kpt #: 264 total cpu time spent up to now is 99.3 secs Computing kpt #: 265 total cpu time spent up to now is 99.7 secs Computing kpt #: 266 total cpu time spent up to now is 100.1 secs Computing kpt #: 267 total cpu time spent up to now is 100.5 secs Computing kpt #: 268 total cpu time spent up to now is 100.8 secs Computing kpt #: 269 total cpu time spent up to now is 101.2 secs Computing kpt #: 270 total cpu time spent up to now is 101.6 secs Computing kpt #: 271 total cpu time spent up to now is 101.9 secs Computing kpt #: 272 total cpu time spent up to now is 102.3 secs Computing kpt #: 273 total cpu time spent up to now is 102.7 secs Computing kpt #: 274 total cpu time spent up to now is 103.0 secs Computing kpt #: 275 total cpu time spent up to now is 103.4 secs Computing kpt #: 276 total cpu time spent up to now is 103.8 secs Computing kpt #: 277 total cpu time spent up to now is 104.1 secs Computing kpt #: 278 total cpu time spent up to now is 104.5 secs Computing kpt #: 279 total cpu time spent up to now is 104.9 secs Computing kpt #: 280 total cpu time spent up to now is 105.3 secs Computing kpt #: 281 total cpu time spent up to now is 105.7 secs Computing kpt #: 282 total cpu time spent up to now is 106.2 secs Computing kpt #: 283 total cpu time spent up to now is 106.6 secs Computing kpt #: 284 total cpu time spent up to now is 107.0 secs Computing kpt #: 285 total cpu time spent up to now is 107.4 secs Computing kpt #: 286 total cpu time spent up to now is 107.8 secs Computing kpt #: 287 total cpu time spent up to now is 108.2 secs Computing kpt #: 288 total cpu time spent up to now is 108.6 secs Computing kpt #: 289 total cpu time spent up to now is 109.0 secs Computing kpt #: 290 total cpu time spent up to now is 109.4 secs Computing kpt #: 291 total cpu time spent up to now is 109.8 secs Computing kpt #: 292 total cpu time spent up to now is 110.3 secs Computing kpt #: 293 total cpu time spent up to now is 110.7 secs Computing kpt #: 294 total cpu time spent up to now is 111.1 secs Computing kpt #: 295 total cpu time spent up to now is 111.5 secs Computing kpt #: 296 total cpu time spent up to now is 111.9 secs Computing kpt #: 297 total cpu time spent up to now is 112.3 secs Computing kpt #: 298 total cpu time spent up to now is 112.8 secs Computing kpt #: 299 total cpu time spent up to now is 113.2 secs Computing kpt #: 300 total cpu time spent up to now is 113.7 secs Computing kpt #: 301 total cpu time spent up to now is 114.1 secs Computing kpt #: 302 total cpu time spent up to now is 114.6 secs Computing kpt #: 303 total cpu time spent up to now is 115.1 secs Computing kpt #: 304 total cpu time spent up to now is 115.7 secs Computing kpt #: 305 total cpu time spent up to now is 116.0 secs Computing kpt #: 306 total cpu time spent up to now is 116.4 secs Computing kpt #: 307 total cpu time spent up to now is 116.8 secs Computing kpt #: 308 total cpu time spent up to now is 117.2 secs Computing kpt #: 309 total cpu time spent up to now is 117.5 secs Computing kpt #: 310 total cpu time spent up to now is 117.9 secs Computing kpt #: 311 total cpu time spent up to now is 118.2 secs Computing kpt #: 312 total cpu time spent up to now is 118.6 secs Computing kpt #: 313 total cpu time spent up to now is 119.0 secs Computing kpt #: 314 total cpu time spent up to now is 119.3 secs Computing kpt #: 315 total cpu time spent up to now is 119.7 secs Computing kpt #: 316 total cpu time spent up to now is 120.1 secs Computing kpt #: 317 total cpu time spent up to now is 120.6 secs Computing kpt #: 318 total cpu time spent up to now is 121.1 secs Computing kpt #: 319 total cpu time spent up to now is 121.7 secs Computing kpt #: 320 total cpu time spent up to now is 122.3 secs Computing kpt #: 321 total cpu time spent up to now is 122.8 secs Computing kpt #: 322 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.7 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 124.6 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.5 secs Computing kpt #: 325 total cpu time spent up to now is 126.3 secs Computing kpt #: 326 total cpu time spent up to now is 127.0 secs Computing kpt #: 327 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 127.8 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.7 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.6 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.4 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.3 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.1 secs Computing kpt #: 333 total cpu time spent up to now is 132.9 secs Computing kpt #: 334 total cpu time spent up to now is 133.7 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.6 secs Computing kpt #: 336 total cpu time spent up to now is 135.4 secs Computing kpt #: 337 total cpu time spent up to now is 136.2 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 137.5 secs Computing kpt #: 340 total cpu time spent up to now is 138.2 secs Computing kpt #: 341 total cpu time spent up to now is 138.7 secs Computing kpt #: 342 total cpu time spent up to now is 139.5 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.4 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.3 secs Computing kpt #: 345 total cpu time spent up to now is 142.0 secs Computing kpt #: 346 total cpu time spent up to now is 142.6 secs Computing kpt #: 347 total cpu time spent up to now is 143.2 secs Computing kpt #: 348 total cpu time spent up to now is 143.8 secs Computing kpt #: 349 total cpu time spent up to now is 144.4 secs Computing kpt #: 350 total cpu time spent up to now is 144.9 secs Computing kpt #: 351 total cpu time spent up to now is 145.5 secs Computing kpt #: 352 total cpu time spent up to now is 145.9 secs Computing kpt #: 353 total cpu time spent up to now is 146.4 secs Computing kpt #: 354 total cpu time spent up to now is 146.8 secs Computing kpt #: 355 total cpu time spent up to now is 147.3 secs Computing kpt #: 356 total cpu time spent up to now is 147.8 secs Computing kpt #: 357 total cpu time spent up to now is 148.4 secs Computing kpt #: 358 total cpu time spent up to now is 148.9 secs Computing kpt #: 359 total cpu time spent up to now is 149.3 secs Computing kpt #: 360 total cpu time spent up to now is 149.8 secs Computing kpt #: 361 total cpu time spent up to now is 150.2 secs Computing kpt #: 362 total cpu time spent up to now is 150.6 secs Computing kpt #: 363 total cpu time spent up to now is 151.0 secs Computing kpt #: 364 total cpu time spent up to now is 151.4 secs Computing kpt #: 365 total cpu time spent up to now is 151.7 secs Computing kpt #: 366 total cpu time spent up to now is 152.1 secs Computing kpt #: 367 total cpu time spent up to now is 152.4 secs Computing kpt #: 368 total cpu time spent up to now is 152.7 secs Computing kpt #: 369 total cpu time spent up to now is 153.1 secs Computing kpt #: 370 total cpu time spent up to now is 153.4 secs Computing kpt #: 371 total cpu time spent up to now is 153.7 secs Computing kpt #: 372 total cpu time spent up to now is 154.1 secs Computing kpt #: 373 total cpu time spent up to now is 154.4 secs Computing kpt #: 374 total cpu time spent up to now is 154.7 secs Computing kpt #: 375 total cpu time spent up to now is 155.0 secs Computing kpt #: 376 total cpu time spent up to now is 155.4 secs Computing kpt #: 377 total cpu time spent up to now is 155.7 secs Computing kpt #: 378 total cpu time spent up to now is 156.0 secs Computing kpt #: 379 total cpu time spent up to now is 156.4 secs Computing kpt #: 380 total cpu time spent up to now is 156.7 secs Computing kpt #: 381 total cpu time spent up to now is 157.1 secs Computing kpt #: 382 total cpu time spent up to now is 157.4 secs Computing kpt #: 383 total cpu time spent up to now is 157.8 secs Computing kpt #: 384 total cpu time spent up to now is 158.1 secs Computing kpt #: 385 total cpu time spent up to now is 158.5 secs Computing kpt #: 386 total cpu time spent up to now is 158.9 secs Computing kpt #: 387 total cpu time spent up to now is 159.2 secs Computing kpt #: 388 total cpu time spent up to now is 159.6 secs Computing kpt #: 389 total cpu time spent up to now is 160.0 secs Computing kpt #: 390 total cpu time spent up to now is 160.3 secs Computing kpt #: 391 total cpu time spent up to now is 160.7 secs Computing kpt #: 392 total cpu time spent up to now is 161.1 secs Computing kpt #: 393 total cpu time spent up to now is 161.4 secs Computing kpt #: 394 total cpu time spent up to now is 161.8 secs Computing kpt #: 395 total cpu time spent up to now is 162.2 secs Computing kpt #: 396 total cpu time spent up to now is 162.6 secs Computing kpt #: 397 total cpu time spent up to now is 163.0 secs Computing kpt #: 398 total cpu time spent up to now is 163.3 secs Computing kpt #: 399 total cpu time spent up to now is 163.7 secs Computing kpt #: 400 total cpu time spent up to now is 164.0 secs Computing kpt #: 401 total cpu time spent up to now is 164.4 secs Computing kpt #: 402 total cpu time spent up to now is 164.7 secs Computing kpt #: 403 total cpu time spent up to now is 165.1 secs Computing kpt #: 404 total cpu time spent up to now is 165.4 secs Computing kpt #: 405 total cpu time spent up to now is 165.7 secs Computing kpt #: 406 total cpu time spent up to now is 166.0 secs Computing kpt #: 407 total cpu time spent up to now is 166.3 secs Computing kpt #: 408 total cpu time spent up to now is 166.6 secs Computing kpt #: 409 total cpu time spent up to now is 166.9 secs Computing kpt #: 410 total cpu time spent up to now is 167.2 secs Computing kpt #: 411 total cpu time spent up to now is 167.5 secs Computing kpt #: 412 total cpu time spent up to now is 167.8 secs Computing kpt #: 413 total cpu time spent up to now is 168.1 secs Computing kpt #: 414 total cpu time spent up to now is 168.4 secs Computing kpt #: 415 total cpu time spent up to now is 168.7 secs Computing kpt #: 416 total cpu time spent up to now is 169.1 secs Computing kpt #: 417 total cpu time spent up to now is 169.4 secs Computing kpt #: 418 total cpu time spent up to now is 169.7 secs Computing kpt #: 419 total cpu time spent up to now is 170.0 secs Computing kpt #: 420 total cpu time spent up to now is 170.3 secs Computing kpt #: 421 total cpu time spent up to now is 170.6 secs Computing kpt #: 422 total cpu time spent up to now is 170.9 secs Computing kpt #: 423 total cpu time spent up to now is 171.3 secs Computing kpt #: 424 total cpu time spent up to now is 171.6 secs Computing kpt #: 425 total cpu time spent up to now is 171.9 secs Computing kpt #: 426 total cpu time spent up to now is 172.3 secs Computing kpt #: 427 total cpu time spent up to now is 172.6 secs Computing kpt #: 428 total cpu time spent up to now is 173.0 secs Computing kpt #: 429 total cpu time spent up to now is 173.3 secs Computing kpt #: 430 total cpu time spent up to now is 173.6 secs Computing kpt #: 431 total cpu time spent up to now is 174.0 secs Computing kpt #: 432 total cpu time spent up to now is 174.3 secs Computing kpt #: 433 total cpu time spent up to now is 174.6 secs Computing kpt #: 434 total cpu time spent up to now is 174.9 secs Computing kpt #: 435 total cpu time spent up to now is 175.3 secs Computing kpt #: 436 total cpu time spent up to now is 175.6 secs Computing kpt #: 437 total cpu time spent up to now is 175.9 secs Computing kpt #: 438 total cpu time spent up to now is 176.2 secs Computing kpt #: 439 total cpu time spent up to now is 176.5 secs Computing kpt #: 440 total cpu time spent up to now is 176.9 secs Computing kpt #: 441 total cpu time spent up to now is 177.2 secs Computing kpt #: 442 total cpu time spent up to now is 177.5 secs Computing kpt #: 443 total cpu time spent up to now is 177.8 secs Computing kpt #: 444 total cpu time spent up to now is 178.1 secs Computing kpt #: 445 total cpu time spent up to now is 178.5 secs Computing kpt #: 446 total cpu time spent up to now is 178.8 secs Computing kpt #: 447 total cpu time spent up to now is 179.1 secs Computing kpt #: 448 total cpu time spent up to now is 179.5 secs Computing kpt #: 449 total cpu time spent up to now is 179.8 secs Computing kpt #: 450 total cpu time spent up to now is 180.2 secs Computing kpt #: 451 total cpu time spent up to now is 180.5 secs Computing kpt #: 452 total cpu time spent up to now is 180.9 secs Computing kpt #: 453 total cpu time spent up to now is 181.3 secs Computing kpt #: 454 total cpu time spent up to now is 181.6 secs Computing kpt #: 455 total cpu time spent up to now is 182.0 secs Computing kpt #: 456 total cpu time spent up to now is 182.3 secs Computing kpt #: 457 total cpu time spent up to now is 182.6 secs Computing kpt #: 458 total cpu time spent up to now is 183.0 secs Computing kpt #: 459 total cpu time spent up to now is 183.3 secs Computing kpt #: 460 total cpu time spent up to now is 183.7 secs Computing kpt #: 461 total cpu time spent up to now is 184.1 secs Computing kpt #: 462 total cpu time spent up to now is 184.5 secs Computing kpt #: 463 total cpu time spent up to now is 184.9 secs Computing kpt #: 464 total cpu time spent up to now is 185.3 secs Computing kpt #: 465 total cpu time spent up to now is 185.7 secs Computing kpt #: 466 total cpu time spent up to now is 186.0 secs Computing kpt #: 467 total cpu time spent up to now is 186.5 secs Computing kpt #: 468 total cpu time spent up to now is 186.9 secs Computing kpt #: 469 total cpu time spent up to now is 187.5 secs Computing kpt #: 470 total cpu time spent up to now is 188.2 secs Computing kpt #: 471 total cpu time spent up to now is 188.6 secs Computing kpt #: 472 total cpu time spent up to now is 189.0 secs Computing kpt #: 473 total cpu time spent up to now is 189.4 secs Computing kpt #: 474 total cpu time spent up to now is 189.8 secs Computing kpt #: 475 total cpu time spent up to now is 190.2 secs Computing kpt #: 476 total cpu time spent up to now is 190.6 secs Computing kpt #: 477 total cpu time spent up to now is 191.0 secs Computing kpt #: 478 total cpu time spent up to now is 191.4 secs Computing kpt #: 479 total cpu time spent up to now is 191.8 secs Computing kpt #: 480 total cpu time spent up to now is 192.2 secs Computing kpt #: 481 total cpu time spent up to now is 192.5 secs Computing kpt #: 482 total cpu time spent up to now is 192.8 secs Computing kpt #: 483 total cpu time spent up to now is 193.1 secs Computing kpt #: 484 total cpu time spent up to now is 193.4 secs Computing kpt #: 485 total cpu time spent up to now is 193.7 secs Computing kpt #: 486 total cpu time spent up to now is 194.0 secs Computing kpt #: 487 total cpu time spent up to now is 194.3 secs Computing kpt #: 488 total cpu time spent up to now is 194.6 secs Computing kpt #: 489 total cpu time spent up to now is 194.9 secs Computing kpt #: 490 total cpu time spent up to now is 195.2 secs Computing kpt #: 491 total cpu time spent up to now is 195.5 secs Computing kpt #: 492 total cpu time spent up to now is 195.8 secs Computing kpt #: 493 total cpu time spent up to now is 196.1 secs Computing kpt #: 494 total cpu time spent up to now is 196.4 secs Computing kpt #: 495 total cpu time spent up to now is 196.7 secs Computing kpt #: 496 total cpu time spent up to now is 197.0 secs Computing kpt #: 497 total cpu time spent up to now is 197.3 secs Computing kpt #: 498 total cpu time spent up to now is 197.6 secs Computing kpt #: 499 total cpu time spent up to now is 198.0 secs Computing kpt #: 500 total cpu time spent up to now is 198.3 secs Computing kpt #: 501 total cpu time spent up to now is 198.8 secs Computing kpt #: 502 total cpu time spent up to now is 199.2 secs Computing kpt #: 503 total cpu time spent up to now is 199.7 secs Computing kpt #: 504 total cpu time spent up to now is 200.3 secs Computing kpt #: 505 total cpu time spent up to now is 200.9 secs Computing kpt #: 506 total cpu time spent up to now is 201.6 secs Computing kpt #: 507 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.4 secs Computing kpt #: 508 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.3 secs ethr = 3.13E-08, avg # of iterations = 39.7 total cpu time spent up to now is 203.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2303 PWs) bands (ev): -21.3602 -21.3602 -10.6753 -10.6753 -9.8979 -9.8979 -4.7808 -4.7808 -4.5835 -4.5835 -4.0777 -4.0777 0.2201 0.2201 1.0381 1.0381 2.3757 2.3757 3.3889 3.3889 4.1210 4.1210 4.5945 4.5945 5.1902 5.1902 5.4189 5.4189 5.6162 5.6162 7.0567 7.0567 9.1963 9.1963 10.0532 10.0532 13.9935 13.9935 14.7760 14.7760 k = 0.0094-0.0000-0.0000 ( 2303 PWs) bands (ev): -21.3600 -21.3600 -10.6747 -10.6747 -9.8981 -9.8981 -4.7808 -4.7808 -4.5834 -4.5834 -4.0790 -4.0790 0.2217 0.2217 1.0390 1.0390 2.3759 2.3759 3.3893 3.3893 4.1168 4.1168 4.5883 4.5883 5.1942 5.1942 5.4221 5.4221 5.6162 5.6162 7.0561 7.0561 9.1948 9.1948 10.0567 10.0567 13.9965 13.9965 14.7778 14.7778 k = 0.0189-0.0000-0.0000 ( 2307 PWs) bands (ev): -21.3594 -21.3594 -10.6730 -10.6730 -9.8986 -9.8986 -4.7809 -4.7809 -4.5832 -4.5832 -4.0832 -4.0832 0.2264 0.2264 1.0417 1.0417 2.3764 2.3764 3.3905 3.3905 4.1045 4.1045 4.5704 4.5704 5.2054 5.2054 5.4317 5.4317 5.6162 5.6162 7.0542 7.0542 9.1903 9.1903 10.0670 10.0670 14.0052 14.0052 14.7829 14.7829 k = 0.0283-0.0000-0.0000 ( 2319 PWs) bands (ev): -21.3584 -21.3584 -10.6700 -10.6700 -9.8995 -9.8995 -4.7809 -4.7809 -4.5830 -4.5830 -4.0901 -4.0901 0.2342 0.2342 1.0461 1.0461 2.3772 2.3772 3.3924 3.3924 4.0841 4.0841 4.5424 4.5424 5.2222 5.2222 5.4475 5.4475 5.6161 5.6161 7.0510 7.0510 9.1828 9.1828 10.0840 10.0840 14.0197 14.0197 14.7914 14.7914 k = 0.0377-0.0000-0.0000 ( 2317 PWs) bands (ev): -21.3570 -21.3570 -10.6659 -10.6659 -9.9007 -9.9007 -4.7810 -4.7810 -4.5825 -4.5825 -4.0997 -4.0997 0.2452 0.2452 1.0523 1.0523 2.3783 2.3783 3.3950 3.3950 4.0561 4.0561 4.5066 4.5066 5.2426 5.2426 5.4689 5.4689 5.6162 5.6162 7.0466 7.0466 9.1726 9.1726 10.1076 10.1076 14.0399 14.0399 14.8031 14.8031 k = 0.0472-0.0000-0.0000 ( 2307 PWs) bands (ev): -21.3552 -21.3552 -10.6607 -10.6607 -9.9022 -9.9022 -4.7811 -4.7811 -4.5819 -4.5819 -4.1119 -4.1119 0.2592 0.2592 1.0604 1.0604 2.3796 2.3796 3.3983 3.3983 4.0208 4.0208 4.4651 4.4651 5.2649 5.2649 5.4952 5.4952 5.6166 5.6166 7.0409 7.0409 9.1598 9.1598 10.1376 10.1376 14.0656 14.0656 14.8179 14.8179 k = 0.0566-0.0000-0.0000 ( 2303 PWs) bands (ev): -21.3530 -21.3530 -10.6543 -10.6543 -9.9042 -9.9042 -4.7812 -4.7812 -4.5811 -4.5811 -4.1267 -4.1267 0.2762 0.2762 1.0703 1.0703 2.3810 2.3810 3.4023 3.4023 3.9787 3.9787 4.4196 4.4196 5.2879 5.2879 5.5250 5.5250 5.6180 5.6180 7.0339 7.0339 9.1446 9.1446 10.1737 10.1737 14.0967 14.0967 14.8355 14.8355 k = 0.0660-0.0000-0.0000 ( 2311 PWs) bands (ev): -21.3504 -21.3504 -10.6468 -10.6468 -9.9064 -9.9064 -4.7815 -4.7815 -4.5802 -4.5802 -4.1439 -4.1439 0.2961 0.2961 1.0820 1.0820 2.3825 2.3825 3.4069 3.4069 3.9304 3.9304 4.3716 4.3716 5.3105 5.3105 5.5550 5.5550 5.6227 5.6227 7.0257 7.0257 9.1272 9.1272 10.2155 10.2155 14.1327 14.1327 14.8558 14.8558 k = 0.0755-0.0000-0.0000 ( 2307 PWs) bands (ev): -21.3474 -21.3474 -10.6382 -10.6382 -9.9090 -9.9090 -4.7818 -4.7818 -4.5792 -4.5792 -4.1635 -4.1635 0.3189 0.3189 1.0957 1.0957 2.3840 2.3840 3.4119 3.4119 3.8764 3.8764 4.3224 4.3224 5.3323 5.3323 5.5777 5.5777 5.6374 5.6374 7.0163 7.0163 9.1081 9.1081 10.2628 10.2628 14.1734 14.1734 14.8784 14.8784 k = 0.0849-0.0000-0.0000 ( 2311 PWs) bands (ev): -21.3441 -21.3441 -10.6286 -10.6286 -9.9119 -9.9119 -4.7823 -4.7823 -4.5779 -4.5779 -4.1852 -4.1852 0.3444 0.3444 1.1112 1.1112 2.3853 2.3853 3.4173 3.4173 3.8174 3.8174 4.2727 4.2727 5.3529 5.3529 5.5872 5.5872 5.6673 5.6673 7.0057 7.0057 9.0875 9.0875 10.3150 10.3150 14.2183 14.2183 14.9032 14.9032 k = 0.0943-0.0000-0.0000 ( 2315 PWs) bands (ev): -21.3404 -21.3404 -10.6179 -10.6179 -9.9151 -9.9151 -4.7829 -4.7829 -4.5765 -4.5765 -4.2089 -4.2089 0.3725 0.3725 1.1288 1.1288 2.3863 2.3863 3.4229 3.4229 3.7543 3.7543 4.2233 4.2233 5.3720 5.3720 5.5888 5.5888 5.7062 5.7062 6.9939 6.9939 9.0659 9.0659 10.3718 10.3718 14.2671 14.2671 14.9297 14.9297 k = 0.1038-0.0000-0.0000 ( 2315 PWs) bands (ev): -21.3364 -21.3364 -10.6062 -10.6062 -9.9186 -9.9186 -4.7837 -4.7837 -4.5748 -4.5748 -4.2346 -4.2346 0.4031 0.4031 1.1484 1.1484 2.3867 2.3867 3.4282 3.4282 3.6879 3.6879 4.1747 4.1747 5.3891 5.3891 5.5875 5.5875 5.7490 5.7490 6.9809 6.9809 9.0436 9.0436 10.4328 10.4328 14.3191 14.3191 14.9576 14.9576 k = 0.1132-0.0000-0.0000 ( 2313 PWs) bands (ev): -21.3320 -21.3320 -10.5936 -10.5936 -9.9224 -9.9224 -4.7848 -4.7848 -4.5730 -4.5730 -4.2618 -4.2618 0.4361 0.4361 1.1702 1.1702 2.3864 2.3864 3.4324 3.4324 3.6199 3.6199 4.1274 4.1274 5.4038 5.4038 5.5850 5.5850 5.7935 5.7935 6.9667 6.9667 9.0210 9.0210 10.4975 10.4975 14.3735 14.3735 14.9867 14.9867 k = 0.1226-0.0000-0.0000 ( 2309 PWs) bands (ev): -21.3273 -21.3273 -10.5800 -10.5800 -9.9265 -9.9265 -4.7861 -4.7861 -4.5709 -4.5709 -4.2905 -4.2905 0.4713 0.4713 1.1941 1.1941 2.3850 2.3850 3.4326 3.4326 3.5536 3.5536 4.0818 4.0818 5.4151 5.4151 5.5826 5.5826 5.8388 5.8388 6.9514 6.9514 8.9986 8.9986 10.5654 10.5654 14.4296 14.4296 15.0165 15.0165 k = 0.1321-0.0000-0.0000 ( 2315 PWs) bands (ev): -21.3224 -21.3224 -10.5656 -10.5656 -9.9308 -9.9308 -4.7878 -4.7878 -4.5687 -4.5687 -4.3205 -4.3205 0.5085 0.5085 1.2203 1.2203 2.3821 2.3821 3.4172 3.4172 3.5014 3.5014 4.0383 4.0383 5.4222 5.4222 5.5811 5.5811 5.8844 5.8844 6.9350 6.9350 8.9766 8.9766 10.6360 10.6360 14.4863 14.4863 15.0468 15.0468 k = 0.1415-0.0000-0.0000 ( 2313 PWs) bands (ev): -21.3171 -21.3171 -10.5503 -10.5503 -9.9354 -9.9354 -4.7900 -4.7900 -4.5664 -4.5664 -4.3513 -4.3513 0.5476 0.5476 1.2490 1.2490 2.3774 2.3774 3.3681 3.3681 3.4819 3.4819 3.9974 3.9974 5.4240 5.4240 5.5815 5.5815 5.9300 5.9300 6.9175 6.9175 8.9557 8.9557 10.7090 10.7090 14.5426 14.5426 15.0772 15.0772 k = 0.1509-0.0000-0.0000 ( 2313 PWs) bands (ev): -21.3115 -21.3115 -10.5343 -10.5343 -9.9403 -9.9403 -4.7927 -4.7927 -4.5641 -4.5641 -4.3826 -4.3826 0.5882 0.5882 1.2800 1.2800 2.3702 2.3702 3.3011 3.3011 3.4799 3.4799 3.9595 3.9595 5.4198 5.4198 5.5841 5.5841 5.9753 5.9753 6.8991 6.8991 8.9359 8.9359 10.7839 10.7839 14.5974 14.5974 15.1073 15.1073 k = 0.1604-0.0000-0.0000 ( 2315 PWs) bands (ev): -21.3058 -21.3058 -10.5176 -10.5176 -9.9454 -9.9454 -4.7961 -4.7961 -4.5620 -4.5620 -4.4140 -4.4140 0.6302 0.6302 1.3137 1.3137 2.3599 2.3599 3.2307 3.2307 3.4816 3.4816 3.9251 3.9251 5.4095 5.4095 5.5891 5.5891 6.0200 6.0200 6.8796 6.8796 8.9178 8.9178 10.8603 10.8603 14.6496 14.6496 15.1369 15.1369 k = 0.1698-0.0000-0.0000 ( 2315 PWs) bands (ev): -21.2997 -21.2997 -10.5001 -10.5001 -9.9507 -9.9507 -4.8003 -4.8003 -4.5605 -4.5605 -4.4446 -4.4446 0.6733 0.6733 1.3500 1.3500 2.3459 2.3459 3.1610 3.1610 3.4834 3.4834 3.8949 3.8949 5.3934 5.3934 5.5959 5.5959 6.0641 6.0641 6.8591 6.8591 8.9016 8.9016 10.9376 10.9376 14.6980 14.6980 15.1655 15.1655 k = 0.1792-0.0000-0.0000 ( 2313 PWs) bands (ev): -21.2935 -21.2935 -10.4821 -10.4821 -9.9561 -9.9561 -4.8056 -4.8056 -4.5606 -4.5606 -4.4731 -4.4731 0.7172 0.7172 1.3892 1.3892 2.3272 2.3272 3.0940 3.0940 3.4841 3.4841 3.8693 3.8693 5.3721 5.3721 5.6038 5.6038 6.1072 6.1072 6.8378 6.8378 8.8875 8.8875 11.0157 11.0157 14.7418 14.7418 15.1928 15.1928 k = 0.1887-0.0000-0.0000 ( 2309 PWs) bands (ev): -21.2871 -21.2871 -10.4635 -10.4635 -9.9618 -9.9618 -4.8124 -4.8124 -4.5645 -4.5645 -4.4968 -4.4968 0.7617 0.7617 1.4311 1.4311 2.3032 2.3032 3.0312 3.0312 3.4829 3.4829 3.8488 3.8488 5.3461 5.3461 5.6120 5.6120 6.1494 6.1494 6.8157 6.8157 8.8758 8.8758 11.0940 11.0940 14.7805 14.7805 15.2182 15.2182 k = 0.1981-0.0000-0.0000 ( 2312 PWs) bands (ev): -21.2805 -21.2805 -10.4445 -10.4445 -9.9676 -9.9676 -4.8210 -4.8210 -4.5758 -4.5758 -4.5116 -4.5116 0.8066 0.8066 1.4760 1.4760 2.2731 2.2731 2.9736 2.9736 3.4795 3.4795 3.8339 3.8339 5.3157 5.3157 5.6202 5.6202 6.1904 6.1904 6.7929 6.7929 8.8665 8.8665 11.1722 11.1722 14.8136 14.8136 15.2416 15.2416 k = 0.2075-0.0000-0.0000 ( 2304 PWs) bands (ev): -21.2737 -21.2737 -10.4250 -10.4250 -9.9736 -9.9736 -4.8319 -4.8319 -4.5941 -4.5941 -4.5170 -4.5170 0.8514 0.8514 1.5239 1.5239 2.2365 2.2365 2.9221 2.9221 3.4739 3.4739 3.8245 3.8245 5.2815 5.2815 5.6279 5.6279 6.2302 6.2302 6.7695 6.7695 8.8599 8.8599 11.2499 11.2499 14.8411 14.8411 15.2623 15.2623 k = 0.2170-0.0000-0.0000 ( 2310 PWs) bands (ev): -21.2668 -21.2668 -10.4052 -10.4052 -9.9797 -9.9797 -4.8456 -4.8456 -4.6151 -4.6151 -4.5170 -4.5170 0.8959 0.8959 1.5746 1.5746 2.1936 2.1936 2.8768 2.8768 3.4665 3.4665 3.8203 3.8203 5.2435 5.2435 5.6347 5.6347 6.2684 6.2684 6.7456 6.7456 8.8560 8.8560 11.3268 11.3268 14.8632 14.8632 15.2802 15.2802 k = 0.2264-0.0000-0.0000 ( 2310 PWs) bands (ev): -21.2599 -21.2599 -10.3851 -10.3851 -9.9859 -9.9859 -4.8625 -4.8625 -4.6352 -4.6352 -4.5145 -4.5145 0.9398 0.9398 1.6280 1.6280 2.1451 2.1451 2.8376 2.8376 3.4580 3.4580 3.8209 3.8209 5.2021 5.2021 5.6405 5.6405 6.3049 6.3049 6.7215 6.7215 8.8546 8.8546 11.4027 11.4027 14.8801 14.8801 15.2950 15.2950 k = 0.2358-0.0000-0.0000 ( 2322 PWs) bands (ev): -21.2528 -21.2528 -10.3649 -10.3649 -9.9921 -9.9921 -4.8828 -4.8828 -4.6529 -4.6529 -4.5107 -4.5107 0.9828 0.9828 1.6838 1.6838 2.0920 2.0920 2.8041 2.8041 3.4489 3.4489 3.8255 3.8255 5.1574 5.1574 5.6450 5.6450 6.3393 6.3393 6.6975 6.6975 8.8559 8.8559 11.4771 11.4771 14.8919 14.8919 15.3064 15.3064 k = 0.2453-0.0000-0.0000 ( 2330 PWs) bands (ev): -21.2457 -21.2457 -10.3444 -10.3444 -9.9984 -9.9984 -4.9062 -4.9062 -4.6677 -4.6677 -4.5062 -4.5062 1.0244 1.0244 1.7411 1.7411 2.0364 2.0364 2.7754 2.7754 3.4401 3.4401 3.8335 3.8335 5.1097 5.1097 5.6481 5.6481 6.3711 6.3711 6.6743 6.6743 8.8597 8.8597 11.5499 11.5499 14.8991 14.8991 15.3145 15.3145 k = 0.2547-0.0000-0.0000 ( 2334 PWs) bands (ev): -21.2386 -21.2386 -10.3240 -10.3240 -10.0048 -10.0048 -4.9324 -4.9324 -4.6795 -4.6795 -4.5013 -4.5013 1.0641 1.0641 1.7977 1.7977 1.9817 1.9817 2.7510 2.7510 3.4320 3.4320 3.8442 3.8442 5.0593 5.0593 5.6496 5.6496 6.3993 6.3993 6.6526 6.6526 8.8660 8.8660 11.6208 11.6208 14.9017 14.9017 15.3191 15.3191 k = 0.2642-0.0000-0.0000 ( 2330 PWs) bands (ev): -21.2315 -21.2315 -10.3035 -10.3035 -10.0111 -10.0111 -4.9606 -4.9606 -4.6889 -4.6889 -4.4961 -4.4961 1.1014 1.1014 1.8412 1.8412 1.9418 1.9418 2.7303 2.7303 3.4252 3.4252 3.8571 3.8571 5.0064 5.0064 5.6495 5.6495 6.4224 6.4224 6.6342 6.6342 8.8745 8.8745 11.6895 11.6895 14.8998 14.8998 15.3204 15.3204 k = 0.2736-0.0000-0.0000 ( 2326 PWs) bands (ev): -21.2243 -21.2243 -10.2832 -10.2832 -10.0174 -10.0174 -4.9903 -4.9903 -4.6962 -4.6962 -4.4907 -4.4907 1.1353 1.1353 1.8292 1.8292 1.9602 1.9602 2.7131 2.7131 3.4200 3.4200 3.8716 3.8716 4.9513 4.9513 5.6476 5.6476 6.4379 6.4379 6.6216 6.6216 8.8851 8.8851 11.7559 11.7559 14.8935 14.8935 15.3185 15.3185 k = 0.2830-0.0000-0.0000 ( 2318 PWs) bands (ev): -21.2173 -21.2173 -10.2630 -10.2630 -10.0236 -10.0236 -5.0209 -5.0209 -4.7019 -4.7019 -4.4852 -4.4852 1.1644 1.1644 1.7842 1.7842 2.0157 2.0157 2.6993 2.6993 3.4165 3.4165 3.8874 3.8874 4.8942 4.8942 5.6438 5.6438 6.4429 6.4429 6.6177 6.6177 8.8976 8.8976 11.8197 11.8197 14.8828 14.8828 15.3135 15.3135 k = 0.2925-0.0000-0.0000 ( 2318 PWs) bands (ev): -21.2103 -21.2103 -10.2431 -10.2431 -10.0298 -10.0298 -5.0518 -5.0518 -4.7063 -4.7063 -4.4796 -4.4796 1.1867 1.1867 1.7387 1.7387 2.0773 2.0773 2.6897 2.6897 3.4148 3.4148 3.9041 3.9041 4.8355 4.8355 5.6380 5.6380 6.4365 6.4365 6.6234 6.6234 8.9117 8.9117 11.8807 11.8807 14.8676 14.8676 15.3056 15.3056 k = 0.3019-0.0000-0.0000 ( 2318 PWs) bands (ev): -21.2034 -21.2034 -10.2235 -10.2235 -10.0359 -10.0359 -5.0827 -5.0827 -4.7097 -4.7097 -4.4740 -4.4740 1.1999 1.1999 1.7008 1.7008 2.1385 2.1385 2.6854 2.6854 3.4148 3.4148 3.9215 3.9215 4.7754 4.7754 5.6302 5.6302 6.4209 6.4209 6.6366 6.6366 8.9272 8.9272 11.9389 11.9389 14.8479 14.8479 15.2953 15.2953 k = 0.3113-0.0000-0.0000 ( 2314 PWs) bands (ev): -21.1966 -21.1966 -10.2043 -10.2043 -10.0418 -10.0418 -5.1132 -5.1132 -4.7123 -4.7123 -4.4684 -4.4684 1.2012 1.2012 1.6746 1.6746 2.1960 2.1960 2.6881 2.6881 3.4165 3.4165 3.9392 3.9392 4.7143 4.7143 5.6203 5.6203 6.3994 6.3994 6.6541 6.6541 8.9440 8.9440 11.9941 11.9941 14.8239 14.8239 15.2827 15.2827 k = 0.3208-0.0000-0.0000 ( 2314 PWs) bands (ev): -21.1899 -21.1899 -10.1857 -10.1857 -10.0475 -10.0475 -5.1432 -5.1432 -4.7143 -4.7143 -4.4629 -4.4629 1.1894 1.1894 1.6621 1.6621 2.2468 2.2468 2.7004 2.7004 3.4197 3.4197 3.9569 3.9569 4.6526 4.6526 5.6083 5.6083 6.3744 6.3744 6.6737 6.6737 8.9616 8.9616 12.0463 12.0463 14.7954 14.7954 15.2682 15.2682 k = 0.3302-0.0000-0.0000 ( 2310 PWs) bands (ev): -21.1835 -21.1835 -10.1676 -10.1676 -10.0530 -10.0530 -5.1723 -5.1723 -4.7158 -4.7158 -4.4574 -4.4574 1.1652 1.1652 1.6632 1.6632 2.2880 2.2880 2.7245 2.7245 3.4243 3.4243 3.9744 3.9744 4.5907 4.5907 5.5941 5.5941 6.3473 6.3473 6.6938 6.6938 8.9800 8.9800 12.0952 12.0952 14.7629 14.7629 15.2523 15.2523 k = 0.3396-0.0000-0.0000 ( 2312 PWs) bands (ev): -21.1772 -21.1772 -10.1504 -10.1504 -10.0581 -10.0581 -5.2005 -5.2005 -4.7169 -4.7169 -4.4521 -4.4521 1.1314 1.1314 1.6752 1.6752 2.3182 2.3182 2.7618 2.7618 3.4301 3.4301 3.9912 3.9912 4.5289 4.5289 5.5778 5.5778 6.3191 6.3191 6.7139 6.7139 8.9989 8.9989 12.1410 12.1410 14.7266 14.7266 15.2352 15.2352 k = 0.3491-0.0000-0.0000 ( 2312 PWs) bands (ev): -21.1711 -21.1711 -10.1341 -10.1341 -10.0627 -10.0627 -5.2275 -5.2275 -4.7177 -4.7177 -4.4469 -4.4469 1.0912 1.0912 1.6951 1.6951 2.3377 2.3377 2.8115 2.8115 3.4370 3.4370 4.0070 4.0070 4.4680 4.4680 5.5594 5.5594 6.2903 6.2903 6.7333 6.7333 9.0180 9.0180 12.1836 12.1836 14.6871 14.6871 15.2173 15.2173 k = 0.3585-0.0000-0.0000 ( 2312 PWs) bands (ev): -21.1653 -21.1653 -10.1192 -10.1192 -10.0664 -10.0664 -5.2532 -5.2532 -4.7182 -4.7182 -4.4418 -4.4418 1.0475 1.0475 1.7201 1.7201 2.3489 2.3489 2.8713 2.8713 3.4449 3.4449 4.0209 4.0209 4.4087 4.4087 5.5390 5.5390 6.2613 6.2613 6.7520 6.7520 9.0371 9.0371 12.2229 12.2229 14.6449 14.6449 15.1990 15.1990 k = 0.3679-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1598 -21.1598 -10.1065 -10.1065 -10.0684 -10.0684 -5.2776 -5.2776 -4.7185 -4.7185 -4.4370 -4.4370 1.0025 1.0025 1.7481 1.7481 2.3543 2.3543 2.9381 2.9381 3.4535 3.4535 4.0322 4.0322 4.3519 4.3519 5.5168 5.5168 6.2324 6.2324 6.7696 6.7696 9.0560 9.0560 12.2591 12.2591 14.6008 14.6008 15.1807 15.1807 k = 0.3774-0.0000-0.0000 ( 2302 PWs) bands (ev): -21.1545 -21.1545 -10.0981 -10.0981 -10.0668 -10.0668 -5.3006 -5.3006 -4.7186 -4.7186 -4.4324 -4.4324 0.9576 0.9576 1.7775 1.7775 2.3563 2.3563 3.0093 3.0093 3.4630 3.4630 4.0392 4.0392 4.2995 4.2995 5.4927 5.4927 6.2040 6.2040 6.7862 6.7862 9.0746 9.0746 12.2921 12.2921 14.5556 14.5556 15.1625 15.1625 k = 0.3868-0.0000-0.0000 ( 2298 PWs) bands (ev): -21.1495 -21.1495 -10.0953 -10.0953 -10.0601 -10.0601 -5.3220 -5.3220 -4.7186 -4.7186 -4.4280 -4.4280 0.9139 0.9139 1.8072 1.8072 2.3566 2.3566 3.0827 3.0827 3.4733 3.4733 4.0394 4.0394 4.2540 4.2540 5.4672 5.4672 6.1762 6.1762 6.8016 6.8016 9.0925 9.0925 12.3221 12.3221 14.5102 14.5102 15.1449 15.1449 k = 0.3962-0.0000-0.0000 ( 2298 PWs) bands (ev): -21.1449 -21.1449 -10.0961 -10.0961 -10.0504 -10.0504 -5.3419 -5.3419 -4.7185 -4.7185 -4.4239 -4.4239 0.8721 0.8721 1.8363 1.8363 2.3566 2.3566 3.1564 3.1564 3.4846 3.4846 4.0298 4.0298 4.2187 4.2187 5.4405 5.4405 6.1494 6.1494 6.8158 6.8158 9.1097 9.1097 12.3491 12.3491 14.4653 14.4653 15.1279 15.1279 k = 0.4057-0.0000-0.0000 ( 2290 PWs) bands (ev): -21.1406 -21.1406 -10.0984 -10.0984 -10.0399 -10.0399 -5.3602 -5.3602 -4.7183 -4.7183 -4.4201 -4.4201 0.8328 0.8328 1.8639 1.8639 2.3572 2.3572 3.2284 3.2284 3.4974 3.4974 4.0086 4.0086 4.1956 4.1956 5.4128 5.4128 6.1238 6.1238 6.8289 6.8289 9.1259 9.1259 12.3731 12.3731 14.4218 14.4218 15.1118 15.1118 k = 0.4151-0.0000-0.0000 ( 2290 PWs) bands (ev): -21.1366 -21.1366 -10.1011 -10.1011 -10.0298 -10.0298 -5.3769 -5.3769 -4.7181 -4.7181 -4.4166 -4.4166 0.7963 0.7963 1.8894 1.8894 2.3588 2.3588 3.2965 3.2965 3.5125 3.5125 3.9782 3.9782 4.1827 4.1827 5.3848 5.3848 6.0996 6.0996 6.8407 6.8407 9.1411 9.1411 12.3944 12.3944 14.3805 14.3805 15.0968 15.0968 k = 0.4245-0.0000-0.0000 ( 2298 PWs) bands (ev): -21.1331 -21.1331 -10.1038 -10.1038 -10.0204 -10.0204 -5.3918 -5.3918 -4.7179 -4.7179 -4.4134 -4.4134 0.7630 0.7630 1.9124 1.9124 2.3619 2.3619 3.3576 3.3576 3.5313 3.5313 3.9440 3.9440 4.1752 4.1752 5.3568 5.3568 6.0770 6.0770 6.8512 6.8512 9.1550 9.1550 12.4131 12.4131 14.3418 14.3418 15.0831 15.0831 k = 0.4340-0.0000-0.0000 ( 2302 PWs) bands (ev): -21.1299 -21.1299 -10.1063 -10.1063 -10.0119 -10.0119 -5.4051 -5.4051 -4.7176 -4.7176 -4.4105 -4.4105 0.7332 0.7332 1.9325 1.9325 2.3664 2.3664 3.4078 3.4078 3.5558 3.5558 3.9110 3.9110 4.1694 4.1694 5.3295 5.3295 6.0564 6.0564 6.8605 6.8605 9.1675 9.1675 12.4291 12.4291 14.3065 14.3065 15.0706 15.0706 k = 0.4434-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1272 -21.1272 -10.1086 -10.1086 -10.0044 -10.0044 -5.4166 -5.4166 -4.7173 -4.7173 -4.4081 -4.4081 0.7069 0.7069 1.9496 1.9496 2.3722 2.3722 3.4448 3.4448 3.5855 3.5855 3.8840 3.8840 4.1627 4.1627 5.3037 5.3037 6.0379 6.0379 6.8686 6.8686 9.1787 9.1787 12.4428 12.4428 14.2750 14.2750 15.0597 15.0597 k = 0.4528-0.0000-0.0000 ( 2304 PWs) bands (ev): -21.1248 -21.1248 -10.1105 -10.1105 -9.9980 -9.9980 -5.4264 -5.4264 -4.7171 -4.7171 -4.4059 -4.4059 0.6845 0.6845 1.9635 1.9635 2.3788 2.3788 3.4701 3.4701 3.6143 3.6143 3.8678 3.8678 4.1539 4.1539 5.2799 5.2799 6.0219 6.0219 6.8754 6.8754 9.1882 9.1882 12.4541 12.4541 14.2477 14.2477 15.0503 15.0503 k = 0.4623-0.0000-0.0000 ( 2306 PWs) bands (ev): -21.1228 -21.1228 -10.1122 -10.1122 -9.9927 -9.9927 -5.4344 -5.4344 -4.7169 -4.7169 -4.4042 -4.4042 0.6660 0.6660 1.9744 1.9744 2.3857 2.3857 3.4878 3.4878 3.6336 3.6336 3.8671 3.8671 4.1422 4.1422 5.2591 5.2591 6.0084 6.0084 6.8809 6.8809 9.1961 9.1961 12.4632 12.4632 14.2249 14.2249 15.0425 15.0425 k = 0.4717-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1213 -21.1213 -10.1135 -10.1135 -9.9885 -9.9885 -5.4406 -5.4406 -4.7167 -4.7167 -4.4028 -4.4028 0.6515 0.6515 1.9825 1.9825 2.3921 2.3921 3.5009 3.5009 3.6401 3.6401 3.8818 3.8818 4.1279 4.1279 5.2419 5.2419 5.9977 5.9977 6.8853 6.8853 9.2024 9.2024 12.4702 12.4702 14.2069 14.2069 15.0364 15.0364 k = 0.4811-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1202 -21.1202 -10.1144 -10.1144 -9.9855 -9.9855 -5.4451 -5.4451 -4.7166 -4.7166 -4.4018 -4.4018 0.6411 0.6411 1.9881 1.9881 2.3972 2.3972 3.5105 3.5105 3.6379 3.6379 3.9046 3.9046 4.1123 4.1123 5.2291 5.2291 5.9900 5.9900 6.8884 6.8884 9.2069 9.2069 12.4751 12.4751 14.1939 14.1939 15.0320 15.0320 k = 0.4906-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1195 -21.1195 -10.1150 -10.1150 -9.9837 -9.9837 -5.4477 -5.4477 -4.7165 -4.7165 -4.4012 -4.4012 0.6348 0.6348 1.9914 1.9914 2.4006 2.4006 3.5167 3.5167 3.6335 3.6335 3.9251 3.9251 4.0988 4.0988 5.2212 5.2212 5.9853 5.9853 6.8902 6.8902 9.2096 9.2096 12.4780 12.4780 14.1861 14.1861 15.0293 15.0293 k = 0.5000-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1193 -21.1193 -10.1152 -10.1152 -9.9831 -9.9831 -5.4486 -5.4486 -4.7165 -4.7165 -4.4010 -4.4010 0.6328 0.6328 1.9924 1.9924 2.4017 2.4017 3.5189 3.5189 3.6315 3.6315 3.9335 3.9335 4.0931 4.0931 5.2185 5.2185 5.9837 5.9837 6.8909 6.8909 9.2105 9.2105 12.4790 12.4790 14.1835 14.1835 15.0284 15.0284 k = 0.5000-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1193 -21.1193 -10.1152 -10.1152 -9.9831 -9.9831 -5.4486 -5.4486 -4.7165 -4.7165 -4.4010 -4.4010 0.6328 0.6328 1.9924 1.9924 2.4017 2.4017 3.5189 3.5189 3.6315 3.6315 3.9335 3.9335 4.0931 4.0931 5.2185 5.2185 5.9837 5.9837 6.8909 6.8909 9.2105 9.2105 12.4790 12.4790 14.1835 14.1835 15.0284 15.0284 k = 0.5000 0.0095-0.0000 ( 2312 PWs) bands (ev): -21.1193 -21.1193 -10.1151 -10.1151 -9.9829 -9.9829 -5.4488 -5.4488 -4.7164 -4.7164 -4.4017 -4.4017 0.6332 0.6332 1.9922 1.9922 2.4016 2.4016 3.5189 3.5189 3.6316 3.6316 3.9333 3.9333 4.0933 4.0933 5.2188 5.2188 5.9826 5.9826 6.8909 6.8909 9.2106 9.2106 12.4795 12.4795 14.1851 14.1851 15.0302 15.0302 k = 0.5000 0.0191-0.0000 ( 2312 PWs) bands (ev): -21.1191 -21.1191 -10.1149 -10.1149 -9.9824 -9.9824 -5.4492 -5.4492 -4.7162 -4.7162 -4.4035 -4.4035 0.6345 0.6345 1.9915 1.9915 2.4012 2.4012 3.5191 3.5191 3.6317 3.6317 3.9327 3.9327 4.0941 4.0941 5.2197 5.2197 5.9792 5.9792 6.8909 6.8909 9.2109 9.2109 12.4810 12.4810 14.1901 14.1901 15.0355 15.0355 k = 0.5000 0.0286-0.0000 ( 2316 PWs) bands (ev): -21.1189 -21.1189 -10.1145 -10.1145 -9.9815 -9.9815 -5.4500 -5.4500 -4.7160 -4.7160 -4.4066 -4.4066 0.6367 0.6367 1.9902 1.9902 2.4005 2.4005 3.5193 3.5193 3.6319 3.6319 3.9317 3.9317 4.0954 4.0954 5.2212 5.2212 5.9737 5.9737 6.8909 6.8909 9.2113 9.2113 12.4834 12.4834 14.1983 14.1983 15.0444 15.0444 k = 0.5000 0.0381-0.0000 ( 2312 PWs) bands (ev): -21.1185 -21.1185 -10.1140 -10.1140 -9.9802 -9.9802 -5.4510 -5.4510 -4.7155 -4.7155 -4.4109 -4.4109 0.6397 0.6397 1.9885 1.9885 2.3996 2.3996 3.5196 3.5196 3.6322 3.6322 3.9302 3.9302 4.0973 4.0973 5.2233 5.2233 5.9660 5.9660 6.8909 6.8909 9.2120 9.2120 12.4867 12.4867 14.2098 14.2098 15.0566 15.0566 k = 0.5000 0.0476-0.0000 ( 2312 PWs) bands (ev): -21.1181 -21.1181 -10.1134 -10.1134 -9.9785 -9.9785 -5.4523 -5.4523 -4.7150 -4.7150 -4.4164 -4.4164 0.6436 0.6436 1.9863 1.9863 2.3984 2.3984 3.5201 3.5201 3.6325 3.6325 3.9283 3.9283 4.0998 4.0998 5.2261 5.2261 5.9561 5.9561 6.8910 6.8910 9.2128 9.2128 12.4908 12.4908 14.2244 14.2244 15.0723 15.0723 k = 0.5000 0.0572-0.0000 ( 2312 PWs) bands (ev): -21.1176 -21.1176 -10.1126 -10.1126 -9.9765 -9.9765 -5.4539 -5.4539 -4.7144 -4.7144 -4.4230 -4.4230 0.6482 0.6482 1.9836 1.9836 2.3970 2.3970 3.5206 3.5206 3.6328 3.6328 3.9260 3.9260 4.1031 4.1031 5.2295 5.2295 5.9442 5.9442 6.8910 6.8910 9.2138 9.2138 12.4954 12.4954 14.2421 14.2421 15.0912 15.0912 k = 0.5000 0.0667-0.0000 ( 2312 PWs) bands (ev): -21.1169 -21.1169 -10.1117 -10.1117 -9.9741 -9.9741 -5.4558 -5.4558 -4.7138 -4.7138 -4.4307 -4.4307 0.6536 0.6536 1.9803 1.9803 2.3954 2.3954 3.5211 3.5211 3.6331 3.6331 3.9233 3.9233 4.1071 4.1071 5.2337 5.2337 5.9304 5.9304 6.8910 6.8910 9.2150 9.2150 12.5004 12.5004 14.2627 14.2627 15.1133 15.1133 k = 0.5000 0.0762-0.0000 ( 2310 PWs) bands (ev): -21.1162 -21.1162 -10.1106 -10.1106 -9.9715 -9.9715 -5.4580 -5.4580 -4.7131 -4.7131 -4.4393 -4.4393 0.6598 0.6598 1.9765 1.9765 2.3935 2.3935 3.5217 3.5217 3.6333 3.6333 3.9201 3.9201 4.1120 4.1120 5.2386 5.2386 5.9146 5.9146 6.8911 6.8911 9.2163 9.2163 12.5056 12.5056 14.2861 14.2861 15.1384 15.1384 k = 0.5000 0.0857-0.0000 ( 2308 PWs) bands (ev): -21.1154 -21.1154 -10.1094 -10.1094 -9.9685 -9.9685 -5.4604 -5.4604 -4.7124 -4.7124 -4.4488 -4.4488 0.6666 0.6666 1.9722 1.9722 2.3914 2.3914 3.5222 3.5222 3.6334 3.6334 3.9165 3.9165 4.1180 4.1180 5.2442 5.2442 5.8972 5.8972 6.8911 6.8911 9.2178 9.2178 12.5107 12.5107 14.3123 14.3123 15.1663 15.1663 k = 0.5000 0.0953-0.0000 ( 2308 PWs) bands (ev): -21.1145 -21.1145 -10.1082 -10.1082 -9.9651 -9.9651 -5.4631 -5.4631 -4.7117 -4.7117 -4.4591 -4.4591 0.6741 0.6741 1.9673 1.9673 2.3891 2.3891 3.5226 3.5226 3.6334 3.6334 3.9125 3.9125 4.1250 4.1250 5.2508 5.2508 5.8781 5.8781 6.8911 6.8911 9.2194 9.2194 12.5154 12.5154 14.3409 14.3409 15.1969 15.1969 k = 0.5000 0.1048-0.0000 ( 2312 PWs) bands (ev): -21.1136 -21.1136 -10.1068 -10.1068 -9.9615 -9.9615 -5.4661 -5.4661 -4.7112 -4.7112 -4.4701 -4.4701 0.6821 0.6821 1.9619 1.9619 2.3867 2.3867 3.5229 3.5229 3.6332 3.6332 3.9080 3.9080 4.1332 4.1332 5.2582 5.2582 5.8574 5.8574 6.8911 6.8911 9.2211 9.2211 12.5194 12.5194 14.3718 14.3718 15.2301 15.2301 k = 0.5000 0.1143-0.0000 ( 2316 PWs) bands (ev): -21.1126 -21.1126 -10.1053 -10.1053 -9.9576 -9.9576 -5.4693 -5.4693 -4.7108 -4.7108 -4.4816 -4.4816 0.6907 0.6907 1.9559 1.9559 2.3842 2.3842 3.5229 3.5229 3.6329 3.6329 3.9031 3.9031 4.1427 4.1427 5.2665 5.2665 5.8354 5.8354 6.8911 6.8911 9.2229 9.2229 12.5225 12.5225 14.4048 14.4048 15.2655 15.2655 k = 0.5000 0.1238-0.0000 ( 2316 PWs) bands (ev): -21.1115 -21.1115 -10.1037 -10.1037 -9.9535 -9.9535 -5.4727 -5.4727 -4.7107 -4.7107 -4.4935 -4.4935 0.6997 0.6997 1.9494 1.9494 2.3816 2.3816 3.5227 3.5227 3.6324 3.6324 3.8978 3.8978 4.1535 4.1535 5.2759 5.2759 5.8122 5.8122 6.8910 6.8910 9.2247 9.2247 12.5241 12.5241 14.4397 14.4397 15.3030 15.3030 k = 0.5000 0.1334-0.0000 ( 2312 PWs) bands (ev): -21.1103 -21.1103 -10.1020 -10.1020 -9.9491 -9.9491 -5.4763 -5.4763 -4.7109 -4.7109 -4.5057 -4.5057 0.7092 0.7092 1.9424 1.9424 2.3789 2.3789 3.5220 3.5220 3.6317 3.6317 3.8920 3.8920 4.1657 4.1657 5.2864 5.2864 5.7879 5.7879 6.8910 6.8910 9.2267 9.2267 12.5239 12.5239 14.4762 14.4762 15.3424 15.3424 k = 0.5000 0.1429-0.0000 ( 2312 PWs) bands (ev): -21.1091 -21.1091 -10.1002 -10.1002 -9.9445 -9.9445 -5.4801 -5.4801 -4.7115 -4.7115 -4.5179 -4.5179 0.7190 0.7190 1.9348 1.9348 2.3763 2.3763 3.5209 3.5209 3.6308 3.6308 3.8858 3.8858 4.1793 4.1793 5.2982 5.2982 5.7626 5.7626 6.8908 6.8908 9.2287 9.2287 12.5216 12.5216 14.5139 14.5139 15.3834 15.3834 k = 0.5000 0.1524-0.0000 ( 2306 PWs) bands (ev): -21.1078 -21.1078 -10.0984 -10.0984 -9.9397 -9.9397 -5.4840 -5.4840 -4.7128 -4.7128 -4.5299 -4.5299 0.7291 0.7291 1.9267 1.9267 2.3737 2.3737 3.5194 3.5194 3.6296 3.6296 3.8793 3.8793 4.1942 4.1942 5.3112 5.3112 5.7365 5.7365 6.8907 6.8907 9.2308 9.2308 12.5166 12.5166 14.5527 14.5527 15.4258 15.4258 k = 0.5000 0.1619-0.0000 ( 2310 PWs) bands (ev): -21.1066 -21.1066 -10.0965 -10.0965 -9.9348 -9.9348 -5.4882 -5.4882 -4.7149 -4.7149 -4.5415 -4.5415 0.7394 0.7394 1.9182 1.9182 2.3711 2.3711 3.5173 3.5173 3.6283 3.6283 3.8723 3.8723 4.2104 4.2104 5.3255 5.3255 5.7098 5.7098 6.8905 6.8905 9.2329 9.2329 12.5086 12.5086 14.5921 14.5921 15.4694 15.4694 k = 0.5000 0.1715-0.0000 ( 2310 PWs) bands (ev): -21.1052 -21.1052 -10.0945 -10.0945 -9.9296 -9.9296 -5.4925 -5.4925 -4.7179 -4.7179 -4.5524 -4.5524 0.7499 0.7499 1.9093 1.9093 2.3686 2.3686 3.5147 3.5147 3.6267 3.6267 3.8650 3.8650 4.2279 4.2279 5.3413 5.3413 5.6825 5.6825 6.8903 6.8903 9.2350 9.2350 12.4973 12.4973 14.6318 14.6318 15.5139 15.5139 k = 0.5000 0.1810-0.0000 ( 2310 PWs) bands (ev): -21.1039 -21.1039 -10.0925 -10.0925 -9.9244 -9.9244 -5.4969 -5.4969 -4.7220 -4.7220 -4.5623 -4.5623 0.7605 0.7605 1.8999 1.8999 2.3662 2.3662 3.5116 3.5116 3.6249 3.6249 3.8574 3.8574 4.2464 4.2464 5.3587 5.3587 5.6550 5.6550 6.8901 6.8901 9.2372 9.2372 12.4821 12.4821 14.6715 14.6715 15.5591 15.5591 k = 0.5000 0.1905-0.0000 ( 2310 PWs) bands (ev): -21.1025 -21.1025 -10.0905 -10.0905 -9.9190 -9.9190 -5.5014 -5.5014 -4.7274 -4.7274 -4.5711 -4.5711 0.7712 0.7712 1.8903 1.8903 2.3640 2.3640 3.5080 3.5080 3.6229 3.6229 3.8495 3.8495 4.2657 4.2657 5.3777 5.3777 5.6272 5.6272 6.8898 6.8898 9.2393 9.2393 12.4628 12.4628 14.7107 14.7107 15.6047 15.6047 k = 0.5000 0.2000-0.0000 ( 2304 PWs) bands (ev): -21.1011 -21.1011 -10.0884 -10.0884 -9.9136 -9.9136 -5.5060 -5.5060 -4.7342 -4.7342 -4.5785 -4.5785 0.7819 0.7819 1.8804 1.8804 2.3619 2.3619 3.5039 3.5039 3.6206 3.6206 3.8414 3.8414 4.2858 4.2858 5.3984 5.3984 5.5994 5.5994 6.8895 6.8895 9.2415 9.2415 12.4391 12.4391 14.7491 14.7491 15.6459 15.6461 k = 0.5000 0.2096-0.0000 ( 2304 PWs) bands (ev): -21.0996 -21.0996 -10.0864 -10.0864 -9.9082 -9.9082 -5.5106 -5.5106 -4.7424 -4.7424 -4.5845 -4.5845 0.7925 0.7925 1.8703 1.8703 2.3600 2.3600 3.4994 3.4994 3.6182 3.6182 3.8330 3.8330 4.3063 4.3063 5.4207 5.4207 5.5717 5.5717 6.8892 6.8892 9.2436 9.2436 12.4107 12.4107 14.7860 14.7860 15.5752 15.5752 k = 0.5000 0.2191-0.0000 ( 2312 PWs) bands (ev): -21.0983 -21.0983 -10.0843 -10.0843 -9.9027 -9.9027 -5.5153 -5.5153 -4.7519 -4.7519 -4.5892 -4.5892 0.8030 0.8030 1.8600 1.8600 2.3583 2.3583 3.4946 3.4946 3.6156 3.6156 3.8245 3.8245 4.3271 4.3271 5.4448 5.4448 5.5443 5.5443 6.8889 6.8889 9.2457 9.2457 12.3777 12.3777 14.8211 14.8211 15.5057 15.5057 k = 0.5000 0.2286-0.0000 ( 2316 PWs) bands (ev): -21.0969 -21.0969 -10.0822 -10.0822 -9.8972 -9.8972 -5.5200 -5.5200 -4.7624 -4.7624 -4.5926 -4.5926 0.8133 0.8133 1.8497 1.8497 2.3567 2.3567 3.4895 3.4895 3.6128 3.6128 3.8159 3.8159 4.3479 4.3479 5.4701 5.4701 5.5178 5.5178 6.8886 6.8886 9.2478 9.2478 12.3399 12.3399 14.8535 14.8535 15.4396 15.4396 k = 0.5000 0.2381-0.0000 ( 2320 PWs) bands (ev): -21.0955 -21.0955 -10.0802 -10.0802 -9.8918 -9.8918 -5.5247 -5.5247 -4.7738 -4.7738 -4.5950 -4.5950 0.8235 0.8235 1.8394 1.8394 2.3554 2.3554 3.4841 3.4841 3.6100 3.6100 3.8072 3.8072 4.3685 4.3685 5.4855 5.4855 5.5034 5.5034 6.8882 6.8882 9.2498 9.2498 12.2975 12.2975 14.8825 14.8825 15.3787 15.3787 k = 0.5000 0.2477-0.0000 ( 2320 PWs) bands (ev): -21.0941 -21.0941 -10.0782 -10.0782 -9.8864 -9.8864 -5.5294 -5.5294 -4.7858 -4.7858 -4.5964 -4.5964 0.8333 0.8333 1.8292 1.8292 2.3542 2.3542 3.4785 3.4785 3.6070 3.6070 3.7985 3.7985 4.3887 4.3887 5.4628 5.4628 5.5293 5.5293 6.8879 6.8879 9.2518 9.2518 12.2508 12.2508 14.9070 14.9070 15.3248 15.3248 k = 0.5000 0.2572-0.0000 ( 2320 PWs) bands (ev): -21.0928 -21.0928 -10.0762 -10.0762 -9.8811 -9.8811 -5.5340 -5.5340 -4.7981 -4.7981 -4.5970 -4.5970 0.8429 0.8429 1.8191 1.8191 2.3531 2.3531 3.4728 3.4728 3.6040 3.6040 3.7899 3.7899 4.4083 4.4083 5.4378 5.4378 5.5598 5.5598 6.8877 6.8877 9.2537 9.2537 12.2001 12.2001 14.9256 14.9256 15.2796 15.2796 k = 0.5000 0.2667-0.0000 ( 2320 PWs) bands (ev): -21.0915 -21.0915 -10.0743 -10.0743 -9.8760 -9.8760 -5.5385 -5.5385 -4.8106 -4.8106 -4.5971 -4.5971 0.8522 0.8522 1.8092 1.8092 2.3522 2.3522 3.4671 3.4671 3.6010 3.6010 3.7813 3.7813 4.4271 4.4271 5.4133 5.4133 5.5918 5.5918 6.8875 6.8875 9.2555 9.2555 12.1459 12.1459 14.9364 14.9364 15.2451 15.2451 k = 0.5000 0.2762-0.0000 ( 2324 PWs) bands (ev): -21.0902 -21.0902 -10.0725 -10.0725 -9.8710 -9.8710 -5.5429 -5.5429 -4.8231 -4.8231 -4.5968 -4.5968 0.8610 0.8610 1.7996 1.7996 2.3515 2.3515 3.4614 3.4614 3.5980 3.5980 3.7729 3.7729 4.4449 4.4449 5.3898 5.3898 5.6250 5.6250 6.8873 6.8873 9.2573 9.2573 12.0888 12.0888 14.9383 14.9383 15.2226 15.2226 k = 0.5000 0.2858-0.0000 ( 2316 PWs) bands (ev): -21.0890 -21.0890 -10.0707 -10.0707 -9.8662 -9.8662 -5.5471 -5.5471 -4.8353 -4.8353 -4.5961 -4.5961 0.8695 0.8695 1.7903 1.7903 2.3509 2.3509 3.4557 3.4557 3.5950 3.5950 3.7648 3.7648 4.4618 4.4618 5.3673 5.3673 5.6591 5.6591 6.8871 6.8871 9.2590 9.2590 12.0296 12.0296 14.9314 14.9314 15.2116 15.2116 k = 0.5000 0.2953-0.0000 ( 2316 PWs) bands (ev): -21.0878 -21.0878 -10.0690 -10.0690 -9.8615 -9.8615 -5.5512 -5.5512 -4.8472 -4.8472 -4.5952 -4.5952 0.8774 0.8774 1.7815 1.7815 2.3504 2.3504 3.4502 3.4502 3.5922 3.5922 3.7568 3.7568 4.4775 4.4775 5.3459 5.3459 5.6936 5.6936 6.8871 6.8871 9.2606 9.2606 11.9692 11.9692 14.9178 14.9178 15.2101 15.2101 k = 0.5000 0.3048-0.0000 ( 2312 PWs) bands (ev): -21.0867 -21.0867 -10.0673 -10.0673 -9.8571 -9.8571 -5.5550 -5.5550 -4.8586 -4.8586 -4.5942 -4.5942 0.8850 0.8850 1.7730 1.7730 2.3501 2.3501 3.4449 3.4449 3.5894 3.5894 3.7492 3.7492 4.4920 4.4920 5.3257 5.3257 5.7282 5.7282 6.8871 6.8871 9.2621 9.2621 11.9082 11.9082 14.9005 14.9005 15.2148 15.2148 k = 0.5000 0.3143-0.0000 ( 2314 PWs) bands (ev): -21.0857 -21.0857 -10.0658 -10.0658 -9.8530 -9.8530 -5.5587 -5.5587 -4.8694 -4.8694 -4.5930 -4.5930 0.8920 0.8920 1.7651 1.7651 2.3498 2.3498 3.4398 3.4398 3.5868 3.5868 3.7420 3.7420 4.5054 4.5054 5.3068 5.3068 5.7625 5.7625 6.8872 6.8872 9.2635 9.2635 11.8477 11.8477 14.8818 14.8818 15.2230 15.2230 k = 0.5000 0.3239-0.0000 ( 2310 PWs) bands (ev): -21.0847 -21.0847 -10.0644 -10.0644 -9.8491 -9.8491 -5.5622 -5.5622 -4.8795 -4.8795 -4.5918 -4.5918 0.8984 0.8984 1.7577 1.7577 2.3496 2.3496 3.4349 3.4349 3.5844 3.5844 3.7352 3.7352 4.5175 4.5175 5.2893 5.2893 5.7960 5.7960 6.8873 6.8873 9.2648 9.2648 11.7885 11.7885 14.8634 14.8634 15.2328 15.2328 k = 0.5000 0.3334-0.0000 ( 2314 PWs) bands (ev): -21.0838 -21.0838 -10.0631 -10.0631 -9.8456 -9.8456 -5.5654 -5.5654 -4.8889 -4.8889 -4.5907 -4.5907 0.9044 0.9044 1.7509 1.7509 2.3494 2.3494 3.4304 3.4304 3.5821 3.5821 3.7288 3.7288 4.5284 4.5284 5.2733 5.2733 5.8282 5.8282 6.8876 6.8876 9.2660 9.2660 11.7316 11.7316 14.8463 14.8463 15.2431 15.2431 k = 0.5000 0.3429-0.0000 ( 2312 PWs) bands (ev): -21.0830 -21.0830 -10.0619 -10.0619 -9.8423 -9.8423 -5.5683 -5.5683 -4.8975 -4.8975 -4.5895 -4.5895 0.9097 0.9097 1.7447 1.7447 2.3493 2.3493 3.4262 3.4262 3.5801 3.5801 3.7230 3.7230 4.5380 4.5380 5.2588 5.2588 5.8587 5.8587 6.8878 6.8878 9.2671 9.2671 11.6779 11.6779 14.8309 14.8309 15.2530 15.2530 k = 0.5000 0.3524-0.0000 ( 2320 PWs) bands (ev): -21.0823 -21.0823 -10.0608 -10.0608 -9.8394 -9.8394 -5.5709 -5.5709 -4.9052 -4.9052 -4.5885 -4.5885 0.9145 0.9145 1.7392 1.7392 2.3493 2.3493 3.4225 3.4225 3.5782 3.5782 3.7178 3.7178 4.5465 4.5465 5.2458 5.2458 5.8870 5.8870 6.8882 6.8882 9.2680 9.2680 11.6281 11.6281 14.8173 14.8173 15.2622 15.2622 k = 0.5000 0.3620-0.0000 ( 2320 PWs) bands (ev): -21.0817 -21.0817 -10.0599 -10.0599 -9.8368 -9.8368 -5.5732 -5.5732 -4.9120 -4.9120 -4.5875 -4.5875 0.9186 0.9186 1.7343 1.7343 2.3493 2.3493 3.4191 3.4191 3.5766 3.5766 3.7131 3.7131 4.5537 4.5537 5.2345 5.2345 5.9127 5.9127 6.8885 6.8885 9.2689 9.2689 11.5832 11.5832 14.8058 14.8058 15.2705 15.2705 k = 0.5000 0.3715-0.0000 ( 2316 PWs) bands (ev): -21.0811 -21.0811 -10.0591 -10.0591 -9.8346 -9.8346 -5.5752 -5.5752 -4.9178 -4.9178 -4.5866 -4.5866 0.9222 0.9222 1.7302 1.7302 2.3493 2.3493 3.4163 3.4163 3.5753 3.5753 3.7091 3.7091 4.5598 4.5598 5.2248 5.2248 5.9352 5.9352 6.8889 6.8889 9.2696 9.2696 11.5439 11.5439 14.7962 14.7962 15.2776 15.2776 k = 0.5000 0.3810-0.0000 ( 2308 PWs) bands (ev): -21.0807 -21.0807 -10.0584 -10.0584 -9.8328 -9.8328 -5.5768 -5.5768 -4.9226 -4.9226 -4.5859 -4.5859 0.9251 0.9251 1.7268 1.7268 2.3493 2.3493 3.4139 3.4139 3.5741 3.5741 3.7058 3.7058 4.5647 4.5647 5.2169 5.2169 5.9542 5.9542 6.8893 6.8893 9.2702 9.2702 11.5107 11.5107 14.7885 14.7885 15.2835 15.2835 k = 0.5000 0.3905-0.0000 ( 2312 PWs) bands (ev): -21.0803 -21.0803 -10.0579 -10.0579 -9.8314 -9.8314 -5.5781 -5.5781 -4.9263 -4.9263 -4.5854 -4.5854 0.9274 0.9274 1.7241 1.7241 2.3493 2.3493 3.4120 3.4120 3.5733 3.5733 3.7032 3.7032 4.5686 4.5686 5.2106 5.2106 5.9694 5.9694 6.8896 6.8896 9.2707 9.2707 11.4843 11.4843 14.7825 14.7825 15.2881 15.2881 k = 0.5000 0.4001-0.0000 ( 2312 PWs) bands (ev): -21.0801 -21.0801 -10.0576 -10.0576 -9.8304 -9.8304 -5.5790 -5.5790 -4.9290 -4.9290 -4.5849 -4.5849 0.9290 0.9290 1.7222 1.7222 2.3493 2.3493 3.4107 3.4107 3.5726 3.5726 3.7013 3.7013 4.5713 4.5713 5.2062 5.2062 5.9804 5.9804 6.8899 6.8899 9.2710 9.2710 11.4651 11.4651 14.7784 14.7784 15.2913 15.2913 k = 0.5000 0.4096-0.0000 ( 2304 PWs) bands (ev): -21.0799 -21.0799 -10.0573 -10.0573 -9.8298 -9.8298 -5.5796 -5.5796 -4.9306 -4.9306 -4.5847 -4.5847 0.9300 0.9300 1.7210 1.7210 2.3493 2.3493 3.4099 3.4099 3.5722 3.5722 3.7001 3.7001 4.5729 4.5729 5.2035 5.2035 5.9871 5.9871 6.8900 6.8900 9.2712 9.2712 11.4535 11.4535 14.7759 14.7759 15.2933 15.2933 k = 0.5000 0.4191-0.0000 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.0573 -10.0573 -9.8296 -9.8296 -5.5798 -5.5798 -4.9312 -4.9312 -4.5846 -4.5846 0.9303 0.9303 1.7206 1.7206 2.3493 2.3493 3.4096 3.4096 3.5721 3.5721 3.6997 3.6997 4.5734 4.5734 5.2026 5.2026 5.9893 5.9893 6.8901 6.8901 9.2713 9.2713 11.4496 11.4496 14.7750 14.7750 15.2940 15.2940 k = 0.5000 0.4191-0.0000 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.0573 -10.0573 -9.8296 -9.8296 -5.5798 -5.5798 -4.9312 -4.9312 -4.5846 -4.5846 0.9303 0.9303 1.7206 1.7206 2.3493 2.3493 3.4096 3.4096 3.5721 3.5721 3.6997 3.6997 4.5734 4.5734 5.2026 5.2026 5.9893 5.9893 6.8901 6.8901 9.2713 9.2713 11.4496 11.4496 14.7750 14.7750 15.2940 15.2940 k = 0.4906 0.4191-0.0000 ( 2308 PWs) bands (ev): -21.0801 -21.0801 -10.0570 -10.0570 -9.8305 -9.8305 -5.5786 -5.5786 -4.9310 -4.9310 -4.5848 -4.5848 0.9318 0.9318 1.7207 1.7207 2.3455 2.3455 3.4116 3.4116 3.5710 3.5710 3.6961 3.6961 4.5792 4.5792 5.2046 5.2046 5.9895 5.9895 6.8883 6.8883 9.2698 9.2698 11.4496 11.4496 14.7630 14.7630 15.3081 15.3081 k = 0.4811 0.4191-0.0000 ( 2304 PWs) bands (ev): -21.0807 -21.0807 -10.0562 -10.0562 -9.8332 -9.8332 -5.5752 -5.5752 -4.9305 -4.9305 -4.5855 -4.5855 0.9363 0.9363 1.7209 1.7209 2.3342 2.3342 3.4161 3.4161 3.5669 3.5669 3.6872 3.6872 4.5959 4.5959 5.2104 5.2104 5.9898 5.9898 6.8831 6.8831 9.2652 9.2652 11.4498 11.4498 14.7302 14.7302 15.3470 15.3470 k = 0.4717 0.4191-0.0000 ( 2304 PWs) bands (ev): -21.0817 -21.0817 -10.0549 -10.0549 -9.8378 -9.8378 -5.5694 -5.5694 -4.9297 -4.9297 -4.5867 -4.5867 0.9437 0.9437 1.7212 1.7212 2.3164 2.3164 3.4192 3.4192 3.5577 3.5577 3.6804 3.6804 4.6220 4.6220 5.2201 5.2201 5.9903 5.9903 6.8744 6.8744 9.2576 9.2576 11.4501 11.4501 14.6833 14.6833 15.4038 15.4038 k = 0.4623 0.4191-0.0000 ( 2312 PWs) bands (ev): -21.0831 -21.0831 -10.0531 -10.0531 -9.8441 -9.8441 -5.5615 -5.5615 -4.9287 -4.9287 -4.5884 -4.5884 0.9541 0.9541 1.7212 1.7212 2.2935 2.2935 3.4147 3.4147 3.5409 3.5409 3.6851 3.6851 4.6555 4.6555 5.2334 5.2334 5.9911 5.9911 6.8622 6.8622 9.2471 9.2471 11.4504 11.4504 14.6282 14.6282 15.4726 15.4726 k = 0.4528 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.0850 -21.0850 -10.0508 -10.0508 -9.8522 -9.8522 -5.5513 -5.5513 -4.9273 -4.9273 -4.5905 -4.5905 0.9673 0.9673 1.7207 1.7207 2.2671 2.2671 3.3961 3.3961 3.5187 3.5187 3.7065 3.7065 4.6944 4.6944 5.2501 5.2501 5.9922 5.9922 6.8467 6.8467 9.2337 9.2337 11.4508 11.4508 14.5688 14.5688 15.5494 15.5494 k = 0.4434 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.0872 -21.0872 -10.0480 -10.0480 -9.8620 -9.8620 -5.5389 -5.5389 -4.9257 -4.9257 -4.5931 -4.5931 0.9834 0.9834 1.7192 1.7192 2.2388 2.2388 3.3608 3.3608 3.4960 3.4960 3.7431 3.7431 4.7369 4.7369 5.2701 5.2701 5.9937 5.9937 6.8280 6.8280 9.2176 9.2176 11.4511 11.4511 14.5073 14.5073 15.6316 15.6316 k = 0.4340 0.4191-0.0000 ( 2330 PWs) bands (ev): -21.0899 -21.0899 -10.0448 -10.0448 -9.8734 -9.8734 -5.5243 -5.5243 -4.9239 -4.9239 -4.5961 -4.5961 1.0022 1.0022 1.7162 1.7162 2.2104 2.2104 3.3111 3.3111 3.4747 3.4747 3.7914 3.7914 4.7814 4.7814 5.2931 5.2931 5.9956 5.9956 6.8060 6.8060 9.1988 9.1988 11.4514 11.4514 14.4449 14.4449 15.7178 15.7178 k = 0.4245 0.4191-0.0000 ( 2334 PWs) bands (ev): -21.0929 -21.0929 -10.0411 -10.0411 -9.8863 -9.8863 -5.5076 -5.5076 -4.9218 -4.9218 -4.5995 -4.5995 1.0236 1.0236 1.7110 1.7110 2.1835 2.1835 3.2516 3.2516 3.4538 3.4538 3.8482 3.8482 4.8267 4.8267 5.3189 5.3189 5.9980 5.9980 6.7811 6.7811 9.1777 9.1777 11.4515 11.4515 14.3826 14.3826 15.8069 15.8069 k = 0.4151 0.4191-0.0000 ( 2334 PWs) bands (ev): -21.0962 -21.0962 -10.0370 -10.0370 -9.9007 -9.9007 -5.4889 -5.4889 -4.9196 -4.9196 -4.6033 -4.6033 1.0474 1.0474 1.7030 1.7030 2.1596 2.1596 3.1859 3.1859 3.4323 3.4323 3.9112 3.9112 4.8718 4.8718 5.3471 5.3471 6.0010 6.0010 6.7531 6.7531 9.1542 9.1542 11.4514 11.4514 14.3205 14.3205 15.8980 15.8980 k = 0.4057 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.0999 -21.0999 -10.0325 -10.0325 -9.9165 -9.9165 -5.4681 -5.4681 -4.9171 -4.9171 -4.6075 -4.6075 1.0735 1.0735 1.6916 1.6916 2.1400 2.1400 3.1161 3.1161 3.4099 3.4099 3.9790 3.9790 4.9161 4.9161 5.3774 5.3774 6.0047 6.0047 6.7224 6.7224 9.1288 9.1288 11.4510 11.4510 14.2591 14.2591 15.9907 15.9907 k = 0.3962 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.1039 -21.1039 -10.0279 -10.0279 -9.9334 -9.9334 -5.4455 -5.4455 -4.9146 -4.9146 -4.6121 -4.6121 1.1014 1.1014 1.6765 1.6765 2.1258 2.1258 3.0439 3.0439 3.3866 3.3866 4.0502 4.0502 4.9588 4.9588 5.4094 5.4094 6.0093 6.0093 6.6891 6.6891 9.1016 9.1016 11.4503 11.4503 14.1983 14.1983 16.0843 16.0843 k = 0.3868 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.1083 -21.1083 -10.0233 -10.0233 -9.9511 -9.9511 -5.4210 -5.4210 -4.9120 -4.9120 -4.6170 -4.6170 1.1308 1.1308 1.6580 1.6580 2.1172 2.1172 2.9701 2.9701 3.3626 3.3626 4.1241 4.1241 4.9995 4.9995 5.4430 5.4430 6.0149 6.0149 6.6532 6.6532 9.0727 9.0727 11.4492 11.4492 14.1383 14.1383 16.1783 16.1783 k = 0.3774 0.4191-0.0000 ( 2318 PWs) bands (ev): -21.1129 -21.1129 -10.0195 -10.0195 -9.9688 -9.9688 -5.3949 -5.3949 -4.9092 -4.9092 -4.6222 -4.6222 1.1609 1.1609 1.6370 1.6370 2.1143 2.1143 2.8956 2.8956 3.3379 3.3379 4.1998 4.1998 5.0377 5.0377 5.4776 5.4776 6.0217 6.0217 6.6151 6.6151 9.0426 9.0426 11.4476 11.4476 14.0789 14.0789 16.2724 16.2724 k = 0.3679 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.1179 -21.1179 -10.0193 -10.0193 -9.9836 -9.9836 -5.3671 -5.3671 -4.9063 -4.9063 -4.6278 -4.6278 1.1908 1.1908 1.6149 1.6149 2.1166 2.1166 2.8212 2.8212 3.3129 3.3129 4.2770 4.2770 5.0733 5.0733 5.5128 5.5128 6.0298 6.0298 6.5748 6.5748 9.0115 9.0115 11.4455 11.4455 14.0202 14.0202 16.3661 16.3661 k = 0.3585 0.4191-0.0000 ( 2314 PWs) bands (ev): -21.1231 -21.1231 -10.0289 -10.0289 -9.9893 -9.9893 -5.3380 -5.3380 -4.9033 -4.9033 -4.6336 -4.6336 1.2188 1.2188 1.5939 1.5939 2.1234 2.1234 2.7476 2.7476 3.2877 3.2877 4.3550 4.3550 5.1059 5.1059 5.5482 5.5482 6.0396 6.0396 6.5327 6.5327 8.9798 8.9798 11.4427 11.4427 13.9621 13.9621 16.4591 16.4591 k = 0.3491 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.1285 -21.1285 -10.0473 -10.0473 -9.9868 -9.9868 -5.3076 -5.3076 -4.9001 -4.9001 -4.6396 -4.6396 1.2425 1.2425 1.5768 1.5768 2.1338 2.1338 2.6755 2.6755 3.2625 3.2625 4.4333 4.4333 5.1353 5.1353 5.5833 5.5833 6.0511 6.0511 6.4888 6.4888 8.9477 8.9477 11.4394 11.4394 13.9043 13.9043 16.5510 16.5510 k = 0.3396 0.4191-0.0000 ( 2322 PWs) bands (ev): -21.1342 -21.1342 -10.0694 -10.0694 -9.9811 -9.9811 -5.2762 -5.2762 -4.8965 -4.8965 -4.6458 -4.6458 1.2587 1.2587 1.5674 1.5674 2.1465 2.1465 2.6059 2.6059 3.2376 3.2376 4.5116 4.5116 5.1614 5.1614 5.6175 5.6175 6.0647 6.0647 6.4435 6.4435 8.9156 8.9156 11.4353 11.4353 13.8470 13.8470 16.6414 16.6414 k = 0.3302 0.4191-0.0000 ( 2314 PWs) bands (ev): -21.1401 -21.1401 -10.0931 -10.0931 -9.9743 -9.9743 -5.2440 -5.2440 -4.8926 -4.8926 -4.6522 -4.6522 1.2642 1.2642 1.5689 1.5689 2.1603 2.1603 2.5405 2.5405 3.2132 3.2132 4.5894 4.5894 5.1842 5.1842 5.6503 5.6503 6.0805 6.0805 6.3970 6.3970 8.8838 8.8838 11.4305 11.4305 13.7899 13.7899 16.7299 16.7300 k = 0.3208 0.4191-0.0000 ( 2314 PWs) bands (ev): -21.1462 -21.1462 -10.1177 -10.1177 -9.9667 -9.9667 -5.2115 -5.2115 -4.8881 -4.8881 -4.6588 -4.6588 1.2579 1.2579 1.5823 1.5823 2.1727 2.1727 2.4818 2.4818 3.1895 3.1895 4.6664 4.6664 5.2035 5.2035 5.6812 5.6812 6.0987 6.0987 6.3497 6.3497 8.8529 8.8529 11.4250 11.4250 13.7331 13.7331 16.7905 16.8157 k = 0.3113 0.4191-0.0000 ( 2314 PWs) bands (ev): -21.1524 -21.1524 -10.1431 -10.1431 -9.9588 -9.9588 -5.1789 -5.1789 -4.8826 -4.8826 -4.6654 -4.6654 1.2412 1.2412 1.6057 1.6057 2.1799 2.1799 2.4342 2.4342 3.1666 3.1666 4.7421 4.7421 5.2193 5.2193 5.7097 5.7097 6.1191 6.1191 6.3021 6.3021 8.8230 8.8230 11.4187 11.4187 13.6763 13.6763 16.8329 16.8329 k = 0.3019 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.1588 -21.1588 -10.1690 -10.1690 -9.9505 -9.9505 -5.1469 -5.1469 -4.8759 -4.8759 -4.6720 -4.6720 1.2172 1.2172 1.6353 1.6353 2.1762 2.1762 2.4041 2.4041 3.1448 3.1448 4.8162 4.8162 5.2316 5.2316 5.7354 5.7354 6.1409 6.1409 6.2555 6.2555 8.7948 8.7948 11.4116 11.4116 13.6195 13.6195 16.8786 16.8789 k = 0.2925 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.1653 -21.1653 -10.1953 -10.1953 -9.9420 -9.9420 -5.1163 -5.1163 -4.8672 -4.8672 -4.6786 -4.6786 1.1886 1.1886 1.6668 1.6668 2.1587 2.1587 2.3960 2.3960 3.1244 3.1244 4.8882 4.8882 5.2404 5.2404 5.7578 5.7578 6.1581 6.1581 6.2162 6.2162 8.7685 8.7685 11.4038 11.4038 13.5626 13.5626 16.8347 16.8347 k = 0.2830 0.4191-0.0000 ( 2306 PWs) bands (ev): -21.1719 -21.1719 -10.2219 -10.2219 -9.9333 -9.9333 -5.0880 -5.0880 -4.8560 -4.8560 -4.6849 -4.6849 1.1570 1.1570 1.6960 1.6960 2.1327 2.1327 2.4069 2.4069 3.1055 3.1055 4.9578 4.9578 5.2456 5.2456 5.7768 5.7768 6.1408 6.1408 6.2143 6.2143 8.7446 8.7446 11.3952 11.3952 13.5057 13.5057 16.7862 16.7862 k = 0.2736 0.4191-0.0000 ( 2306 PWs) bands (ev): -21.1785 -21.1785 -10.2486 -10.2486 -9.9245 -9.9245 -5.0629 -5.0629 -4.8415 -4.8415 -4.6910 -4.6910 1.1238 1.1238 1.7180 1.7180 2.1080 2.1080 2.4305 2.4305 3.0885 3.0885 5.0245 5.0245 5.2472 5.2472 5.7919 5.7919 6.0990 6.0990 6.2402 6.2402 8.7234 8.7234 11.3858 11.3858 13.4487 13.4487 16.7347 16.7347 k = 0.2642 0.4191-0.0000 ( 2306 PWs) bands (ev): -21.1852 -21.1852 -10.2753 -10.2753 -9.9155 -9.9155 -5.0419 -5.0419 -4.8234 -4.8234 -4.6962 -4.6962 1.0896 1.0896 1.7276 1.7276 2.0934 2.0934 2.4623 2.4623 3.0737 3.0737 5.0880 5.0880 5.2451 5.2451 5.8027 5.8027 6.0551 6.0551 6.2720 6.2720 8.7055 8.7055 11.3758 11.3758 13.3915 13.3915 16.6804 16.6804 k = 0.2547 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.1919 -21.1919 -10.3019 -10.3019 -9.9065 -9.9065 -5.0254 -5.0254 -4.8021 -4.8021 -4.6999 -4.6999 1.0550 1.0550 1.7216 1.7216 2.0937 2.0937 2.4999 2.4999 3.0614 3.0614 5.1477 5.1477 5.2395 5.2395 5.8085 5.8085 6.0135 6.0135 6.3062 6.3062 8.6910 8.6910 11.3650 11.3650 13.3343 13.3343 16.6236 16.6236 k = 0.2453 0.4191-0.0000 ( 2306 PWs) bands (ev): -21.1986 -21.1986 -10.3284 -10.3284 -9.8974 -9.8974 -5.0132 -5.0132 -4.7803 -4.7803 -4.6999 -4.6999 1.0203 1.0203 1.7011 1.7011 2.1081 2.1081 2.5423 2.5423 3.0519 3.0519 5.2014 5.2014 5.2321 5.2321 5.8078 5.8078 5.9766 5.9766 6.3418 6.3418 8.6804 8.6804 11.3536 11.3536 13.2769 13.2769 16.5644 16.5644 k = 0.2358 0.4191-0.0000 ( 2298 PWs) bands (ev): -21.2053 -21.2053 -10.3547 -10.3547 -9.8884 -9.8884 -5.0047 -5.0047 -4.7632 -4.7632 -4.6915 -4.6915 0.9856 0.9856 1.6703 1.6703 2.1324 2.1324 2.5888 2.5888 3.0457 3.0457 5.2120 5.2120 5.2596 5.2596 5.7988 5.7988 5.9471 5.9471 6.3783 6.3783 8.6740 8.6740 11.3415 11.3415 13.2196 13.2196 16.5031 16.5031 k = 0.2264 0.4191-0.0000 ( 2306 PWs) bands (ev): -21.2120 -21.2120 -10.3806 -10.3806 -9.8794 -9.8794 -4.9991 -4.9991 -4.7558 -4.7558 -4.6705 -4.6705 0.9511 0.9511 1.6337 1.6337 2.1615 2.1615 2.6393 2.6393 3.0431 3.0431 5.1949 5.1949 5.3060 5.3060 5.7805 5.7805 5.9264 5.9264 6.4152 6.4152 8.6719 8.6719 11.3290 11.3290 13.1623 13.1623 16.4395 16.4398 k = 0.2170 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.2185 -21.2185 -10.4061 -10.4061 -9.8705 -9.8705 -4.9957 -4.9957 -4.7558 -4.7558 -4.6401 -4.6401 0.9169 0.9169 1.5945 1.5945 2.1921 2.1921 2.6935 2.6935 3.0446 3.0446 5.1725 5.1725 5.3488 5.3488 5.7549 5.7549 5.9131 5.9131 6.4522 6.4522 8.6743 8.6743 11.3159 11.3159 13.1052 13.1052 16.3164 16.3167 k = 0.2075 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.2250 -21.2250 -10.4311 -10.4311 -9.8616 -9.8616 -4.9941 -4.9941 -4.7593 -4.7593 -4.6049 -4.6049 0.8830 0.8830 1.5547 1.5547 2.2217 2.2217 2.7512 2.7512 3.0506 3.0506 5.1455 5.1455 5.3869 5.3869 5.7254 5.7254 5.9044 5.9044 6.4890 6.4890 8.6813 8.6813 11.3024 11.3024 13.0484 13.0484 16.1784 16.1784 k = 0.1981 0.4191-0.0000 ( 2314 PWs) bands (ev): -21.2314 -21.2314 -10.4556 -10.4556 -9.8529 -9.8529 -4.9937 -4.9937 -4.7642 -4.7642 -4.5675 -4.5675 0.8497 0.8497 1.5154 1.5154 2.2487 2.2487 2.8120 2.8120 3.0616 3.0616 5.1141 5.1141 5.4202 5.4202 5.6947 5.6947 5.8976 5.8976 6.5253 6.5253 8.6929 8.6929 11.2885 11.2885 12.9920 12.9920 16.0444 16.0444 k = 0.1887 0.4191-0.0000 ( 2310 PWs) bands (ev): -21.2376 -21.2376 -10.4794 -10.4794 -9.8444 -9.8444 -4.9944 -4.9944 -4.7697 -4.7697 -4.5290 -4.5290 0.8169 0.8169 1.4776 1.4776 2.2725 2.2725 2.8752 2.8752 3.0779 3.0779 5.0784 5.0784 5.4482 5.4482 5.6647 5.6647 5.8913 5.8913 6.5610 6.5610 8.7089 8.7089 11.2744 11.2744 12.9362 12.9362 15.9149 15.9149 k = 0.1792 0.4191-0.0000 ( 2308 PWs) bands (ev): -21.2436 -21.2436 -10.5024 -10.5024 -9.8361 -9.8361 -4.9957 -4.9957 -4.7755 -4.7755 -4.4901 -4.4901 0.7847 0.7847 1.4416 1.4416 2.2925 2.2925 2.9398 2.9398 3.1003 3.1003 5.0388 5.0388 5.4709 5.4709 5.6366 5.6366 5.8849 5.8849 6.5959 6.5959 8.7292 8.7292 11.2600 11.2600 12.8812 12.8812 15.7901 15.7901 k = 0.1698 0.4191-0.0000 ( 2304 PWs) bands (ev): -21.2495 -21.2495 -10.5247 -10.5247 -9.8279 -9.8279 -4.9976 -4.9976 -4.7814 -4.7814 -4.4515 -4.4515 0.7533 0.7533 1.4077 1.4077 2.3087 2.3087 3.0042 3.0042 3.1298 3.1298 4.9955 4.9955 5.4874 5.4874 5.6113 5.6113 5.8779 5.8779 6.6297 6.6297 8.7534 8.7534 11.2455 11.2455 12.8272 12.8272 15.6703 15.6703 k = 0.1604 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.2552 -21.2552 -10.5462 -10.5462 -9.8201 -9.8201 -4.9998 -4.9998 -4.7872 -4.7872 -4.4133 -4.4133 0.7226 0.7226 1.3761 1.3761 2.3215 2.3215 3.0657 3.0657 3.1684 3.1684 4.9490 4.9490 5.4962 5.4962 5.5905 5.5905 5.8702 5.8702 6.6625 6.6625 8.7812 8.7812 11.2310 11.2310 12.7744 12.7744 15.5558 15.5558 k = 0.1509 0.4191-0.0000 ( 2294 PWs) bands (ev): -21.2606 -21.2606 -10.5667 -10.5667 -9.8125 -9.8125 -5.0024 -5.0024 -4.7929 -4.7929 -4.3759 -4.3759 0.6929 0.6929 1.3469 1.3469 2.3310 2.3310 3.1212 3.1212 3.2185 3.2185 4.8997 4.8997 5.4952 5.4952 5.5768 5.5768 5.8619 5.8619 6.6939 6.6939 8.8121 8.8121 11.2165 11.2165 12.7230 12.7230 15.4468 15.4468 k = 0.1415 0.4191-0.0000 ( 2294 PWs) bands (ev): -21.2659 -21.2659 -10.5863 -10.5863 -9.8053 -9.8053 -5.0052 -5.0052 -4.7984 -4.7984 -4.3397 -4.3397 0.6643 0.6643 1.3200 1.3200 2.3377 2.3377 3.1704 3.1704 3.2792 3.2792 4.8481 4.8481 5.4835 5.4835 5.5706 5.5706 5.8530 5.8530 6.7240 6.7240 8.8455 8.8455 11.2022 11.2022 12.6732 12.6732 15.3436 15.3436 k = 0.1321 0.4191-0.0000 ( 2300 PWs) bands (ev): -21.2708 -21.2708 -10.6048 -10.6048 -9.7984 -9.7984 -5.0081 -5.0081 -4.8037 -4.8037 -4.3047 -4.3047 0.6367 0.6367 1.2954 1.2954 2.3421 2.3421 3.2164 3.2164 3.3467 3.3467 4.7945 4.7945 5.4647 5.4647 5.5688 5.5688 5.8436 5.8436 6.7526 6.7526 8.8810 8.8810 11.1882 11.1882 12.6252 12.6252 15.2463 15.2463 k = 0.1226 0.4191-0.0000 ( 2296 PWs) bands (ev): -21.2755 -21.2755 -10.6223 -10.6223 -9.7918 -9.7918 -5.0110 -5.0110 -4.8088 -4.8088 -4.2712 -4.2712 0.6105 0.6105 1.2731 1.2731 2.3447 2.3447 3.2619 3.2619 3.4175 3.4175 4.7393 4.7393 5.4420 5.4420 5.5681 5.5681 5.8341 5.8341 6.7796 6.7796 8.9179 8.9179 11.1745 11.1745 12.5794 12.5794 15.1550 15.1550 k = 0.1132 0.4191-0.0000 ( 2296 PWs) bands (ev): -21.2799 -21.2799 -10.6387 -10.6387 -9.7856 -9.7856 -5.0139 -5.0139 -4.8136 -4.8136 -4.2394 -4.2394 0.5857 0.5857 1.2529 1.2529 2.3457 2.3457 3.3080 3.3080 3.4894 3.4894 4.6830 4.6830 5.4172 5.4172 5.5670 5.5670 5.8244 5.8244 6.8050 6.8050 8.9556 8.9556 11.1612 11.1612 12.5358 12.5358 15.0700 15.0700 k = 0.1038 0.4191-0.0000 ( 2300 PWs) bands (ev): -21.2841 -21.2841 -10.6539 -10.6539 -9.7799 -9.7799 -5.0168 -5.0168 -4.8182 -4.8182 -4.2095 -4.2095 0.5624 0.5624 1.2349 1.2349 2.3457 2.3457 3.3554 3.3554 3.5610 3.5610 4.6257 4.6257 5.3911 5.3911 5.5650 5.5650 5.8149 5.8149 6.8285 6.8285 8.9933 8.9933 11.1486 11.1486 12.4947 12.4947 14.9913 14.9913 k = 0.0943 0.4191-0.0000 ( 2300 PWs) bands (ev): -21.2879 -21.2879 -10.6679 -10.6679 -9.7746 -9.7746 -5.0195 -5.0195 -4.8224 -4.8224 -4.1816 -4.1816 0.5407 0.5407 1.2188 1.2188 2.3448 2.3448 3.4040 3.4040 3.6314 3.6314 4.5678 4.5678 5.3641 5.3641 5.5620 5.5620 5.8057 5.8057 6.8503 6.8503 9.0305 9.0305 11.1366 11.1366 12.4564 12.4564 14.9191 14.9191 k = 0.0849 0.4191-0.0000 ( 2300 PWs) bands (ev): -21.2913 -21.2913 -10.6807 -10.6807 -9.7697 -9.7697 -5.0221 -5.0221 -4.8262 -4.8262 -4.1559 -4.1559 0.5208 0.5208 1.2046 1.2046 2.3434 2.3434 3.4539 3.4539 3.6995 3.6995 4.5095 4.5095 5.3365 5.3365 5.5583 5.5583 5.7969 5.7969 6.8702 6.8702 9.0665 9.0665 11.1253 11.1253 12.4211 12.4211 14.8536 14.8536 k = 0.0755 0.4191-0.0000 ( 2298 PWs) bands (ev): -21.2945 -21.2945 -10.6923 -10.6923 -9.7653 -9.7653 -5.0246 -5.0246 -4.8297 -4.8297 -4.1325 -4.1325 0.5028 0.5028 1.1922 1.1922 2.3416 2.3416 3.5050 3.5050 3.7644 3.7644 4.4513 4.4513 5.3085 5.3085 5.5542 5.5542 5.7888 5.7888 6.8881 6.8881 9.1007 9.1007 11.1150 11.1150 12.3889 12.3889 14.7947 14.7947 k = 0.0660 0.4191-0.0000 ( 2296 PWs) bands (ev): -21.2973 -21.2973 -10.7025 -10.7025 -9.7613 -9.7613 -5.0267 -5.0267 -4.8328 -4.8328 -4.1115 -4.1115 0.4866 0.4866 1.1815 1.1815 2.3398 2.3398 3.5570 3.5570 3.8252 3.8252 4.3933 4.3933 5.2808 5.2808 5.5497 5.5497 5.7813 5.7813 6.9041 6.9041 9.1325 9.1325 11.1056 11.1056 12.3600 12.3600 14.7425 14.7425 k = 0.0566 0.4191-0.0000 ( 2296 PWs) bands (ev): -21.2997 -21.2997 -10.7114 -10.7114 -9.7579 -9.7579 -5.0287 -5.0287 -4.8356 -4.8356 -4.0931 -4.0931 0.4724 0.4724 1.1724 1.1724 2.3379 2.3379 3.6099 3.6099 3.8805 3.8805 4.3362 4.3362 5.2539 5.2539 5.5453 5.5453 5.7748 5.7748 6.9180 6.9180 9.1613 9.1613 11.0972 11.0972 12.3347 12.3347 14.6972 14.6972 k = 0.0472 0.4191-0.0000 ( 2298 PWs) bands (ev): -21.3018 -21.3018 -10.7190 -10.7190 -9.7550 -9.7550 -5.0304 -5.0304 -4.8380 -4.8380 -4.0774 -4.0774 0.4604 0.4604 1.1649 1.1649 2.3361 2.3361 3.6635 3.6635 3.9286 3.9286 4.2808 4.2808 5.2284 5.2284 5.5411 5.5411 5.7691 5.7691 6.9298 6.9298 9.1866 9.1866 11.0900 11.0900 12.3129 12.3129 14.6588 14.6588 k = 0.0377 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3035 -21.3035 -10.7253 -10.7253 -9.7526 -9.7526 -5.0318 -5.0318 -4.8399 -4.8399 -4.0644 -4.0644 0.4504 0.4504 1.1588 1.1588 2.3345 2.3345 3.7176 3.7176 3.9669 3.9669 4.2287 4.2287 5.2055 5.2055 5.5374 5.5374 5.7644 5.7644 6.9395 6.9395 9.2079 9.2079 11.0840 11.0840 12.2950 12.2950 14.6273 14.6273 k = 0.0283 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3049 -21.3049 -10.7301 -10.7301 -9.7507 -9.7507 -5.0329 -5.0329 -4.8414 -4.8414 -4.0542 -4.0542 0.4426 0.4426 1.1541 1.1541 2.3332 2.3332 3.7718 3.7718 3.9908 3.9908 4.1838 4.1838 5.1860 5.1860 5.5343 5.5343 5.7607 5.7607 6.9471 6.9471 9.2250 9.2250 11.0792 11.0792 12.2809 12.2809 14.6028 14.6028 k = 0.0189 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3058 -21.3058 -10.7336 -10.7336 -9.7493 -9.7493 -5.0338 -5.0338 -4.8425 -4.8425 -4.0469 -4.0469 0.4370 0.4370 1.1508 1.1508 2.3322 2.3322 3.8257 3.8257 3.9927 3.9927 4.1528 4.1528 5.1712 5.1712 5.5320 5.5320 5.7580 5.7580 6.9525 6.9525 9.2374 9.2374 11.0758 11.0758 12.2708 12.2708 14.5852 14.5852 k = 0.0094 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3064 -21.3064 -10.7357 -10.7357 -9.7485 -9.7485 -5.0342 -5.0342 -4.8431 -4.8431 -4.0425 -4.0425 0.4337 0.4337 1.1488 1.1488 2.3316 2.3316 3.8782 3.8782 3.9689 3.9689 4.1394 4.1394 5.1618 5.1618 5.5306 5.5306 5.7565 5.7565 6.9558 6.9558 9.2449 9.2449 11.0737 11.0737 12.2647 12.2647 14.5747 14.5747 k = 0.0000 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.7364 -10.7364 -9.7483 -9.7483 -5.0344 -5.0344 -4.8434 -4.8434 -4.0410 -4.0410 0.4325 0.4325 1.1482 1.1482 2.3314 2.3314 3.9259 3.9259 3.9292 3.9292 4.1366 4.1366 5.1586 5.1586 5.5301 5.5301 5.7559 5.7559 6.9569 6.9569 9.2475 9.2475 11.0730 11.0730 12.2627 12.2627 14.5712 14.5712 k = 0.0000 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.7364 -10.7364 -9.7483 -9.7483 -5.0344 -5.0344 -4.8434 -4.8434 -4.0410 -4.0410 0.4325 0.4325 1.1482 1.1482 2.3314 2.3314 3.9259 3.9259 3.9292 3.9292 4.1366 4.1366 5.1586 5.1586 5.5301 5.5301 5.7559 5.7559 6.9569 6.9569 9.2475 9.2475 11.0730 11.0730 12.2627 12.2627 14.5712 14.5712 k = 0.0000 0.4096-0.0000 ( 2298 PWs) bands (ev): -21.3066 -21.3066 -10.7363 -10.7363 -9.7485 -9.7485 -5.0341 -5.0341 -4.8430 -4.8430 -4.0410 -4.0410 0.4323 0.4323 1.1480 1.1480 2.3316 2.3316 3.9112 3.9112 3.9445 3.9445 4.1368 4.1368 5.1586 5.1586 5.5302 5.5302 5.7539 5.7539 6.9570 6.9570 9.2474 9.2474 11.0725 11.0725 12.2670 12.2670 14.5711 14.5711 k = 0.0000 0.4001-0.0000 ( 2298 PWs) bands (ev): -21.3068 -21.3068 -10.7361 -10.7361 -9.7491 -9.7491 -5.0332 -5.0332 -4.8421 -4.8421 -4.0412 -4.0412 0.4316 0.4316 1.1475 1.1475 2.3321 2.3321 3.8953 3.8953 3.9617 3.9617 4.1373 4.1373 5.1589 5.1589 5.5306 5.5306 5.7479 5.7479 6.9572 6.9572 9.2472 9.2472 11.0707 11.0707 12.2800 12.2800 14.5709 14.5709 k = 0.0000 0.3905-0.0000 ( 2294 PWs) bands (ev): -21.3072 -21.3072 -10.7357 -10.7357 -9.7500 -9.7500 -5.0316 -5.0316 -4.8405 -4.8405 -4.0414 -4.0414 0.4305 0.4305 1.1468 1.1468 2.3329 2.3329 3.8799 3.8799 3.9795 3.9795 4.1382 4.1382 5.1592 5.1592 5.5312 5.5312 5.7380 5.7380 6.9575 6.9575 9.2469 9.2469 11.0677 11.0677 12.3016 12.3016 14.5706 14.5706 k = 0.0000 0.3810-0.0000 ( 2294 PWs) bands (ev): -21.3077 -21.3077 -10.7351 -10.7351 -9.7514 -9.7514 -5.0295 -5.0295 -4.8384 -4.8384 -4.0418 -4.0418 0.4290 0.4290 1.1457 1.1457 2.3340 2.3340 3.8647 3.8647 3.9977 3.9977 4.1395 4.1395 5.1597 5.1597 5.5321 5.5321 5.7245 5.7245 6.9581 6.9581 9.2464 9.2464 11.0631 11.0631 12.3319 12.3319 14.5700 14.5700 k = 0.0000 0.3715-0.0000 ( 2290 PWs) bands (ev): -21.3083 -21.3083 -10.7343 -10.7343 -9.7532 -9.7532 -5.0267 -5.0267 -4.8356 -4.8356 -4.0422 -4.0422 0.4270 0.4270 1.1443 1.1443 2.3354 2.3354 3.8499 3.8499 4.0163 4.0163 4.1413 4.1413 5.1604 5.1604 5.5332 5.5332 5.7074 5.7074 6.9588 6.9588 9.2458 9.2458 11.0569 11.0569 12.3709 12.3709 14.5692 14.5692 k = 0.0000 0.3620-0.0000 ( 2294 PWs) bands (ev): -21.3090 -21.3090 -10.7334 -10.7334 -9.7553 -9.7553 -5.0234 -5.0234 -4.8322 -4.8322 -4.0428 -4.0428 0.4246 0.4246 1.1426 1.1426 2.3371 2.3371 3.8352 3.8352 4.0351 4.0351 4.1439 4.1439 5.1611 5.1611 5.5345 5.5345 5.6872 5.6872 6.9597 6.9597 9.2450 9.2450 11.0486 11.0486 12.4184 12.4184 14.5681 14.5681 k = 0.0000 0.3524-0.0000 ( 2294 PWs) bands (ev): -21.3099 -21.3099 -10.7323 -10.7323 -9.7578 -9.7578 -5.0195 -5.0195 -4.8283 -4.8283 -4.0434 -4.0434 0.4217 0.4217 1.1407 1.1407 2.3390 2.3390 3.8207 3.8207 4.0536 4.0536 4.1476 4.1476 5.1620 5.1620 5.5360 5.5360 5.6642 5.6642 6.9608 6.9608 9.2442 9.2442 11.0382 11.0382 12.4745 12.4745 14.5666 14.5666 k = 0.0000 0.3429-0.0000 ( 2296 PWs) bands (ev): -21.3109 -21.3109 -10.7311 -10.7311 -9.7607 -9.7607 -5.0150 -5.0150 -4.8238 -4.8238 -4.0441 -4.0441 0.4184 0.4184 1.1385 1.1385 2.3413 2.3413 3.8063 3.8063 4.0713 4.0713 4.1531 4.1531 5.1630 5.1630 5.5377 5.5377 5.6387 5.6387 6.9621 6.9621 9.2432 9.2432 11.0255 11.0255 12.5387 12.5387 14.5647 14.5647 k = 0.0000 0.3334-0.0000 ( 2300 PWs) bands (ev): -21.3120 -21.3120 -10.7298 -10.7298 -9.7638 -9.7638 -5.0100 -5.0100 -4.8188 -4.8188 -4.0449 -4.0449 0.4148 0.4148 1.1360 1.1360 2.3437 2.3437 3.7919 3.7919 4.0873 4.0873 4.1611 4.1611 5.1642 5.1642 5.5396 5.5396 5.6112 5.6112 6.9636 6.9636 9.2421 9.2421 11.0104 11.0104 12.6108 12.6108 14.5622 14.5622 k = 0.0000 0.3239-0.0000 ( 2293 PWs) bands (ev): -21.3132 -21.3132 -10.7283 -10.7283 -9.7673 -9.7673 -5.0045 -5.0045 -4.8132 -4.8132 -4.0458 -4.0458 0.4107 0.4107 1.1333 1.1333 2.3463 2.3463 3.7774 3.7774 4.1003 4.1003 4.1727 4.1727 5.1655 5.1655 5.5415 5.5415 5.5823 5.5823 6.9654 6.9654 9.2409 9.2409 10.9928 10.9928 12.6905 12.6905 14.5591 14.5591 k = 0.0000 0.3143-0.0000 ( 2297 PWs) bands (ev): -21.3145 -21.3145 -10.7267 -10.7267 -9.7711 -9.7711 -4.9985 -4.9985 -4.8072 -4.8072 -4.0468 -4.0468 0.4062 0.4062 1.1304 1.1304 2.3491 2.3491 3.7629 3.7629 4.1100 4.1100 4.1884 4.1884 5.1668 5.1668 5.5420 5.5420 5.5538 5.5538 6.9674 6.9674 9.2396 9.2396 10.9727 10.9727 12.7771 12.7771 14.5553 14.5553 k = 0.0000 0.3048-0.0000 ( 2305 PWs) bands (ev): -21.3159 -21.3159 -10.7250 -10.7250 -9.7751 -9.7751 -4.9921 -4.9921 -4.8007 -4.8007 -4.0478 -4.0478 0.4014 0.4014 1.1273 1.1273 2.3521 2.3521 3.7482 3.7482 4.1169 4.1169 4.2075 4.2075 5.1683 5.1683 5.5197 5.5197 5.5476 5.5476 6.9696 6.9696 9.2383 9.2383 10.9502 10.9502 12.8701 12.8701 14.5507 14.5507 k = 0.0000 0.2953-0.0000 ( 2307 PWs) bands (ev): -21.3174 -21.3174 -10.7232 -10.7232 -9.7794 -9.7794 -4.9852 -4.9852 -4.7938 -4.7938 -4.0489 -4.0489 0.3961 0.3961 1.1240 1.1240 2.3551 2.3551 3.7333 3.7333 4.1217 4.1217 4.2290 4.2290 5.1698 5.1698 5.4889 5.4889 5.5498 5.5498 6.9721 6.9721 9.2368 9.2368 10.9255 10.9255 12.9689 12.9689 14.5452 14.5452 k = 0.0000 0.2858-0.0000 ( 2311 PWs) bands (ev): -21.3190 -21.3190 -10.7213 -10.7213 -9.7839 -9.7839 -4.9779 -4.9779 -4.7865 -4.7865 -4.0500 -4.0500 0.3906 0.3906 1.1205 1.1205 2.3583 2.3583 3.7183 3.7183 4.1253 4.1253 4.2522 4.2522 5.1715 5.1715 5.4581 5.4581 5.5524 5.5524 6.9748 6.9748 9.2353 9.2353 10.8985 10.8985 13.0728 13.0728 14.5387 14.5387 k = 0.0000 0.2762-0.0000 ( 2311 PWs) bands (ev): -21.3207 -21.3207 -10.7193 -10.7193 -9.7886 -9.7886 -4.9702 -4.9702 -4.7788 -4.7788 -4.0512 -4.0512 0.3847 0.3847 1.1170 1.1170 2.3615 2.3615 3.7030 3.7030 4.1281 4.1281 4.2763 4.2763 5.1732 5.1732 5.4278 5.4278 5.5552 5.5552 6.9776 6.9776 9.2337 9.2337 10.8696 10.8696 13.1811 13.1811 14.5313 14.5313 k = 0.0000 0.2667-0.0000 ( 2319 PWs) bands (ev): -21.3224 -21.3224 -10.7173 -10.7173 -9.7935 -9.7935 -4.9622 -4.9622 -4.7708 -4.7708 -4.0525 -4.0525 0.3785 0.3785 1.1133 1.1133 2.3647 2.3647 3.6875 3.6875 4.1303 4.1303 4.3009 4.3009 5.1750 5.1750 5.3987 5.3987 5.5580 5.5580 6.9807 6.9807 9.2320 9.2320 10.8388 10.8388 13.2928 13.2928 14.5229 14.5229 k = 0.0000 0.2572-0.0000 ( 2319 PWs) bands (ev): -21.3242 -21.3242 -10.7152 -10.7152 -9.7985 -9.7985 -4.9539 -4.9539 -4.7625 -4.7625 -4.0537 -4.0537 0.3721 0.3721 1.1095 1.1095 2.3678 2.3678 3.6719 3.6719 4.1321 4.1321 4.3257 4.3257 5.1768 5.1768 5.3711 5.3711 5.5610 5.5610 6.9839 6.9839 9.2304 9.2304 10.8064 10.8064 13.4072 13.4072 14.5134 14.5134 k = 0.0000 0.2477-0.0000 ( 2323 PWs) bands (ev): -21.3260 -21.3260 -10.7131 -10.7131 -9.8036 -9.8036 -4.9454 -4.9454 -4.7540 -4.7540 -4.0550 -4.0550 0.3653 0.3653 1.1056 1.1056 2.3709 2.3709 3.6560 3.6560 4.1336 4.1336 4.3504 4.3504 5.1786 5.1786 5.3454 5.3454 5.5640 5.5640 6.9873 6.9873 9.2286 9.2286 10.7725 10.7725 13.5233 13.5233 14.5031 14.5031 k = 0.0000 0.2381-0.0000 ( 2331 PWs) bands (ev): -21.3279 -21.3279 -10.7109 -10.7109 -9.8089 -9.8089 -4.9367 -4.9367 -4.7453 -4.7453 -4.0563 -4.0563 0.3584 0.3584 1.1017 1.1017 2.3738 2.3738 3.6400 3.6400 4.1348 4.1348 4.3747 4.3747 5.1804 5.1804 5.3221 5.3221 5.5671 5.5671 6.9908 6.9908 9.2269 9.2269 10.7373 10.7373 13.6398 13.6398 14.4921 14.4921 k = 0.0000 0.2286-0.0000 ( 2333 PWs) bands (ev): -21.3298 -21.3298 -10.7087 -10.7087 -9.8142 -9.8142 -4.9278 -4.9278 -4.7363 -4.7363 -4.0577 -4.0577 0.3512 0.3512 1.0978 1.0978 2.3766 2.3766 3.6239 3.6239 4.1357 4.1357 4.3983 4.3983 5.1820 5.1820 5.3015 5.3015 5.5701 5.5701 6.9944 6.9944 9.2251 9.2251 10.7011 10.7011 13.7554 13.7554 14.4810 14.4810 k = 0.0000 0.2191-0.0000 ( 2335 PWs) bands (ev): -21.3317 -21.3317 -10.7065 -10.7065 -9.8195 -9.8195 -4.9187 -4.9187 -4.7273 -4.7273 -4.0590 -4.0590 0.3439 0.3439 1.0938 1.0938 2.3792 2.3792 3.6078 3.6078 4.1364 4.1364 4.4210 4.4210 5.1834 5.1834 5.2841 5.2841 5.5732 5.5732 6.9981 6.9981 9.2233 9.2233 10.6640 10.6640 13.8683 13.8683 14.4704 14.4704 k = 0.0000 0.2096-0.0000 ( 2327 PWs) bands (ev): -21.3336 -21.3336 -10.7044 -10.7044 -9.8248 -9.8248 -4.9096 -4.9096 -4.7181 -4.7181 -4.0603 -4.0603 0.3364 0.3364 1.0899 1.0899 2.3815 2.3815 3.5918 3.5918 4.1369 4.1369 4.4425 4.4425 5.1844 5.1844 5.2701 5.2701 5.5763 5.5763 7.0019 7.0019 9.2215 9.2215 10.6263 10.6263 13.9758 13.9758 14.4622 14.4622 k = 0.0000 0.2000-0.0000 ( 2323 PWs) bands (ev): -21.3355 -21.3355 -10.7022 -10.7022 -9.8301 -9.8301 -4.9005 -4.9005 -4.7089 -4.7089 -4.0616 -4.0616 0.3288 0.3288 1.0860 1.0860 2.3836 2.3836 3.5758 3.5758 4.1371 4.1371 4.4627 4.4627 5.1849 5.1849 5.2600 5.2600 5.5793 5.5793 7.0057 7.0057 9.2197 9.2197 10.5881 10.5881 14.0736 14.0736 14.4593 14.4593 k = 0.0000 0.1905-0.0000 ( 2323 PWs) bands (ev): -21.3374 -21.3374 -10.7000 -10.7000 -9.8354 -9.8354 -4.8914 -4.8914 -4.6997 -4.6997 -4.0629 -4.0629 0.3212 0.3212 1.0822 1.0822 2.3853 2.3853 3.5601 3.5601 4.1371 4.1371 4.4813 4.4813 5.1847 5.1847 5.2539 5.2539 5.5823 5.5823 7.0095 7.0095 9.2179 9.2179 10.5498 10.5498 14.1545 14.1545 14.4680 14.4680 k = 0.0000 0.1810-0.0000 ( 2323 PWs) bands (ev): -21.3393 -21.3393 -10.6979 -10.6979 -9.8406 -9.8406 -4.8824 -4.8824 -4.6906 -4.6906 -4.0642 -4.0642 0.3135 0.3135 1.0784 1.0784 2.3868 2.3868 3.5446 3.5446 4.1369 4.1369 4.4982 4.4982 5.1839 5.1839 5.2517 5.2517 5.5852 5.5852 7.0133 7.0133 9.2161 9.2161 10.5114 10.5114 14.2089 14.2089 14.4966 14.4966 k = 0.0000 0.1715-0.0000 ( 2319 PWs) bands (ev): -21.3411 -21.3411 -10.6959 -10.6959 -9.8457 -9.8457 -4.8734 -4.8734 -4.6815 -4.6815 -4.0654 -4.0654 0.3059 0.3059 1.0747 1.0747 2.3879 2.3879 3.5296 3.5296 4.1365 4.1365 4.5134 4.5134 5.1829 5.1829 5.2530 5.2530 5.5880 5.5880 7.0170 7.0170 9.2144 9.2144 10.4732 10.4732 14.2333 14.2333 14.5471 14.5471 k = 0.0000 0.1619-0.0000 ( 2319 PWs) bands (ev): -21.3429 -21.3429 -10.6939 -10.6939 -9.8507 -9.8507 -4.8647 -4.8647 -4.6726 -4.6726 -4.0666 -4.0666 0.2983 0.2983 1.0711 1.0711 2.3887 2.3887 3.5150 3.5150 4.1359 4.1359 4.5267 4.5267 5.1820 5.1820 5.2572 5.2572 5.5908 5.5908 7.0207 7.0207 9.2127 9.2127 10.4355 10.4355 14.2360 14.2360 14.6101 14.6101 k = 0.0000 0.1524-0.0000 ( 2327 PWs) bands (ev): -21.3447 -21.3447 -10.6919 -10.6919 -9.8556 -9.8556 -4.8562 -4.8562 -4.6639 -4.6639 -4.0678 -4.0678 0.2908 0.2908 1.0677 1.0677 2.3891 2.3891 3.5010 3.5010 4.1351 4.1351 4.5384 4.5384 5.1815 5.1815 5.2638 5.2638 5.5934 5.5934 7.0243 7.0243 9.2111 9.2111 10.3984 10.3984 14.2266 14.2266 14.6741 14.6741 k = 0.0000 0.1429-0.0000 ( 2327 PWs) bands (ev): -21.3464 -21.3464 -10.6901 -10.6901 -9.8602 -9.8602 -4.8480 -4.8480 -4.6554 -4.6554 -4.0689 -4.0689 0.2835 0.2835 1.0644 1.0644 2.3892 2.3892 3.4876 3.4876 4.1342 4.1342 4.5484 4.5484 5.1814 5.1814 5.2725 5.2725 5.5959 5.5959 7.0278 7.0278 9.2095 9.2095 10.3621 10.3621 14.2109 14.2109 14.7316 14.7316 k = 0.0000 0.1334-0.0000 ( 2325 PWs) bands (ev): -21.3480 -21.3480 -10.6883 -10.6883 -9.8647 -9.8647 -4.8401 -4.8401 -4.6471 -4.6471 -4.0700 -4.0700 0.2764 0.2764 1.0612 1.0612 2.3889 2.3889 3.4749 3.4749 4.1332 4.1332 4.5569 4.5569 5.1817 5.1817 5.2830 5.2830 5.5983 5.5983 7.0312 7.0312 9.2079 9.2079 10.3270 10.3270 14.1920 14.1920 14.7777 14.7777 k = 0.0000 0.1238-0.0000 ( 2323 PWs) bands (ev): -21.3496 -21.3496 -10.6866 -10.6866 -9.8690 -9.8690 -4.8325 -4.8325 -4.6392 -4.6392 -4.0710 -4.0710 0.2695 0.2695 1.0582 1.0582 2.3884 2.3884 3.4631 3.4631 4.1320 4.1320 4.5641 4.5641 5.1823 5.1823 5.2947 5.2947 5.6006 5.6006 7.0345 7.0345 9.2065 9.2065 10.2931 10.2931 14.1714 14.1714 14.8098 14.8098 k = 0.0000 0.1143-0.0000 ( 2327 PWs) bands (ev): -21.3511 -21.3511 -10.6850 -10.6850 -9.8730 -9.8730 -4.8253 -4.8253 -4.6316 -4.6316 -4.0720 -4.0720 0.2628 0.2628 1.0553 1.0553 2.3876 2.3876 3.4520 3.4520 4.1308 4.1308 4.5701 4.5701 5.1831 5.1831 5.3075 5.3075 5.6028 5.6028 7.0375 7.0375 9.2050 9.2050 10.2607 10.2607 14.1501 14.1501 14.8280 14.8280 k = 0.0000 0.1048-0.0000 ( 2321 PWs) bands (ev): -21.3525 -21.3525 -10.6835 -10.6835 -9.8768 -9.8768 -4.8186 -4.8186 -4.6245 -4.6245 -4.0728 -4.0728 0.2565 0.2565 1.0527 1.0527 2.3866 2.3866 3.4418 3.4418 4.1296 4.1296 4.5751 4.5751 5.1840 5.1840 5.3208 5.3208 5.6048 5.6048 7.0404 7.0404 9.2037 9.2037 10.2300 10.2300 14.1289 14.1289 14.8351 14.8351 k = 0.0000 0.0953-0.0000 ( 2321 PWs) bands (ev): -21.3538 -21.3538 -10.6821 -10.6821 -9.8803 -9.8803 -4.8123 -4.8123 -4.6178 -4.6178 -4.0737 -4.0737 0.2506 0.2506 1.0502 1.0502 2.3854 2.3854 3.4325 3.4325 4.1284 4.1284 4.5793 4.5793 5.1849 5.1849 5.3345 5.3345 5.6067 5.6067 7.0431 7.0431 9.2025 9.2025 10.2012 10.2012 14.1082 14.1082 14.8346 14.8346 k = 0.0000 0.0857-0.0000 ( 2321 PWs) bands (ev): -21.3550 -21.3550 -10.6809 -10.6809 -9.8836 -9.8836 -4.8065 -4.8065 -4.6116 -4.6116 -4.0744 -4.0744 0.2451 0.2451 1.0480 1.0480 2.3841 2.3841 3.4241 3.4241 4.1272 4.1272 4.5827 4.5827 5.1858 5.1858 5.3480 5.3480 5.6084 5.6084 7.0456 7.0456 9.2013 9.2013 10.1745 10.1745 14.0884 14.0884 14.8296 14.8296 k = 0.0000 0.0762-0.0000 ( 2317 PWs) bands (ev): -21.3560 -21.3560 -10.6797 -10.6797 -9.8865 -9.8865 -4.8013 -4.8013 -4.6059 -4.6059 -4.0751 -4.0751 0.2401 0.2401 1.0460 1.0460 2.3828 2.3828 3.4166 3.4166 4.1260 4.1260 4.5855 4.5855 5.1867 5.1867 5.3611 5.3611 5.6100 5.6100 7.0479 7.0479 9.2003 9.2003 10.1501 10.1501 14.0699 14.0699 14.8220 14.8220 k = 0.0000 0.0667-0.0000 ( 2319 PWs) bands (ev): -21.3570 -21.3570 -10.6787 -10.6787 -9.8891 -9.8891 -4.7966 -4.7966 -4.6008 -4.6008 -4.0757 -4.0757 0.2356 0.2356 1.0441 1.0441 2.3814 2.3814 3.4101 3.4101 4.1249 4.1249 4.5879 4.5879 5.1875 5.1875 5.3735 5.3735 5.6114 5.6114 7.0499 7.0499 9.1994 9.1994 10.1281 10.1281 14.0530 14.0530 14.8135 14.8135 k = 0.0000 0.0572-0.0000 ( 2319 PWs) bands (ev): -21.3579 -21.3579 -10.6778 -10.6778 -9.8914 -9.8914 -4.7925 -4.7925 -4.5963 -4.5963 -4.0762 -4.0762 0.2316 0.2316 1.0426 1.0426 2.3801 2.3801 3.4044 3.4044 4.1239 4.1239 4.5898 4.5898 5.1882 5.1882 5.3847 5.3847 5.6126 5.6126 7.0517 7.0517 9.1986 9.1986 10.1087 10.1087 14.0378 14.0378 14.8048 14.8048 k = 0.0000 0.0476-0.0000 ( 2327 PWs) bands (ev): -21.3586 -21.3586 -10.6771 -10.6771 -9.8934 -9.8934 -4.7890 -4.7890 -4.5925 -4.5925 -4.0767 -4.0767 0.2281 0.2281 1.0412 1.0412 2.3789 2.3789 3.3996 3.3996 4.1231 4.1231 4.5913 4.5913 5.1888 5.1888 5.3947 5.3947 5.6137 5.6137 7.0532 7.0532 9.1979 9.1979 10.0920 10.0920 14.0246 14.0246 14.7967 14.7967 k = 0.0000 0.0381-0.0000 ( 2323 PWs) bands (ev): -21.3592 -21.3592 -10.6764 -10.6764 -9.8950 -9.8950 -4.7861 -4.7861 -4.5893 -4.5893 -4.0770 -4.0770 0.2253 0.2253 1.0401 1.0401 2.3778 2.3778 3.3958 3.3958 4.1223 4.1223 4.5925 4.5925 5.1893 5.1893 5.4032 5.4032 5.6146 5.6146 7.0545 7.0545 9.1973 9.1973 10.0782 10.0782 14.0136 14.0136 14.7896 14.7896 k = 0.0000 0.0286-0.0000 ( 2315 PWs) bands (ev): -21.3596 -21.3596 -10.6760 -10.6760 -9.8962 -9.8962 -4.7838 -4.7838 -4.5868 -4.5868 -4.0773 -4.0773 0.2230 0.2230 1.0392 1.0392 2.3769 2.3769 3.3928 3.3928 4.1217 4.1217 4.5934 4.5934 5.1897 5.1897 5.4100 5.4100 5.6153 5.6153 7.0555 7.0555 9.1969 9.1969 10.0673 10.0673 14.0049 14.0049 14.7838 14.7838 k = 0.0000 0.0191-0.0000 ( 2311 PWs) bands (ev): -21.3600 -21.3600 -10.6756 -10.6756 -9.8972 -9.8972 -4.7822 -4.7822 -4.5849 -4.5849 -4.0775 -4.0775 0.2214 0.2214 1.0386 1.0386 2.3763 2.3763 3.3906 3.3906 4.1213 4.1213 4.5940 4.5940 5.1900 5.1900 5.4149 5.4149 5.6158 5.6158 7.0562 7.0562 9.1965 9.1965 10.0595 10.0595 13.9986 13.9986 14.7796 14.7796 k = 0.0000 0.0095-0.0000 ( 2309 PWs) bands (ev): -21.3602 -21.3602 -10.6754 -10.6754 -9.8977 -9.8977 -4.7812 -4.7812 -4.5839 -4.5839 -4.0776 -4.0776 0.2204 0.2204 1.0382 1.0382 2.3759 2.3759 3.3894 3.3894 4.1210 4.1210 4.5944 4.5944 5.1902 5.1902 5.4179 5.4179 5.6161 5.6161 7.0566 7.0566 9.1964 9.1964 10.0548 10.0548 13.9948 13.9948 14.7769 14.7769 k = 0.0000 0.0000 0.0000 ( 2303 PWs) bands (ev): -21.3602 -21.3602 -10.6753 -10.6753 -9.8979 -9.8979 -4.7808 -4.7808 -4.5835 -4.5835 -4.0777 -4.0777 0.2201 0.2201 1.0381 1.0381 2.3757 2.3757 3.3889 3.3889 4.1210 4.1210 4.5945 4.5945 5.1902 5.1902 5.4189 5.4189 5.6162 5.6162 7.0567 7.0567 9.1963 9.1963 10.0532 10.0532 13.9935 13.9935 14.7760 14.7760 k = 0.0000 0.0000 0.0000 ( 2303 PWs) bands (ev): -21.3602 -21.3602 -10.6753 -10.6753 -9.8979 -9.8979 -4.7808 -4.7808 -4.5835 -4.5835 -4.0777 -4.0777 0.2201 0.2201 1.0381 1.0381 2.3757 2.3757 3.3889 3.3889 4.1210 4.1210 4.5945 4.5945 5.1902 5.1902 5.4189 5.4189 5.6162 5.6162 7.0567 7.0567 9.1963 9.1963 10.0532 10.0532 13.9935 13.9935 14.7760 14.7760 k = 0.0000 0.0000 0.0095 ( 2305 PWs) bands (ev): -21.3602 -21.3602 -10.6754 -10.6754 -9.8978 -9.8978 -4.7810 -4.7810 -4.5836 -4.5836 -4.0777 -4.0777 0.2210 0.2210 1.0385 1.0385 2.3759 2.3759 3.3892 3.3892 4.1212 4.1212 4.5946 4.5946 5.1901 5.1901 5.4183 5.4183 5.6132 5.6132 7.0570 7.0570 9.1962 9.1962 10.0569 10.0569 13.9931 13.9931 14.7674 14.7674 k = 0.0000 0.0000 0.0190 ( 2299 PWs) bands (ev): -21.3602 -21.3602 -10.6755 -10.6755 -9.8977 -9.8977 -4.7813 -4.7813 -4.5839 -4.5839 -4.0777 -4.0777 0.2236 0.2236 1.0396 1.0396 2.3765 2.3765 3.3899 3.3899 4.1220 4.1220 4.5949 4.5949 5.1896 5.1896 5.4167 5.4167 5.6041 5.6041 7.0577 7.0577 9.1960 9.1960 10.0676 10.0676 13.9919 13.9919 14.7421 14.7421 k = 0.0000 0.0000 0.0285 ( 2303 PWs) bands (ev): -21.3602 -21.3602 -10.6757 -10.6757 -9.8976 -9.8976 -4.7819 -4.7819 -4.5845 -4.5845 -4.0778 -4.0778 0.2279 0.2279 1.0413 1.0413 2.3774 2.3774 3.3912 3.3912 4.1233 4.1233 4.5955 4.5955 5.1888 5.1888 5.4139 5.4139 5.5891 5.5891 7.0589 7.0589 9.1956 9.1956 10.0854 10.0854 13.9899 13.9899 14.7015 14.7015 k = 0.0000 0.0000 0.0381 ( 2310 PWs) bands (ev): -21.3602 -21.3602 -10.6760 -10.6760 -9.8974 -9.8974 -4.7827 -4.7827 -4.5853 -4.5853 -4.0779 -4.0779 0.2338 0.2338 1.0438 1.0438 2.3787 2.3787 3.3929 3.3929 4.1252 4.1252 4.5962 4.5962 5.1877 5.1877 5.4100 5.4100 5.5686 5.5686 7.0604 7.0604 9.1951 9.1951 10.1099 10.1099 13.9868 13.9868 14.6478 14.6478 k = 0.0000 0.0000 0.0476 ( 2310 PWs) bands (ev): -21.3602 -21.3602 -10.6764 -10.6764 -9.8971 -9.8971 -4.7838 -4.7838 -4.5862 -4.5862 -4.0781 -4.0781 0.2413 0.2413 1.0471 1.0471 2.3803 2.3803 3.3950 3.3950 4.1275 4.1275 4.5971 4.5971 5.1861 5.1861 5.4051 5.4051 5.5430 5.5430 7.0624 7.0624 9.1944 9.1944 10.1408 10.1408 13.9827 13.9827 14.5834 14.5834 k = 0.0000 0.0000 0.0571 ( 2312 PWs) bands (ev): -21.3601 -21.3601 -10.6768 -10.6768 -9.8968 -9.8968 -4.7850 -4.7850 -4.5874 -4.5874 -4.0782 -4.0782 0.2502 0.2502 1.0510 1.0510 2.3822 2.3822 3.3976 3.3976 4.1304 4.1304 4.5981 4.5981 5.1840 5.1840 5.3991 5.3991 5.5130 5.5130 7.0648 7.0648 9.1937 9.1937 10.1777 10.1777 13.9771 13.9771 14.5106 14.5106 k = 0.0000 0.0000 0.0666 ( 2318 PWs) bands (ev): -21.3601 -21.3601 -10.6774 -10.6774 -9.8964 -9.8964 -4.7865 -4.7865 -4.5887 -4.5887 -4.0784 -4.0784 0.2604 0.2604 1.0556 1.0556 2.3844 2.3844 3.4005 3.4005 4.1338 4.1338 4.5992 4.5992 5.1812 5.1812 5.3922 5.3922 5.4794 5.4794 7.0674 7.0674 9.1928 9.1928 10.2201 10.2201 13.9697 13.9697 14.4319 14.4319 k = 0.0000 0.0000 0.0761 ( 2320 PWs) bands (ev): -21.3601 -21.3601 -10.6779 -10.6779 -9.8960 -9.8960 -4.7881 -4.7881 -4.5901 -4.5901 -4.0787 -4.0787 0.2718 0.2718 1.0609 1.0609 2.3868 2.3868 3.4039 3.4039 4.1378 4.1378 4.6002 4.6002 5.1774 5.1774 5.3840 5.3840 5.4433 5.4433 7.0704 7.0704 9.1917 9.1917 10.2675 10.2675 13.9593 13.9593 14.3502 14.3502 k = 0.0000 0.0000 0.0856 ( 2324 PWs) bands (ev): -21.3601 -21.3601 -10.6786 -10.6786 -9.8956 -9.8956 -4.7899 -4.7899 -4.5917 -4.5917 -4.0789 -4.0789 0.2841 0.2841 1.0669 1.0669 2.3895 2.3895 3.4075 3.4075 4.1423 4.1423 4.6011 4.6011 5.1723 5.1723 5.3731 5.3731 5.4073 5.4073 7.0735 7.0735 9.1906 9.1906 10.3192 10.3192 13.9442 13.9442 14.2689 14.2689 k = 0.0000 0.0000 0.0951 ( 2320 PWs) bands (ev): -21.3600 -21.3600 -10.6793 -10.6793 -9.8951 -9.8951 -4.7918 -4.7918 -4.5933 -4.5933 -4.0792 -4.0792 0.2973 0.2973 1.0736 1.0736 2.3924 2.3924 3.4115 3.4115 4.1474 4.1474 4.6017 4.6017 5.1650 5.1650 5.3525 5.3525 5.3801 5.3801 7.0769 7.0769 9.1895 9.1895 10.3748 10.3748 13.9208 13.9208 14.1928 14.1928 k = 0.0000 0.0000 0.1047 ( 2324 PWs) bands (ev): -21.3600 -21.3600 -10.6800 -10.6800 -9.8946 -9.8946 -4.7938 -4.7938 -4.5950 -4.5950 -4.0794 -4.0794 0.3110 0.3110 1.0809 1.0809 2.3955 2.3955 3.4156 3.4156 4.1530 4.1530 4.6020 4.6020 5.1544 5.1544 5.3196 5.3196 5.3662 5.3662 7.0803 7.0803 9.1882 9.1882 10.4336 10.4336 13.8839 13.8839 14.1286 14.1286 k = 0.0000 0.0000 0.1142 ( 2326 PWs) bands (ev): -21.3599 -21.3599 -10.6807 -10.6807 -9.8940 -9.8940 -4.7960 -4.7960 -4.5967 -4.5967 -4.0797 -4.0797 0.3252 0.3252 1.0888 1.0888 2.3987 2.3987 3.4199 3.4199 4.1592 4.1592 4.6017 4.6017 5.1385 5.1385 5.2869 5.2869 5.3558 5.3558 7.0838 7.0838 9.1870 9.1870 10.4949 10.4949 13.8289 13.8289 14.0817 14.0817 k = 0.0000 0.0000 0.1237 ( 2330 PWs) bands (ev): -21.3599 -21.3599 -10.6815 -10.6815 -9.8935 -9.8935 -4.7982 -4.7982 -4.5984 -4.5984 -4.0800 -4.0800 0.3395 0.3395 1.0971 1.0971 2.4019 2.4019 3.4244 3.4244 4.1661 4.1661 4.6006 4.6006 5.1157 5.1157 5.2599 5.2599 5.3463 5.3463 7.0874 7.0874 9.1857 9.1857 10.5583 10.5583 13.7580 13.7580 14.0511 14.0511 k = 0.0000 0.0000 0.1332 ( 2330 PWs) bands (ev): -21.3599 -21.3599 -10.6822 -10.6822 -9.8930 -9.8930 -4.8004 -4.8004 -4.6001 -4.6001 -4.0803 -4.0803 0.3538 0.3538 1.1060 1.1060 2.4052 2.4052 3.4289 3.4289 4.1737 4.1737 4.5983 4.5983 5.0858 5.0858 5.2401 5.2401 5.3371 5.3371 7.0909 7.0909 9.1843 9.1843 10.6229 10.6229 13.6774 13.6774 14.0313 14.0313 k = 0.0000 0.0000 0.1427 ( 2326 PWs) bands (ev): -21.3598 -21.3598 -10.6830 -10.6830 -9.8924 -9.8924 -4.8026 -4.8026 -4.6017 -4.6017 -4.0805 -4.0805 0.3679 0.3679 1.1152 1.1152 2.4085 2.4085 3.4334 3.4334 4.1819 4.1819 4.5946 4.5946 5.0509 5.0509 5.2262 5.2262 5.3282 5.3282 7.0943 7.0943 9.1830 9.1830 10.6883 10.6883 13.5925 13.5925 14.0177 14.0177 k = 0.0000 0.0000 0.1522 ( 2322 PWs) bands (ev): -21.3597 -21.3597 -10.6837 -10.6837 -9.8919 -9.8919 -4.8048 -4.8048 -4.6032 -4.6032 -4.0808 -4.0808 0.3816 0.3816 1.1246 1.1246 2.4118 2.4118 3.4378 3.4378 4.1910 4.1910 4.5891 4.5891 5.0140 5.0140 5.2164 5.2164 5.3198 5.3198 7.0977 7.0977 9.1817 9.1817 10.7536 10.7536 13.5068 13.5068 14.0077 14.0077 k = 0.0000 0.0000 0.1617 ( 2318 PWs) bands (ev): -21.3597 -21.3597 -10.6844 -10.6844 -9.8914 -9.8914 -4.8070 -4.8070 -4.6047 -4.6047 -4.0811 -4.0811 0.3947 0.3947 1.1340 1.1340 2.4149 2.4149 3.4421 3.4421 4.2009 4.2009 4.5811 4.5811 4.9777 4.9777 5.2090 5.2090 5.3119 5.3119 7.1009 7.1009 9.1805 9.1805 10.8183 10.8183 13.4225 13.4225 13.9998 13.9998 k = 0.0000 0.0000 0.1713 ( 2314 PWs) bands (ev): -21.3596 -21.3596 -10.6851 -10.6851 -9.8909 -9.8909 -4.8091 -4.8091 -4.6061 -4.6061 -4.0813 -4.0813 0.4070 0.4070 1.1435 1.1435 2.4179 2.4179 3.4463 3.4463 4.2117 4.2117 4.5704 4.5704 4.9437 4.9437 5.2031 5.2031 5.3047 5.3047 7.1039 7.1039 9.1794 9.1794 10.8815 10.8815 13.3409 13.3409 13.9934 13.9934 k = 0.0000 0.0000 0.1808 ( 2310 PWs) bands (ev): -21.3596 -21.3596 -10.6857 -10.6857 -9.8905 -9.8905 -4.8110 -4.8110 -4.6074 -4.6074 -4.0815 -4.0815 0.4184 0.4184 1.1526 1.1526 2.4208 2.4208 3.4502 3.4502 4.2236 4.2236 4.5564 4.5564 4.9134 4.9134 5.1981 5.1981 5.2981 5.2981 7.1066 7.1066 9.1783 9.1783 10.9424 10.9424 13.2633 13.2633 13.9880 13.9880 k = 0.0000 0.0000 0.1903 ( 2306 PWs) bands (ev): -21.3596 -21.3596 -10.6863 -10.6863 -9.8901 -9.8901 -4.8128 -4.8128 -4.6085 -4.6085 -4.0817 -4.0817 0.4287 0.4287 1.1613 1.1613 2.4234 2.4234 3.4538 3.4538 4.2366 4.2366 4.5392 4.5392 4.8876 4.8876 5.1938 5.1938 5.2923 5.2923 7.1092 7.1092 9.1773 9.1773 11.0001 11.0001 13.1908 13.1908 13.9835 13.9835 k = 0.0000 0.0000 0.1998 ( 2310 PWs) bands (ev): -21.3595 -21.3595 -10.6868 -10.6868 -9.8897 -9.8897 -4.8144 -4.8144 -4.6095 -4.6095 -4.0819 -4.0819 0.4378 0.4378 1.1694 1.1694 2.4257 2.4257 3.4570 3.4570 4.2508 4.2508 4.5190 4.5190 4.8665 4.8665 5.1900 5.1900 5.2872 5.2872 7.1114 7.1114 9.1764 9.1764 11.0537 11.0537 13.1245 13.1245 13.9797 13.9797 k = 0.0000 0.0000 0.2093 ( 2312 PWs) bands (ev): -21.3595 -21.3595 -10.6872 -10.6872 -9.8894 -9.8894 -4.8158 -4.8158 -4.6104 -4.6104 -4.0821 -4.0821 0.4457 0.4457 1.1767 1.1767 2.4278 2.4278 3.4598 3.4598 4.2663 4.2663 4.4963 4.4963 4.8500 4.8500 5.1867 5.1867 5.2830 5.2830 7.1134 7.1134 9.1756 9.1756 11.1019 11.1019 13.0655 13.0655 13.9765 13.9765 k = 0.0000 0.0000 0.2188 ( 2306 PWs) bands (ev): -21.3595 -21.3595 -10.6876 -10.6876 -9.8891 -9.8891 -4.8170 -4.8170 -4.6111 -4.6111 -4.0822 -4.0822 0.4523 0.4523 1.1829 1.1829 2.4295 2.4295 3.4622 3.4622 4.2831 4.2831 4.4719 4.4719 4.8376 4.8376 5.1840 5.1840 5.2795 5.2795 7.1150 7.1150 9.1749 9.1749 11.1438 11.1438 13.0149 13.0149 13.9739 13.9739 k = 0.0000 0.0000 0.2283 ( 2306 PWs) bands (ev): -21.3595 -21.3595 -10.6879 -10.6879 -9.8889 -9.8889 -4.8180 -4.8180 -4.6117 -4.6117 -4.0823 -4.0823 0.4574 0.4574 1.1879 1.1879 2.4309 2.4309 3.4641 3.4641 4.3012 4.3012 4.4468 4.4468 4.8287 4.8287 5.1817 5.1817 5.2769 5.2769 7.1162 7.1162 9.1744 9.1744 11.1779 11.1779 12.9739 12.9739 13.9719 13.9719 k = 0.0000 0.0000 0.2379 ( 2304 PWs) bands (ev): -21.3594 -21.3594 -10.6881 -10.6881 -9.8887 -9.8887 -4.8186 -4.8186 -4.6121 -4.6121 -4.0824 -4.0824 0.4611 0.4611 1.1916 1.1916 2.4319 2.4319 3.4655 3.4655 4.3203 4.3203 4.4221 4.4221 4.8228 4.8228 5.1801 5.1801 5.2750 5.2750 7.1172 7.1172 9.1740 9.1740 11.2034 11.2034 12.9437 12.9437 13.9705 13.9705 k = 0.0000 0.0000 0.2474 ( 2308 PWs) bands (ev): -21.3594 -21.3594 -10.6882 -10.6882 -9.8887 -9.8887 -4.8191 -4.8191 -4.6123 -4.6123 -4.0825 -4.0825 0.4633 0.4633 1.1939 1.1939 2.4325 2.4325 3.4663 3.4663 4.3392 4.3392 4.3996 4.3996 4.8194 4.8194 5.1791 5.1791 5.2739 5.2739 7.1177 7.1177 9.1738 9.1738 11.2190 11.2190 12.9251 12.9251 13.9696 13.9696 k = 0.0000 0.0000 0.2569 ( 2304 PWs) bands (ev): -21.3594 -21.3594 -10.6883 -10.6883 -9.8886 -9.8886 -4.8192 -4.8192 -4.6124 -4.6124 -4.0825 -4.0825 0.4641 0.4641 1.1947 1.1947 2.4327 2.4327 3.4666 3.4666 4.3502 4.3502 4.3874 4.3874 4.8183 4.8183 5.1787 5.1787 5.2736 5.2736 7.1179 7.1179 9.1737 9.1737 11.2244 11.2244 12.9189 12.9189 13.9693 13.9693 k = 0.0000 0.0000 0.2569 ( 2304 PWs) bands (ev): -21.3594 -21.3594 -10.6883 -10.6883 -9.8886 -9.8886 -4.8192 -4.8192 -4.6124 -4.6124 -4.0825 -4.0825 0.4641 0.4641 1.1947 1.1947 2.4327 2.4327 3.4666 3.4666 4.3502 4.3502 4.3874 4.3874 4.8183 4.8183 5.1787 5.1787 5.2736 5.2736 7.1179 7.1179 9.1737 9.1737 11.2244 11.2244 12.9189 12.9189 13.9693 13.9693 k = 0.0094-0.0000 0.2569 ( 2304 PWs) bands (ev): -21.3592 -21.3592 -10.6876 -10.6876 -9.8890 -9.8890 -4.8191 -4.8191 -4.6123 -4.6123 -4.0837 -4.0837 0.4651 0.4651 1.1952 1.1952 2.4327 2.4327 3.4669 3.4669 4.3445 4.3445 4.3894 4.3894 4.8032 4.8032 5.1920 5.1920 5.2791 5.2791 7.1170 7.1170 9.1700 9.1700 11.2256 11.2256 12.9222 12.9222 13.9727 13.9727 k = 0.0189-0.0000 0.2569 ( 2304 PWs) bands (ev): -21.3586 -21.3586 -10.6855 -10.6855 -9.8900 -9.8900 -4.8189 -4.8189 -4.6118 -4.6118 -4.0875 -4.0875 0.4680 0.4680 1.1967 1.1967 2.4327 2.4327 3.4677 3.4677 4.3282 4.3282 4.3948 4.3948 4.7636 4.7636 5.2253 5.2253 5.2964 5.2964 7.1143 7.1143 9.1590 9.1590 11.2293 11.2293 12.9322 12.9322 13.9829 13.9829 k = 0.0283-0.0000 0.2569 ( 2308 PWs) bands (ev): -21.3576 -21.3576 -10.6820 -10.6820 -9.8917 -9.8917 -4.8185 -4.8185 -4.6110 -4.6110 -4.0938 -4.0938 0.4728 0.4728 1.1993 1.1993 2.4328 2.4328 3.4691 3.4691 4.3025 4.3025 4.4026 4.4026 4.7100 4.7100 5.2663 5.2663 5.3270 5.3270 7.1098 7.1098 9.1410 9.1410 11.2355 11.2355 12.9487 12.9487 13.9997 13.9997 k = 0.0377-0.0000 0.2569 ( 2308 PWs) bands (ev): -21.3562 -21.3562 -10.6771 -10.6771 -9.8942 -9.8942 -4.8179 -4.8179 -4.6099 -4.6099 -4.1025 -4.1025 0.4795 0.4795 1.2030 1.2030 2.4328 2.4328 3.4710 3.4710 4.2683 4.2683 4.4124 4.4124 4.6499 4.6499 5.3067 5.3067 5.3713 5.3713 7.1036 7.1036 9.1161 9.1161 11.2440 11.2440 12.9714 12.9714 14.0232 14.0232 k = 0.0472-0.0000 0.2569 ( 2312 PWs) bands (ev): -21.3544 -21.3544 -10.6708 -10.6708 -9.8972 -9.8972 -4.8172 -4.8172 -4.6084 -4.6084 -4.1137 -4.1137 0.4880 0.4880 1.2080 1.2080 2.4327 2.4327 3.4733 3.4733 4.2262 4.2262 4.4230 4.4230 4.5887 4.5887 5.3461 5.3461 5.4246 5.4246 7.0956 7.0956 9.0850 9.0850 11.2550 11.2550 13.0000 13.0000 14.0530 14.0530 k = 0.0566-0.0000 0.2569 ( 2306 PWs) bands (ev): -21.3522 -21.3522 -10.6631 -10.6631 -9.9010 -9.9010 -4.8164 -4.8164 -4.6067 -4.6067 -4.1272 -4.1272 0.4982 0.4982 1.2146 1.2146 2.4325 2.4325 3.4761 3.4761 4.1770 4.1770 4.4300 4.4300 4.5333 4.5333 5.3868 5.3868 5.4816 5.4816 7.0859 7.0859 9.0481 9.0481 11.2683 11.2683 13.0341 13.0341 14.0892 14.0892 k = 0.0660-0.0000 0.2569 ( 2308 PWs) bands (ev): -21.3496 -21.3496 -10.6541 -10.6541 -9.9054 -9.9054 -4.8155 -4.8155 -4.6047 -4.6047 -4.1430 -4.1430 0.5101 0.5101 1.2227 1.2227 2.4321 2.4321 3.4792 3.4792 4.1212 4.1212 4.4164 4.4164 4.5021 4.5021 5.4296 5.4296 5.5392 5.5392 7.0745 7.0745 9.0061 9.0061 11.2838 11.2838 13.0732 13.0732 14.1314 14.1314 k = 0.0755-0.0000 0.2569 ( 2314 PWs) bands (ev): -21.3467 -21.3467 -10.6438 -10.6438 -9.9105 -9.9105 -4.8145 -4.8145 -4.6024 -4.6024 -4.1610 -4.1610 0.5233 0.5233 1.2327 1.2327 2.4314 2.4314 3.4824 3.4824 4.0596 4.0596 4.3725 4.3725 4.5055 4.5055 5.4745 5.4745 5.5960 5.5960 7.0613 7.0613 8.9597 8.9597 11.3015 11.3015 13.1171 13.1171 14.1793 14.1793 k = 0.0849-0.0000 0.2569 ( 2314 PWs) bands (ev): -21.3433 -21.3433 -10.6322 -10.6322 -9.9161 -9.9161 -4.8134 -4.8134 -4.5998 -4.5998 -4.1811 -4.1811 0.5379 0.5379 1.2448 1.2448 2.4302 2.4302 3.4856 3.4856 3.9932 3.9932 4.3196 4.3196 4.5226 4.5226 5.5211 5.5211 5.6513 5.6513 7.0466 7.0466 8.9095 8.9095 11.3213 11.3213 13.1651 13.1651 14.2326 14.2326 k = 0.0943-0.0000 0.2569 ( 2318 PWs) bands (ev): -21.3397 -21.3397 -10.6193 -10.6193 -9.9224 -9.9224 -4.8124 -4.8124 -4.5969 -4.5969 -4.2032 -4.2032 0.5537 0.5537 1.2593 1.2593 2.4283 2.4283 3.4886 3.4886 3.9232 3.9232 4.2668 4.2668 4.5442 4.5442 5.5689 5.5689 5.7045 5.7045 7.0302 7.0302 8.8564 8.8564 11.3431 11.3431 13.2168 13.2168 14.2910 14.2910 k = 0.1038-0.0000 0.2569 ( 2318 PWs) bands (ev): -21.3356 -21.3356 -10.6052 -10.6052 -9.9293 -9.9293 -4.8114 -4.8114 -4.5939 -4.5939 -4.2271 -4.2271 0.5706 0.5706 1.2763 1.2763 2.4257 2.4257 3.4907 3.4907 3.8508 3.8508 4.2161 4.2161 4.5678 4.5678 5.6175 5.6175 5.7554 5.7554 7.0123 7.0123 8.8010 8.8010 11.3668 11.3668 13.2718 13.2718 14.3538 14.3538 k = 0.1132-0.0000 0.2569 ( 2318 PWs) bands (ev): -21.3313 -21.3313 -10.5899 -10.5899 -9.9367 -9.9367 -4.8104 -4.8104 -4.5906 -4.5906 -4.2527 -4.2527 0.5884 0.5884 1.2961 1.2961 2.4221 2.4221 3.4912 3.4912 3.7779 3.7779 4.1682 4.1682 4.5924 4.5924 5.6666 5.6666 5.8037 5.8037 6.9929 6.9929 8.7443 8.7443 11.3923 11.3923 13.3298 13.3298 14.4206 14.4206 k = 0.1226-0.0000 0.2569 ( 2318 PWs) bands (ev): -21.3266 -21.3266 -10.5734 -10.5734 -9.9446 -9.9446 -4.8096 -4.8096 -4.5871 -4.5871 -4.2797 -4.2797 0.6069 0.6069 1.3190 1.3190 2.4172 2.4172 3.4883 3.4883 3.7070 3.7070 4.1233 4.1233 4.6173 4.6173 5.7157 5.7157 5.8495 5.8495 6.9721 6.9721 8.6869 8.6869 11.4195 11.4195 13.3903 13.3903 14.4907 14.4907 k = 0.1321-0.0000 0.2569 ( 2326 PWs) bands (ev): -21.3217 -21.3217 -10.5558 -10.5558 -9.9530 -9.9530 -4.8090 -4.8090 -4.5836 -4.5836 -4.3082 -4.3082 0.6261 0.6261 1.3451 1.3451 2.4106 2.4106 3.4776 3.4776 3.6430 3.6430 4.0817 4.0817 4.6418 4.6418 5.7643 5.7643 5.8929 5.8929 6.9499 6.9499 8.6295 8.6295 11.4481 11.4481 13.4529 13.4529 14.5634 14.5634 k = 0.1415-0.0000 0.2569 ( 2320 PWs) bands (ev): -21.3164 -21.3164 -10.5372 -10.5372 -9.9619 -9.9619 -4.8087 -4.8087 -4.5799 -4.5799 -4.3376 -4.3376 0.6458 0.6458 1.3746 1.3746 2.4022 2.4022 3.4510 3.4510 3.5948 3.5948 4.0437 4.0437 4.6653 4.6653 5.8119 5.8119 5.9340 5.9340 6.9264 6.9264 8.5731 8.5731 11.4782 11.4782 13.5175 13.5175 14.6378 14.6378 k = 0.1509-0.0000 0.2569 ( 2320 PWs) bands (ev): -21.3109 -21.3109 -10.5175 -10.5175 -9.9713 -9.9713 -4.8088 -4.8088 -4.5763 -4.5763 -4.3678 -4.3678 0.6660 0.6660 1.4075 1.4075 2.3913 2.3913 3.4035 3.4035 3.5678 3.5678 4.0095 4.0095 4.6872 4.6872 5.8579 5.8579 5.9734 5.9734 6.9016 6.9016 8.5182 8.5182 11.5097 11.5097 13.5836 13.5836 14.7129 14.7129 k = 0.1604-0.0000 0.2569 ( 2316 PWs) bands (ev): -21.3051 -21.3051 -10.4969 -10.4969 -9.9810 -9.9810 -4.8095 -4.8095 -4.5729 -4.5729 -4.3984 -4.3984 0.6867 0.6867 1.4440 1.4440 2.3777 2.3777 3.3429 3.3429 3.5548 3.5548 3.9794 3.9794 4.7070 4.7070 5.9011 5.9011 6.0117 6.0117 6.8758 6.8758 8.4656 8.4656 11.5424 11.5424 13.6511 13.6511 14.7879 14.7879 k = 0.1698-0.0000 0.2569 ( 2316 PWs) bands (ev): -21.2991 -21.2991 -10.4754 -10.4754 -9.9912 -9.9912 -4.8109 -4.8109 -4.5700 -4.5700 -4.4287 -4.4287 0.7077 0.7077 1.4841 1.4841 2.3607 2.3607 3.2782 3.2782 3.5472 3.5472 3.9540 3.9540 4.7239 4.7239 5.9405 5.9405 6.0499 6.0499 6.8489 6.8489 8.4160 8.4160 11.5761 11.5761 13.7197 13.7197 14.8614 14.8614 k = 0.1792-0.0000 0.2569 ( 2324 PWs) bands (ev): -21.2929 -21.2929 -10.4530 -10.4530 -10.0016 -10.0016 -4.8133 -4.8133 -4.5682 -4.5682 -4.4579 -4.4579 0.7293 0.7293 1.5276 1.5276 2.3400 2.3400 3.2140 3.2140 3.5409 3.5409 3.9333 3.9333 4.7375 4.7375 5.9750 5.9750 6.0890 6.0890 6.8211 6.8211 8.3699 8.3699 11.6108 11.6108 13.7891 13.7891 14.9325 14.9325 k = 0.1887-0.0000 0.2569 ( 2330 PWs) bands (ev): -21.2864 -21.2864 -10.4299 -10.4299 -10.0124 -10.0124 -4.8170 -4.8170 -4.5689 -4.5689 -4.4840 -4.4840 0.7513 0.7513 1.5746 1.5746 2.3150 2.3150 3.1524 3.1524 3.5343 3.5343 3.9177 3.9177 4.7472 4.7472 6.0038 6.0038 6.1295 6.1295 6.7926 6.7926 8.3280 8.3280 11.6464 11.6464 13.8592 13.8592 15.0003 15.0003 k = 0.1981-0.0000 0.2569 ( 2324 PWs) bands (ev): -21.2799 -21.2799 -10.4061 -10.4061 -10.0234 -10.0234 -4.8223 -4.8223 -4.5749 -4.5749 -4.5038 -4.5038 0.7738 0.7738 1.6248 1.6248 2.2854 2.2854 3.0948 3.0948 3.5270 3.5270 3.9070 3.9070 4.7524 4.7524 6.0270 6.0270 6.1712 6.1712 6.7636 6.7636 8.2907 8.2907 11.6829 11.6829 13.9297 13.9297 15.0640 15.0640 k = 0.2075-0.0000 0.2569 ( 2320 PWs) bands (ev): -21.2731 -21.2731 -10.3816 -10.3816 -10.0346 -10.0346 -4.8298 -4.8298 -4.5885 -4.5885 -4.5145 -4.5145 0.7969 0.7969 1.6780 1.6780 2.2511 2.2511 3.0420 3.0420 3.5188 3.5188 3.9011 3.9011 4.7526 4.7526 6.0449 6.0449 6.2136 6.2136 6.7342 6.7342 8.2586 8.2586 11.7200 11.7200 14.0005 14.0005 15.1231 15.1231 k = 0.2170-0.0000 0.2569 ( 2324 PWs) bands (ev): -21.2663 -21.2663 -10.3566 -10.3566 -10.0460 -10.0460 -4.8401 -4.8401 -4.6076 -4.6076 -4.5174 -4.5174 0.8207 0.8207 1.7339 1.7339 2.2122 2.2122 2.9943 2.9943 3.5100 3.5100 3.8995 3.8995 4.7476 4.7476 6.0580 6.0580 6.2557 6.2557 6.7050 6.7050 8.2320 8.2320 11.7578 11.7578 14.0714 14.0714 15.1776 15.1776 k = 0.2264-0.0000 0.2569 ( 2326 PWs) bands (ev): -21.2593 -21.2593 -10.3312 -10.3312 -10.0575 -10.0575 -4.8537 -4.8537 -4.6279 -4.6279 -4.5161 -4.5161 0.8452 0.8452 1.7920 1.7920 2.1691 2.1691 2.9518 2.9518 3.5011 3.5011 3.9018 3.9018 4.7369 4.7369 6.0668 6.0668 6.2966 6.2966 6.6763 6.6763 8.2110 8.2110 11.7961 11.7961 14.1422 14.1422 15.2275 15.2275 k = 0.2358-0.0000 0.2569 ( 2326 PWs) bands (ev): -21.2523 -21.2523 -10.3054 -10.3054 -10.0691 -10.0691 -4.8711 -4.8711 -4.6466 -4.6466 -4.5129 -4.5129 0.8704 0.8704 1.8514 1.8514 2.1229 2.1229 2.9147 2.9147 3.4925 3.4925 3.9073 3.9073 4.7204 4.7204 6.0715 6.0715 6.3350 6.3350 6.6494 6.6494 8.1959 8.1959 11.8350 11.8350 14.2128 14.2128 15.2729 15.2729 k = 0.2453-0.0000 0.2569 ( 2326 PWs) bands (ev): -21.2452 -21.2452 -10.2794 -10.2794 -10.0806 -10.0806 -4.8923 -4.8923 -4.6627 -4.6627 -4.5087 -4.5087 0.8964 0.8964 1.9101 1.9101 2.0758 2.0758 2.8827 2.8827 3.4847 3.4847 3.9156 3.9156 4.6980 4.6980 6.0725 6.0725 6.3688 6.3688 6.6261 6.6261 8.1867 8.1867 11.8745 11.8745 14.2827 14.2827 15.3144 15.3144 k = 0.2547-0.0000 0.2569 ( 2324 PWs) bands (ev): -21.2381 -21.2381 -10.2533 -10.2533 -10.0920 -10.0920 -4.9169 -4.9169 -4.6758 -4.6758 -4.5039 -4.5039 0.9230 0.9230 1.9560 1.9560 2.0400 2.0400 2.8558 2.8558 3.4780 3.4780 3.9262 3.9262 4.6698 4.6698 6.0698 6.0698 6.3943 6.3943 6.6098 6.6098 8.1834 8.1834 11.9143 11.9143 14.3520 14.3520 15.3522 15.3522 k = 0.2642-0.0000 0.2569 ( 2320 PWs) bands (ev): -21.2309 -21.2309 -10.2274 -10.2274 -10.1030 -10.1030 -4.9445 -4.9445 -4.6863 -4.6863 -4.4987 -4.4987 0.9504 0.9504 1.9420 1.9420 2.0628 2.0628 2.8342 2.8342 3.4727 3.4727 3.9388 3.9388 4.6360 4.6360 6.0636 6.0636 6.4067 6.4067 6.6054 6.6054 8.1856 8.1856 11.9547 11.9547 14.4202 14.4202 15.3868 15.3868 k = 0.2736-0.0000 0.2569 ( 2320 PWs) bands (ev): -21.2238 -21.2238 -10.2022 -10.2022 -10.1132 -10.1132 -4.9743 -4.9743 -4.6947 -4.6947 -4.4934 -4.4934 0.9782 0.9782 1.8937 1.8937 2.1183 2.1183 2.8184 2.8184 3.4689 3.4689 3.9529 3.9529 4.5968 4.5968 6.0539 6.0539 6.4029 6.4029 6.6159 6.6159 8.1932 8.1932 11.9956 11.9956 14.4870 14.4870 15.4186 15.4186 k = 0.2830-0.0000 0.2569 ( 2328 PWs) bands (ev): -21.2168 -21.2168 -10.1792 -10.1792 -10.1212 -10.1212 -5.0056 -5.0056 -4.7014 -4.7014 -4.4880 -4.4880 1.0064 1.0064 1.8405 1.8405 2.1763 2.1763 2.8093 2.8093 3.4667 3.4667 3.9683 3.9683 4.5526 4.5526 6.0409 6.0409 6.3858 6.3858 6.6382 6.6382 8.2059 8.2059 12.0369 12.0369 14.5522 14.5522 15.4481 15.4481 k = 0.2925-0.0000 0.2569 ( 2328 PWs) bands (ev): -21.2098 -21.2098 -10.1638 -10.1638 -10.1215 -10.1215 -5.0377 -5.0377 -4.7069 -4.7069 -4.4825 -4.4825 1.0347 1.0347 1.7872 1.7872 2.2311 2.2311 2.8086 2.8086 3.4660 3.4660 3.9846 3.9846 4.5038 4.5038 6.0246 6.0246 6.3602 6.3602 6.6675 6.6675 8.2231 8.2231 12.0788 12.0788 14.6152 14.6152 15.4756 15.4756 k = 0.3019-0.0000 0.2569 ( 2328 PWs) bands (ev): -21.2029 -21.2029 -10.1631 -10.1631 -10.1072 -10.1072 -5.0702 -5.0702 -4.7115 -4.7115 -4.4770 -4.4770 1.0625 1.0625 1.7356 1.7356 2.2794 2.2794 2.8181 2.8181 3.4668 3.4668 4.0015 4.0015 4.4511 4.4511 6.0051 6.0051 6.3297 6.3297 6.7001 6.7001 8.2445 8.2445 12.1212 12.1212 14.6756 14.6756 15.4982 15.4982 k = 0.3113-0.0000 0.2569 ( 2328 PWs) bands (ev): -21.1961 -21.1961 -10.1702 -10.1702 -10.0852 -10.0852 -5.1027 -5.1027 -4.7155 -4.7155 -4.4715 -4.4715 1.0891 1.0891 1.6869 1.6869 2.3187 2.3187 2.8400 2.8400 3.4689 3.4689 4.0188 4.0188 4.3952 4.3952 5.9826 5.9826 6.2963 6.2963 6.7339 6.7339 8.2695 8.2695 12.1643 12.1643 14.7327 14.7327 15.4127 15.4127 k = 0.3208-0.0000 0.2569 ( 2332 PWs) bands (ev): -21.1895 -21.1895 -10.1795 -10.1795 -10.0612 -10.0612 -5.1349 -5.1349 -4.7191 -4.7191 -4.4661 -4.4661 1.1136 1.1136 1.6428 1.6428 2.3474 2.3474 2.8752 2.8752 3.4723 3.4723 4.0357 4.0357 4.3370 4.3370 5.9571 5.9571 6.2610 6.2610 6.7680 6.7680 8.2977 8.2977 12.2080 12.2080 14.7856 14.7856 15.2940 15.2940 k = 0.3302-0.0000 0.2569 ( 2328 PWs) bands (ev): -21.1830 -21.1830 -10.1892 -10.1892 -10.0369 -10.0369 -5.1665 -5.1665 -4.7224 -4.7224 -4.4608 -4.4608 1.1344 1.1344 1.6049 1.6049 2.3658 2.3658 2.9233 2.9233 3.4768 3.4768 4.0512 4.0512 4.2780 4.2780 5.9289 5.9289 6.2243 6.2243 6.8016 6.8016 8.3284 8.3284 12.2525 12.2525 14.8327 14.8327 15.1775 15.1775 k = 0.3396-0.0000 0.2569 ( 2336 PWs) bands (ev): -21.1768 -21.1768 -10.1990 -10.1990 -10.0128 -10.0128 -5.1972 -5.1972 -4.7255 -4.7255 -4.4557 -4.4557 1.1497 1.1497 1.5754 1.5754 2.3753 2.3753 2.9825 2.9825 3.4821 3.4821 4.0620 4.0620 4.2218 4.2218 5.8981 5.8981 6.1866 6.1866 6.8344 6.8344 8.3611 8.3611 12.2978 12.2978 14.8689 14.8689 15.0682 15.0682 k = 0.3491-0.0000 0.2569 ( 2340 PWs) bands (ev): -21.1708 -21.1708 -10.2086 -10.2086 -9.9894 -9.9894 -5.2270 -5.2270 -4.7284 -4.7284 -4.4507 -4.4507 1.1574 1.1574 1.5565 1.5565 2.3783 2.3783 3.0502 3.0502 3.4882 3.4882 4.0586 4.0586 4.1785 4.1785 5.8647 5.8647 6.1482 6.1482 6.8661 6.8661 8.3953 8.3953 12.3441 12.3441 14.8672 14.8672 14.9931 14.9931 k = 0.3585-0.0000 0.2569 ( 2340 PWs) bands (ev): -21.1650 -21.1650 -10.2179 -10.2179 -9.9666 -9.9666 -5.2556 -5.2556 -4.7312 -4.7312 -4.4458 -4.4458 1.1561 1.1561 1.5496 1.5496 2.3768 2.3768 3.1241 3.1241 3.4948 3.4948 4.0261 4.0261 4.1633 4.1633 5.8290 5.8290 6.1094 6.1094 6.8965 6.8965 8.4304 8.4304 12.3914 12.3914 14.7883 14.7883 14.9914 14.9914 k = 0.3679-0.0000 0.2569 ( 2340 PWs) bands (ev): -21.1594 -21.1594 -10.2268 -10.2268 -9.9447 -9.9447 -5.2829 -5.2829 -4.7339 -4.7339 -4.4412 -4.4412 1.1461 1.1461 1.5544 1.5544 2.3725 2.3725 3.2021 3.2021 3.5019 3.5019 3.9716 3.9716 4.1697 4.1697 5.7911 5.7911 6.0706 6.0706 6.9255 6.9255 8.4660 8.4660 12.4398 12.4398 14.6820 14.6820 15.0133 15.0133 k = 0.3774-0.0000 0.2569 ( 2336 PWs) bands (ev): -21.1542 -21.1542 -10.2353 -10.2353 -9.9238 -9.9238 -5.3087 -5.3087 -4.7366 -4.7366 -4.4367 -4.4367 1.1290 1.1290 1.5693 1.5693 2.3666 2.3666 3.2824 3.2824 3.5095 3.5095 3.9092 3.9092 4.1840 4.1840 5.7509 5.7509 6.0320 6.0320 6.9529 6.9529 8.5015 8.5015 12.4894 12.4894 14.5719 14.5719 15.0356 15.0356 k = 0.3868-0.0000 0.2569 ( 2324 PWs) bands (ev): -21.1492 -21.1492 -10.2433 -10.2433 -9.9040 -9.9040 -5.3330 -5.3330 -4.7391 -4.7391 -4.4325 -4.4325 1.1072 1.1072 1.5917 1.5917 2.3602 2.3602 3.3627 3.3627 3.5182 3.5182 3.8449 3.8449 4.2008 4.2008 5.7087 5.7087 5.9941 5.9941 6.9787 6.9787 8.5365 8.5365 12.5403 12.5403 14.4621 14.4621 15.0549 15.0549 k = 0.3962-0.0000 0.2569 ( 2330 PWs) bands (ev): -21.1446 -21.1446 -10.2508 -10.2508 -9.8853 -9.8853 -5.3557 -5.3557 -4.7416 -4.7416 -4.4286 -4.4286 1.0829 1.0829 1.6191 1.6191 2.3538 2.3538 3.4377 3.4377 3.5317 3.5317 3.7813 3.7813 4.2185 4.2185 5.6645 5.6645 5.9574 5.9574 7.0028 7.0028 8.5704 8.5704 12.5927 12.5927 14.3536 14.3536 15.0703 15.0703 k = 0.4057-0.0000 0.2569 ( 2330 PWs) bands (ev): -21.1403 -21.1403 -10.2578 -10.2578 -9.8679 -9.8679 -5.3767 -5.3767 -4.7439 -4.7439 -4.4249 -4.4249 1.0579 1.0579 1.6494 1.6494 2.3480 2.3480 3.4876 3.4876 3.5677 3.5677 3.7207 3.7207 4.2361 4.2361 5.6186 5.6186 5.9222 5.9222 7.0250 7.0250 8.6030 8.6030 12.6466 12.6466 14.2472 14.2472 15.0822 15.0822 k = 0.4151-0.0000 0.2569 ( 2330 PWs) bands (ev): -21.1363 -21.1363 -10.2642 -10.2642 -9.8520 -9.8520 -5.3960 -5.3960 -4.7461 -4.7461 -4.4216 -4.4216 1.0333 1.0333 1.6811 1.6811 2.3432 2.3432 3.4999 3.4999 3.6348 3.6348 3.6669 3.6669 4.2533 4.2533 5.5714 5.5714 5.8889 5.8889 7.0453 7.0453 8.6337 8.6337 12.7021 12.7021 14.1432 14.1432 15.0909 15.0909 k = 0.4245-0.0000 0.2569 ( 2334 PWs) bands (ev): -21.1328 -21.1328 -10.2700 -10.2700 -9.8374 -9.8374 -5.4133 -5.4133 -4.7482 -4.7482 -4.4185 -4.4185 1.0100 1.0100 1.7129 1.7129 2.3397 2.3397 3.4921 3.4921 3.6231 3.6231 3.7120 3.7120 4.2696 4.2696 5.5232 5.5232 5.8581 5.8581 7.0636 7.0636 8.6623 8.6623 12.7593 12.7593 14.0417 14.0417 15.0970 15.0970 k = 0.4340-0.0000 0.2569 ( 2334 PWs) bands (ev): -21.1296 -21.1296 -10.2751 -10.2751 -9.8244 -9.8244 -5.4288 -5.4288 -4.7501 -4.7501 -4.4158 -4.4158 0.9886 0.9886 1.7436 1.7436 2.3376 2.3376 3.4671 3.4671 3.5980 3.5980 3.7872 3.7872 4.2848 4.2848 5.4750 5.4750 5.8301 5.8301 7.0799 7.0799 8.6883 8.6883 12.8183 12.8183 13.9431 13.9431 15.1011 15.1011 k = 0.4434-0.0000 0.2569 ( 2334 PWs) bands (ev): -21.1268 -21.1268 -10.2796 -10.2796 -9.8130 -9.8130 -5.4423 -5.4423 -4.7518 -4.7518 -4.4134 -4.4134 0.9695 0.9695 1.7722 1.7722 2.3371 2.3371 3.4302 3.4302 3.5877 3.5877 3.8591 3.8591 4.2987 4.2987 5.4276 5.4276 5.8051 5.8051 7.0942 7.0942 8.7115 8.7115 12.8790 12.8790 13.8476 13.8476 15.1035 15.1035 k = 0.4528-0.0000 0.2569 ( 2334 PWs) bands (ev): -21.1244 -21.1244 -10.2835 -10.2835 -9.8032 -9.8032 -5.4538 -5.4538 -4.7533 -4.7533 -4.4114 -4.4114 0.9530 0.9530 1.7979 1.7979 2.3379 2.3379 3.3902 3.3902 3.5846 3.5846 3.9254 3.9254 4.3110 4.3110 5.3825 5.3825 5.7835 5.7835 7.1063 7.1063 8.7316 8.7316 12.9413 12.9413 13.7554 13.7554 15.1048 15.1048 k = 0.4623-0.0000 0.2569 ( 2338 PWs) bands (ev): -21.1225 -21.1225 -10.2867 -10.2867 -9.7951 -9.7951 -5.4632 -5.4632 -4.7545 -4.7545 -4.4097 -4.4097 0.9392 0.9392 1.8199 1.8199 2.3399 2.3399 3.3528 3.3528 3.5844 3.5844 3.9841 3.9841 4.3215 4.3215 5.3411 5.3411 5.7655 5.7655 7.1163 7.1163 8.7484 8.7484 13.0050 13.0050 13.6671 13.6671 15.1053 15.1053 k = 0.4717-0.0000 0.2569 ( 2342 PWs) bands (ev): -21.1210 -21.1210 -10.2891 -10.2891 -9.7888 -9.7888 -5.4706 -5.4706 -4.7555 -4.7555 -4.4084 -4.4084 0.9284 0.9284 1.8376 1.8376 2.3424 2.3424 3.3212 3.3212 3.5852 3.5852 4.0333 4.0333 4.3299 4.3299 5.3056 5.3056 5.7512 5.7512 7.1241 7.1241 8.7616 8.7616 13.0693 13.0693 13.5835 13.5835 15.1054 15.1054 k = 0.4811-0.0000 0.2569 ( 2346 PWs) bands (ev): -21.1199 -21.1199 -10.2909 -10.2909 -9.7843 -9.7843 -5.4759 -5.4759 -4.7563 -4.7563 -4.4075 -4.4075 0.9206 0.9206 1.8505 1.8505 2.3448 2.3448 3.2973 3.2973 3.5861 3.5861 4.0705 4.0705 4.3362 4.3362 5.2781 5.2781 5.7409 5.7409 7.1296 7.1296 8.7712 8.7712 13.1321 13.1321 13.5069 13.5069 15.1053 15.1053 k = 0.4906-0.0000 0.2569 ( 2352 PWs) bands (ev): -21.1192 -21.1192 -10.2920 -10.2920 -9.7816 -9.7816 -5.4791 -5.4791 -4.7567 -4.7567 -4.4069 -4.4069 0.9159 0.9159 1.8584 1.8584 2.3466 2.3466 3.2824 3.2824 3.5868 3.5868 4.0939 4.0939 4.3400 4.3400 5.2605 5.2605 5.7347 5.7347 7.1330 7.1330 8.7770 8.7770 13.1865 13.1865 13.4440 13.4440 15.1052 15.1052 k = 0.5000-0.0000 0.2569 ( 2348 PWs) bands (ev): -21.1190 -21.1190 -10.2923 -10.2923 -9.7806 -9.7806 -5.4802 -5.4802 -4.7568 -4.7568 -4.4067 -4.4067 0.9143 0.9143 1.8610 1.8610 2.3473 2.3473 3.2773 3.2773 3.5870 3.5870 4.1019 4.1019 4.3413 4.3413 5.2544 5.2544 5.7326 5.7326 7.1341 7.1341 8.7789 8.7789 13.2120 13.2120 13.4159 13.4159 15.1051 15.1051 k = 0.5000-0.0000 0.2569 ( 2348 PWs) bands (ev): -21.1190 -21.1190 -10.2923 -10.2923 -9.7806 -9.7806 -5.4802 -5.4802 -4.7568 -4.7568 -4.4067 -4.4067 0.9143 0.9143 1.8610 1.8610 2.3473 2.3473 3.2773 3.2773 3.5870 3.5870 4.1019 4.1019 4.3413 4.3413 5.2544 5.2544 5.7326 5.7326 7.1341 7.1341 8.7789 8.7789 13.2120 13.2120 13.4159 13.4159 15.1051 15.1051 k = 0.5000 0.0095 0.2569 ( 2348 PWs) bands (ev): -21.1190 -21.1190 -10.2922 -10.2922 -9.7806 -9.7806 -5.4803 -5.4803 -4.7567 -4.7567 -4.4073 -4.4073 0.9141 0.9141 1.8607 1.8607 2.3468 2.3468 3.2779 3.2779 3.5873 3.5873 4.1021 4.1021 4.3416 4.3416 5.2547 5.2547 5.7324 5.7324 7.1334 7.1334 8.7786 8.7786 13.2110 13.2110 13.4190 13.4190 15.1078 15.1078 k = 0.5000 0.0191 0.2569 ( 2348 PWs) bands (ev): -21.1188 -21.1188 -10.2917 -10.2917 -9.7803 -9.7803 -5.4806 -5.4806 -4.7563 -4.7563 -4.4091 -4.4091 0.9133 0.9133 1.8597 1.8597 2.3454 2.3454 3.2794 3.2794 3.5880 3.5880 4.1029 4.1029 4.3423 4.3423 5.2555 5.2555 5.7316 5.7316 7.1311 7.1311 8.7777 8.7777 13.2080 13.2080 13.4285 13.4285 15.1158 15.1158 k = 0.5000 0.0286 0.2569 ( 2344 PWs) bands (ev): -21.1186 -21.1186 -10.2909 -10.2909 -9.7798 -9.7798 -5.4812 -5.4812 -4.7556 -4.7556 -4.4119 -4.4119 0.9121 0.9121 1.8581 1.8581 2.3429 2.3429 3.2821 3.2821 3.5892 3.5892 4.1041 4.1041 4.3435 4.3435 5.2569 5.2569 5.7303 5.7303 7.1273 7.1273 8.7762 8.7762 13.2031 13.2031 13.4442 13.4442 15.1292 15.1292 k = 0.5000 0.0381 0.2569 ( 2348 PWs) bands (ev): -21.1182 -21.1182 -10.2899 -10.2899 -9.7792 -9.7792 -5.4819 -5.4819 -4.7547 -4.7547 -4.4160 -4.4160 0.9104 0.9104 1.8558 1.8558 2.3395 2.3395 3.2858 3.2858 3.5909 3.5909 4.1060 4.1060 4.3453 4.3453 5.2588 5.2588 5.7285 5.7285 7.1220 7.1220 8.7742 8.7742 13.1963 13.1963 13.4661 13.4661 15.1477 15.1477 k = 0.5000 0.0476 0.2569 ( 2344 PWs) bands (ev): -21.1178 -21.1178 -10.2885 -10.2885 -9.7784 -9.7784 -5.4829 -5.4829 -4.7536 -4.7536 -4.4211 -4.4211 0.9082 0.9082 1.8529 1.8529 2.3352 2.3352 3.2904 3.2904 3.5931 3.5931 4.1084 4.1084 4.3475 4.3475 5.2613 5.2613 5.7262 5.7262 7.1154 7.1154 8.7716 8.7716 13.1877 13.1877 13.4940 13.4940 15.1715 15.1715 k = 0.5000 0.0572 0.2569 ( 2344 PWs) bands (ev): -21.1173 -21.1173 -10.2868 -10.2868 -9.7774 -9.7774 -5.4841 -5.4841 -4.7522 -4.7522 -4.4273 -4.4273 0.9056 0.9056 1.8494 1.8494 2.3299 2.3299 3.2960 3.2960 3.5956 3.5956 4.1115 4.1115 4.3501 4.3501 5.2644 5.2644 5.7234 5.7234 7.1073 7.1073 8.7684 8.7684 13.1773 13.1773 13.5279 13.5279 15.2003 15.2003 k = 0.5000 0.0667 0.2569 ( 2344 PWs) bands (ev): -21.1166 -21.1166 -10.2848 -10.2848 -9.7763 -9.7763 -5.4855 -5.4855 -4.7506 -4.7506 -4.4344 -4.4344 0.9025 0.9025 1.8453 1.8453 2.3236 2.3236 3.3025 3.3025 3.5984 3.5984 4.1154 4.1154 4.3532 4.3532 5.2682 5.2682 5.7201 5.7201 7.0980 7.0980 8.7646 8.7646 13.1651 13.1651 13.5675 13.5675 15.2340 15.2340 k = 0.5000 0.0762 0.2569 ( 2336 PWs) bands (ev): -21.1159 -21.1159 -10.2826 -10.2826 -9.7750 -9.7750 -5.4871 -5.4871 -4.7488 -4.7488 -4.4425 -4.4425 0.8989 0.8989 1.8406 1.8406 2.3165 2.3165 3.3099 3.3099 3.6016 3.6016 4.1200 4.1200 4.3566 4.3566 5.2726 5.2726 5.7164 5.7164 7.0874 7.0874 8.7604 8.7604 13.1512 13.1512 13.6127 13.6127 15.2726 15.2726 k = 0.5000 0.0857 0.2569 ( 2336 PWs) bands (ev): -21.1151 -21.1151 -10.2801 -10.2801 -9.7736 -9.7736 -5.4889 -5.4889 -4.7469 -4.7469 -4.4515 -4.4515 0.8950 0.8950 1.8352 1.8352 2.3084 2.3084 3.3179 3.3179 3.6049 3.6049 4.1256 4.1256 4.3605 4.3605 5.2778 5.2778 5.7123 5.7123 7.0757 7.0757 8.7556 8.7556 13.1355 13.1355 13.6634 13.6634 15.3156 15.3156 k = 0.5000 0.0953 0.2569 ( 2332 PWs) bands (ev): -21.1143 -21.1143 -10.2773 -10.2773 -9.7720 -9.7720 -5.4909 -5.4909 -4.7448 -4.7448 -4.4612 -4.4612 0.8906 0.8906 1.8294 1.8294 2.2995 2.2995 3.3267 3.3267 3.6085 3.6085 4.1321 4.1321 4.3647 4.3647 5.2838 5.2838 5.7077 5.7077 7.0630 7.0630 8.7503 8.7503 13.1183 13.1183 13.7193 13.7193 15.3629 15.3629 k = 0.5000 0.1048 0.2569 ( 2332 PWs) bands (ev): -21.1133 -21.1133 -10.2743 -10.2743 -9.7703 -9.7703 -5.4930 -5.4930 -4.7427 -4.7427 -4.4717 -4.4717 0.8859 0.8859 1.8229 1.8229 2.2897 2.2897 3.3361 3.3361 3.6121 3.6121 4.1397 4.1397 4.3693 4.3693 5.2907 5.2907 5.7028 5.7028 7.0493 7.0493 8.7446 8.7446 13.0994 13.0994 13.7802 13.7802 15.4140 15.4140 k = 0.5000 0.1143 0.2569 ( 2332 PWs) bands (ev): -21.1123 -21.1123 -10.2710 -10.2710 -9.7684 -9.7684 -5.4954 -5.4954 -4.7406 -4.7406 -4.4827 -4.4827 0.8808 0.8808 1.8160 1.8160 2.2792 2.2792 3.3459 3.3459 3.6157 3.6157 4.1484 4.1484 4.3741 4.3741 5.2985 5.2985 5.6975 5.6975 7.0347 7.0347 8.7384 8.7384 13.0790 13.0790 13.8459 13.8459 15.4686 15.4686 k = 0.5000 0.1238 0.2569 ( 2332 PWs) bands (ev): -21.1112 -21.1112 -10.2676 -10.2676 -9.7664 -9.7664 -5.4979 -5.4979 -4.7385 -4.7385 -4.4942 -4.4942 0.8754 0.8754 1.8085 1.8085 2.2679 2.2679 3.3562 3.3562 3.6193 3.6193 4.1582 4.1582 4.3793 4.3793 5.3073 5.3073 5.6919 5.6919 7.0194 7.0194 8.7318 8.7318 13.0570 13.0570 13.9161 13.9161 15.5260 15.5260 k = 0.5000 0.1334 0.2569 ( 2336 PWs) bands (ev): -21.1101 -21.1101 -10.2639 -10.2639 -9.7644 -9.7644 -5.5005 -5.5005 -4.7366 -4.7366 -4.5060 -4.5060 0.8696 0.8696 1.8006 1.8006 2.2560 2.2560 3.3667 3.3667 3.6228 3.6228 4.1692 4.1692 4.3846 4.3846 5.3171 5.3171 5.6860 5.6860 7.0034 7.0034 8.7249 8.7249 13.0336 13.0336 13.9907 13.9907 15.5856 15.5856 k = 0.5000 0.1429 0.2569 ( 2328 PWs) bands (ev): -21.1089 -21.1089 -10.2601 -10.2601 -9.7622 -9.7622 -5.5033 -5.5033 -4.7349 -4.7349 -4.5179 -4.5179 0.8636 0.8636 1.7922 1.7922 2.2435 2.2435 3.3774 3.3774 3.6262 3.6262 4.1814 4.1814 4.3902 4.3902 5.3281 5.3281 5.6799 5.6799 6.9869 6.9869 8.7175 8.7175 13.0087 13.0087 14.0693 14.0693 15.6464 15.6464 k = 0.5000 0.1524 0.2569 ( 2320 PWs) bands (ev): -21.1076 -21.1076 -10.2561 -10.2561 -9.7599 -9.7599 -5.5063 -5.5063 -4.7336 -4.7336 -4.5298 -4.5298 0.8573 0.8573 1.7835 1.7835 2.2305 2.2305 3.3881 3.3881 3.6296 3.6296 4.1947 4.1947 4.3959 4.3959 5.3403 5.3403 5.6736 5.6736 6.9700 6.9700 8.7099 8.7099 12.9824 12.9824 14.1515 14.1515 15.7073 15.7073 k = 0.5000 0.1619 0.2569 ( 2320 PWs) bands (ev): -21.1063 -21.1063 -10.2520 -10.2520 -9.7575 -9.7575 -5.5093 -5.5093 -4.7327 -4.7327 -4.5414 -4.5414 0.8508 0.8508 1.7743 1.7743 2.2170 2.2170 3.3987 3.3987 3.6329 3.6329 4.2090 4.2090 4.4018 4.4018 5.3538 5.3538 5.6670 5.6670 6.9527 6.9527 8.7020 8.7020 12.9547 12.9547 14.2371 14.2371 15.7669 15.7669 k = 0.5000 0.1715 0.2569 ( 2320 PWs) bands (ev): -21.1050 -21.1050 -10.2477 -10.2477 -9.7551 -9.7551 -5.5125 -5.5125 -4.7326 -4.7326 -4.5526 -4.5526 0.8441 0.8441 1.7648 1.7648 2.2032 2.2032 3.4090 3.4090 3.6361 3.6361 4.2242 4.2242 4.4078 4.4078 5.3686 5.3686 5.6603 5.6603 6.9352 6.9352 8.6939 8.6939 12.9258 12.9258 14.3258 14.3258 15.8239 15.8239 k = 0.5000 0.1810 0.2569 ( 2312 PWs) bands (ev): -21.1037 -21.1037 -10.2433 -10.2433 -9.7526 -9.7526 -5.5157 -5.5157 -4.7334 -4.7334 -4.5630 -4.5630 0.8373 0.8373 1.7550 1.7550 2.1891 2.1891 3.4189 3.4189 3.6394 3.6394 4.2402 4.2402 4.4139 4.4139 5.3848 5.3848 5.6535 5.6535 6.9176 6.9176 8.6856 8.6856 12.8956 12.8956 14.4172 14.4172 15.8764 15.8764 k = 0.5000 0.1905 0.2569 ( 2312 PWs) bands (ev): -21.1023 -21.1023 -10.2389 -10.2389 -9.7501 -9.7501 -5.5190 -5.5190 -4.7352 -4.7352 -4.5725 -4.5725 0.8303 0.8303 1.7449 1.7449 2.1749 2.1749 3.4283 3.4283 3.6428 3.6428 4.2569 4.2569 4.4201 4.4201 5.4025 5.4025 5.6466 5.6466 6.8999 6.8999 8.6771 8.6771 12.8641 12.8641 14.5109 14.5109 15.9219 15.9219 k = 0.5000 0.2000 0.2569 ( 2312 PWs) bands (ev): -21.1009 -21.1009 -10.2344 -10.2344 -9.7476 -9.7476 -5.5224 -5.5224 -4.7383 -4.7383 -4.5807 -4.5807 0.8233 0.8233 1.7346 1.7346 2.1605 2.1605 3.4369 3.4369 3.6464 3.6464 4.2741 4.2741 4.4263 4.4263 5.4216 5.4216 5.6397 5.6397 6.8822 6.8822 8.6685 8.6685 12.8315 12.8315 14.6064 14.6064 15.9571 15.9571 k = 0.5000 0.2096 0.2569 ( 2320 PWs) bands (ev): -21.0995 -21.0995 -10.2299 -10.2299 -9.7450 -9.7450 -5.5258 -5.5258 -4.7429 -4.7429 -4.5875 -4.5875 0.8161 0.8161 1.7241 1.7241 2.1462 2.1462 3.4447 3.4447 3.6503 3.6503 4.2916 4.2916 4.4325 4.4325 5.4422 5.4422 5.6329 5.6329 6.8647 6.8647 8.6599 8.6599 12.7978 12.7978 14.7034 14.7034 15.9761 15.9761 k = 0.5000 0.2191 0.2569 ( 2320 PWs) bands (ev): -21.0981 -21.0981 -10.2254 -10.2254 -9.7425 -9.7425 -5.5292 -5.5292 -4.7489 -4.7489 -4.5928 -4.5928 0.8090 0.8090 1.7135 1.7135 2.1320 2.1320 3.4516 3.4516 3.6547 3.6547 4.3092 4.3092 4.4386 4.4386 5.4642 5.4642 5.6261 5.6261 6.8474 6.8474 8.6512 8.6512 12.7631 12.7631 14.8013 14.8013 15.9714 15.9714 k = 0.5000 0.2286 0.2569 ( 2316 PWs) bands (ev): -21.0968 -21.0968 -10.2208 -10.2208 -9.7399 -9.7399 -5.5327 -5.5327 -4.7562 -4.7562 -4.5965 -4.5965 0.8019 0.8019 1.7029 1.7029 2.1180 2.1180 3.4575 3.4575 3.6595 3.6595 4.3268 4.3268 4.4448 4.4448 5.4874 5.4874 5.6195 5.6195 6.8305 6.8305 8.6426 8.6426 12.7274 12.7274 14.8996 14.8996 15.9418 15.9418 k = 0.5000 0.2381 0.2569 ( 2312 PWs) bands (ev): -21.0954 -21.0954 -10.2164 -10.2164 -9.7374 -9.7374 -5.5361 -5.5361 -4.7647 -4.7647 -4.5988 -4.5988 0.7949 0.7949 1.6922 1.6922 2.1042 2.1042 3.4623 3.4623 3.6648 3.6648 4.3441 4.3441 4.4508 4.4508 5.5118 5.5118 5.6134 5.6134 6.8139 6.8139 8.6340 8.6340 12.6908 12.6908 14.9975 14.9975 15.8940 15.8940 k = 0.5000 0.2477 0.2569 ( 2316 PWs) bands (ev): -21.0940 -21.0940 -10.2119 -10.2119 -9.7349 -9.7349 -5.5395 -5.5395 -4.7742 -4.7742 -4.5999 -4.5999 0.7879 0.7879 1.6815 1.6815 2.0907 2.0907 3.4661 3.4661 3.6705 3.6705 4.3609 4.3609 4.4567 4.4567 5.5366 5.5366 5.6081 5.6081 6.7978 6.7978 8.6256 8.6256 12.6535 12.6535 15.0942 15.0942 15.8357 15.8357 k = 0.5000 0.2572 0.2569 ( 2320 PWs) bands (ev): -21.0927 -21.0927 -10.2076 -10.2076 -9.7324 -9.7324 -5.5428 -5.5428 -4.7845 -4.7845 -4.6001 -4.6001 0.7811 0.7811 1.6709 1.6709 2.0777 2.0777 3.4688 3.4688 3.6767 3.6767 4.3772 4.3772 4.4625 4.4625 5.5602 5.5602 5.6053 5.6053 6.7822 6.7822 8.6173 8.6173 12.6157 12.6157 15.1884 15.1884 15.7724 15.7724 k = 0.5000 0.2667 0.2569 ( 2312 PWs) bands (ev): -21.0914 -21.0914 -10.2033 -10.2033 -9.7301 -9.7301 -5.5461 -5.5461 -4.7950 -4.7950 -4.5994 -4.5994 0.7744 0.7744 1.6605 1.6605 2.0652 2.0652 3.4707 3.4707 3.6833 3.6833 4.3929 4.3929 4.4681 4.4681 5.5756 5.5756 5.6117 5.6117 6.7673 6.7673 8.6093 8.6093 12.5773 12.5773 15.2779 15.2779 15.7087 15.7087 k = 0.5000 0.2762 0.2569 ( 2308 PWs) bands (ev): -21.0902 -21.0902 -10.1992 -10.1992 -9.7277 -9.7277 -5.5493 -5.5493 -4.8059 -4.8059 -4.5981 -4.5981 0.7680 0.7680 1.6503 1.6503 2.0531 2.0531 3.4717 3.4717 3.6902 3.6902 4.4077 4.4077 4.4736 4.4736 5.5775 5.5775 5.6326 5.6326 6.7530 6.7530 8.6015 8.6015 12.5388 12.5388 15.3568 15.3568 15.6517 15.6517 k = 0.5000 0.2858 0.2569 ( 2304 PWs) bands (ev): -21.0889 -21.0889 -10.1952 -10.1952 -9.7255 -9.7255 -5.5524 -5.5524 -4.8167 -4.8167 -4.5965 -4.5965 0.7617 0.7617 1.6404 1.6404 2.0417 2.0417 3.4721 3.4721 3.6972 3.6972 4.4216 4.4216 4.4789 4.4789 5.5740 5.5740 5.6595 5.6595 6.7395 6.7395 8.5940 8.5940 12.5002 12.5002 15.4082 15.4082 15.6195 15.6195 k = 0.5000 0.2953 0.2569 ( 2304 PWs) bands (ev): -21.0878 -21.0878 -10.1914 -10.1914 -9.7234 -9.7234 -5.5554 -5.5554 -4.8273 -4.8273 -4.5945 -4.5945 0.7558 0.7558 1.6308 1.6308 2.0309 2.0309 3.4718 3.4718 3.7042 3.7042 4.4346 4.4346 4.4839 4.4839 5.5694 5.5694 5.6880 5.6880 6.7268 6.7268 8.5869 8.5869 12.4620 12.4620 15.4047 15.4047 15.6399 15.6399 k = 0.5000 0.3048 0.2569 ( 2304 PWs) bands (ev): -21.0867 -21.0867 -10.1878 -10.1878 -9.7214 -9.7214 -5.5582 -5.5582 -4.8376 -4.8376 -4.5924 -4.5924 0.7501 0.7501 1.6217 1.6217 2.0208 2.0208 3.4711 3.4711 3.7112 3.7112 4.4466 4.4466 4.4888 4.4888 5.5646 5.5646 5.7167 5.7167 6.7149 6.7149 8.5801 8.5801 12.4243 12.4243 15.3616 15.3616 15.6983 15.6983 k = 0.5000 0.3143 0.2569 ( 2304 PWs) bands (ev): -21.0857 -21.0857 -10.1844 -10.1844 -9.7195 -9.7195 -5.5609 -5.5609 -4.8475 -4.8475 -4.5901 -4.5901 0.7448 0.7448 1.6130 1.6130 2.0113 2.0113 3.4701 3.4701 3.7180 3.7180 4.4576 4.4576 4.4933 4.4933 5.5598 5.5598 5.7452 5.7452 6.7039 6.7039 8.5737 8.5737 12.3875 12.3875 15.3069 15.3069 15.7667 15.7667 k = 0.5000 0.3239 0.2569 ( 2312 PWs) bands (ev): -21.0847 -21.0847 -10.1813 -10.1813 -9.7177 -9.7177 -5.5634 -5.5634 -4.8568 -4.8568 -4.5879 -4.5879 0.7398 0.7398 1.6048 1.6048 2.0026 2.0026 3.4688 3.4688 3.7245 3.7245 4.4675 4.4675 4.4976 4.4976 5.5553 5.5553 5.7728 5.7728 6.6938 6.6938 8.5678 8.5678 12.3520 12.3520 15.2509 15.2509 15.8348 15.8348 k = 0.5000 0.3334 0.2569 ( 2312 PWs) bands (ev): -21.0839 -21.0839 -10.1783 -10.1783 -9.7161 -9.7161 -5.5658 -5.5658 -4.8655 -4.8655 -4.5858 -4.5858 0.7352 0.7352 1.5972 1.5972 1.9947 1.9947 3.4674 3.4674 3.7306 3.7306 4.4763 4.4763 4.5017 4.5017 5.5511 5.5511 5.7993 5.7993 6.6847 6.6847 8.5623 8.5623 12.3182 12.3182 15.1974 15.1974 15.8992 15.8992 k = 0.5000 0.3429 0.2569 ( 2312 PWs) bands (ev): -21.0831 -21.0831 -10.1757 -10.1757 -9.7146 -9.7146 -5.5679 -5.5679 -4.8734 -4.8734 -4.5837 -4.5837 0.7311 0.7311 1.5902 1.5902 1.9876 1.9876 3.4659 3.4659 3.7363 3.7363 4.4840 4.4840 4.5055 4.5055 5.5472 5.5472 5.8242 5.8242 6.6766 6.6766 8.5573 8.5573 12.2864 12.2864 15.1477 15.1477 15.9584 15.9584 k = 0.5000 0.3524 0.2569 ( 2316 PWs) bands (ev): -21.0824 -21.0824 -10.1733 -10.1733 -9.7133 -9.7133 -5.5698 -5.5698 -4.8806 -4.8806 -4.5818 -4.5818 0.7273 0.7273 1.5840 1.5840 1.9813 1.9813 3.4644 3.4644 3.7415 3.7415 4.4906 4.4906 4.5090 4.5090 5.5437 5.5437 5.8471 5.8471 6.6694 6.6694 8.5529 8.5529 12.2572 12.2572 15.1029 15.1029 16.0114 16.0114 k = 0.5000 0.3620 0.2569 ( 2316 PWs) bands (ev): -21.0817 -21.0817 -10.1712 -10.1712 -9.7121 -9.7121 -5.5715 -5.5715 -4.8868 -4.8868 -4.5801 -4.5801 0.7240 0.7240 1.5785 1.5785 1.9758 1.9758 3.4631 3.4631 3.7460 3.7460 4.4961 4.4961 4.5122 4.5122 5.5407 5.5407 5.8677 5.8677 6.6632 6.6632 8.5490 8.5490 12.2308 12.2308 15.0633 15.0633 16.0577 16.0577 k = 0.5000 0.3715 0.2569 ( 2308 PWs) bands (ev): -21.0812 -21.0812 -10.1694 -10.1694 -9.7111 -9.7111 -5.5729 -5.5729 -4.8922 -4.8922 -4.5785 -4.5785 0.7212 0.7212 1.5737 1.5737 1.9711 1.9711 3.4618 3.4618 3.7500 3.7500 4.5007 4.5007 4.5151 4.5151 5.5381 5.5381 5.8857 5.8857 6.6580 6.6580 8.5457 8.5457 12.2078 12.2078 15.0295 15.0295 16.0971 16.0971 k = 0.5000 0.3810 0.2569 ( 2312 PWs) bands (ev): -21.0807 -21.0807 -10.1679 -10.1679 -9.7103 -9.7103 -5.5741 -5.5741 -4.8967 -4.8967 -4.5773 -4.5773 0.7189 0.7189 1.5698 1.5698 1.9672 1.9672 3.4607 3.4607 3.7533 3.7533 4.5042 4.5042 4.5177 4.5177 5.5359 5.5359 5.9008 5.9008 6.6538 6.6538 8.5430 8.5430 12.1884 12.1884 15.0016 15.0016 16.1293 16.1293 k = 0.5000 0.3905 0.2569 ( 2308 PWs) bands (ev): -21.0804 -21.0804 -10.1668 -10.1668 -9.7096 -9.7096 -5.5750 -5.5750 -4.9002 -4.9002 -4.5763 -4.5763 0.7171 0.7171 1.5667 1.5667 1.9642 1.9642 3.4598 3.4598 3.7559 3.7559 4.5068 4.5068 4.5198 4.5198 5.5342 5.5342 5.9128 5.9128 6.6506 6.6506 8.5408 8.5408 12.1730 12.1730 14.9797 14.9797 16.1539 16.1541 k = 0.5000 0.4001 0.2569 ( 2304 PWs) bands (ev): -21.0801 -21.0801 -10.1659 -10.1659 -9.7092 -9.7092 -5.5756 -5.5756 -4.9027 -4.9027 -4.5755 -4.5755 0.7158 0.7158 1.5645 1.5645 1.9621 1.9621 3.4592 3.4592 3.7578 3.7578 4.5086 4.5086 4.5213 4.5213 5.5330 5.5330 5.9215 5.9215 6.6483 6.6483 8.5393 8.5393 12.1617 12.1617 14.9640 14.9640 16.1683 16.1748 k = 0.5000 0.4096 0.2569 ( 2308 PWs) bands (ev): -21.0800 -21.0800 -10.1654 -10.1654 -9.7089 -9.7089 -5.5760 -5.5760 -4.9042 -4.9042 -4.5751 -4.5751 0.7150 0.7150 1.5631 1.5631 1.9608 1.9608 3.4588 3.4588 3.7589 3.7589 4.5096 4.5096 4.5223 4.5223 5.5322 5.5322 5.9268 5.9268 6.6469 6.6469 8.5384 8.5384 12.1549 12.1549 14.9546 14.9546 16.1698 16.1699 k = 0.5000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0800 -21.0800 -10.1652 -10.1652 -9.7088 -9.7088 -5.5762 -5.5762 -4.9048 -4.9048 -4.5750 -4.5750 0.7147 0.7147 1.5627 1.5627 1.9604 1.9604 3.4587 3.4587 3.7593 3.7593 4.5100 4.5100 4.5226 4.5226 5.5320 5.5320 5.9285 5.9285 6.6464 6.6464 8.5380 8.5380 12.1527 12.1527 14.9514 14.9514 16.1696 16.1697 k = 0.5000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0800 -21.0800 -10.1652 -10.1652 -9.7088 -9.7088 -5.5762 -5.5762 -4.9048 -4.9048 -4.5750 -4.5750 0.7147 0.7147 1.5627 1.5627 1.9604 1.9604 3.4587 3.4587 3.7593 3.7593 4.5100 4.5100 4.5226 4.5226 5.5320 5.5320 5.9285 5.9285 6.6464 6.6464 8.5380 8.5380 12.1527 12.1527 14.9514 14.9514 16.1696 16.1697 k = 0.4906 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.0802 -21.0802 -10.1651 -10.1651 -9.7096 -9.7096 -5.5751 -5.5751 -4.9048 -4.9048 -4.5752 -4.5752 0.7167 0.7167 1.5627 1.5627 1.9603 1.9603 3.4572 3.4572 3.7608 3.7608 4.4318 4.4318 4.5987 4.5987 5.5327 5.5327 5.9294 5.9294 6.6456 6.6456 8.5378 8.5378 12.1517 12.1517 14.9500 14.9500 16.1706 16.1709 k = 0.4811 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0808 -21.0808 -10.1646 -10.1646 -9.7120 -9.7120 -5.5716 -5.5716 -4.9049 -4.9049 -4.5760 -4.5760 0.7225 0.7225 1.5628 1.5628 1.9599 1.9599 3.4527 3.4527 3.7655 3.7655 4.3460 4.3460 4.6784 4.6784 5.5351 5.5351 5.9319 5.9319 6.6433 6.6433 8.5371 8.5371 12.1487 12.1487 14.9457 14.9457 16.1735 16.1735 k = 0.4717 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0818 -21.0818 -10.1639 -10.1639 -9.7161 -9.7161 -5.5659 -5.5659 -4.9051 -4.9051 -4.5772 -4.5772 0.7321 0.7321 1.5628 1.5628 1.9595 1.9595 3.4453 3.4453 3.7728 3.7728 4.2590 4.2590 4.7554 4.7554 5.5390 5.5390 5.9361 5.9361 6.6395 6.6395 8.5360 8.5360 12.1437 12.1437 14.9385 14.9385 16.1782 16.1784 k = 0.4623 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0832 -21.0832 -10.1628 -10.1628 -9.7217 -9.7217 -5.5580 -5.5580 -4.9054 -4.9054 -4.5790 -4.5790 0.7455 0.7455 1.5626 1.5626 1.9591 1.9591 3.4351 3.4351 3.7821 3.7821 4.1719 4.1719 4.8293 4.8293 5.5444 5.5444 5.9421 5.9421 6.6341 6.6341 8.5344 8.5344 12.1368 12.1368 14.9283 14.9283 16.1849 16.1851 k = 0.4528 0.4191 0.2569 ( 2308 PWs) bands (ev): -21.0851 -21.0851 -10.1614 -10.1614 -9.7289 -9.7289 -5.5478 -5.5478 -4.9057 -4.9057 -4.5812 -4.5812 0.7626 0.7626 1.5621 1.5621 1.9591 1.9591 3.4223 3.4223 3.7915 3.7915 4.0865 4.0865 4.8998 4.8998 5.5514 5.5514 5.9497 5.9497 6.6271 6.6271 8.5325 8.5325 12.1281 12.1281 14.9150 14.9150 16.1934 16.1935 k = 0.4434 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.0873 -21.0873 -10.1597 -10.1597 -9.7377 -9.7377 -5.5354 -5.5354 -4.9061 -4.9061 -4.5839 -4.5839 0.7833 0.7833 1.5612 1.5612 1.9597 1.9597 3.4070 3.4070 3.7962 3.7962 4.0078 4.0078 4.9665 4.9665 5.5600 5.5600 5.9590 5.9590 6.6187 6.6187 8.5302 8.5302 12.1175 12.1175 14.8986 14.8986 16.2039 16.2040 k = 0.4340 0.4191 0.2569 ( 2320 PWs) bands (ev): -21.0899 -21.0899 -10.1578 -10.1578 -9.7479 -9.7479 -5.5209 -5.5209 -4.9065 -4.9065 -4.5871 -4.5871 0.8074 0.8074 1.5596 1.5596 1.9613 1.9613 3.3896 3.3896 3.7821 3.7821 3.9499 3.9499 5.0291 5.0291 5.5703 5.5703 5.9700 5.9700 6.6087 6.6087 8.5276 8.5276 12.1053 12.1053 14.8789 14.8789 16.2163 16.2163 k = 0.4245 0.4191 0.2569 ( 2320 PWs) bands (ev): -21.0929 -21.0929 -10.1556 -10.1556 -9.7596 -9.7596 -5.5043 -5.5043 -4.9068 -4.9068 -4.5907 -4.5907 0.8348 0.8348 1.5572 1.5572 1.9642 1.9642 3.3701 3.3701 3.7313 3.7313 3.9308 3.9308 5.0871 5.0871 5.5825 5.5825 5.9825 5.9825 6.5971 6.5971 8.5247 8.5247 12.0915 12.0915 14.8558 14.8558 16.2307 16.2307 k = 0.4151 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.0963 -21.0963 -10.1531 -10.1531 -9.7726 -9.7726 -5.4856 -5.4856 -4.9072 -4.9072 -4.5947 -4.5947 0.8651 0.8651 1.5539 1.5539 1.9687 1.9687 3.3488 3.3488 3.6542 3.6542 3.9402 3.9402 5.1401 5.1401 5.5968 5.5968 5.9966 5.9966 6.5841 6.5841 8.5216 8.5216 12.0763 12.0763 14.8292 14.8292 16.2472 16.2472 k = 0.4057 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.1000 -21.1000 -10.1504 -10.1504 -9.7870 -9.7870 -5.4649 -5.4649 -4.9074 -4.9074 -4.5991 -4.5991 0.8981 0.8981 1.5498 1.5498 1.9751 1.9751 3.3259 3.3259 3.5670 3.5670 3.9619 3.9619 5.1876 5.1876 5.6134 5.6134 6.0121 6.0121 6.5696 6.5696 8.5184 8.5184 12.0596 12.0596 14.7989 14.7989 16.2657 16.2657 k = 0.3962 0.4191 0.2569 ( 2320 PWs) bands (ev): -21.1040 -21.1040 -10.1474 -10.1474 -9.8026 -9.8026 -5.4424 -5.4424 -4.9076 -4.9076 -4.6039 -4.6039 0.9333 0.9333 1.5449 1.5449 1.9836 1.9836 3.3015 3.3015 3.4762 3.4762 3.9895 3.9895 5.2291 5.2291 5.6326 5.6326 6.0287 6.0287 6.5537 6.5537 8.5152 8.5152 12.0418 12.0418 14.7650 14.7650 16.2864 16.2864 k = 0.3868 0.4191 0.2569 ( 2308 PWs) bands (ev): -21.1083 -21.1083 -10.1442 -10.1442 -9.8194 -9.8194 -5.4181 -5.4181 -4.9076 -4.9076 -4.6090 -4.6090 0.9702 0.9702 1.5398 1.5398 1.9942 1.9942 3.2761 3.2761 3.3842 3.3842 4.0207 4.0207 5.2645 5.2645 5.6546 5.6546 6.0464 6.0464 6.5364 6.5364 8.5120 8.5120 12.0229 12.0229 14.7273 14.7273 16.3093 16.3093 k = 0.3774 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.1130 -21.1130 -10.1408 -10.1408 -9.8372 -9.8372 -5.3921 -5.3921 -4.9074 -4.9074 -4.6145 -4.6145 1.0080 1.0080 1.5349 1.5349 2.0070 2.0070 3.2495 3.2495 3.2923 3.2923 4.0544 4.0544 5.2938 5.2938 5.6792 5.6792 6.0649 6.0649 6.5177 6.5177 8.5090 8.5090 12.0030 12.0030 14.6858 14.6858 16.3343 16.3343 k = 0.3679 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1180 -21.1180 -10.1373 -10.1373 -9.8562 -9.8562 -5.3646 -5.3646 -4.9069 -4.9069 -4.6203 -4.6203 1.0456 1.0456 1.5312 1.5312 2.0218 2.0218 3.1998 3.1998 3.2235 3.2235 4.0899 4.0899 5.3173 5.3173 5.7062 5.7062 6.0839 6.0839 6.4979 6.4979 8.5062 8.5062 11.9823 11.9823 14.6405 14.6405 16.3615 16.3615 k = 0.3585 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1232 -21.1232 -10.1336 -10.1336 -9.8760 -9.8760 -5.3356 -5.3356 -4.9061 -4.9061 -4.6263 -4.6263 1.0816 1.0816 1.5301 1.5301 2.0383 2.0383 3.1103 3.1103 3.1955 3.1955 4.1269 4.1269 5.3355 5.3355 5.7349 5.7349 6.1033 6.1033 6.4769 6.4769 8.5038 8.5038 11.9609 11.9609 14.5914 14.5914 16.3907 16.3907 k = 0.3491 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1286 -21.1286 -10.1298 -10.1298 -9.8967 -9.8967 -5.3055 -5.3055 -4.9047 -4.9047 -4.6326 -4.6326 1.1140 1.1140 1.5334 1.5334 2.0563 2.0563 3.0224 3.0224 3.1677 3.1677 4.1649 4.1649 5.3490 5.3490 5.7646 5.7646 6.1226 6.1226 6.4550 6.4550 8.5019 8.5019 11.9390 11.9390 14.5386 14.5386 16.4211 16.4211 k = 0.3396 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1343 -21.1343 -10.1259 -10.1259 -9.9181 -9.9181 -5.2743 -5.2743 -4.9028 -4.9028 -4.6390 -4.6390 1.1407 1.1407 1.5432 1.5432 2.0750 2.0750 2.9374 2.9374 3.1399 3.1399 4.2037 4.2037 5.3585 5.3585 5.7946 5.7946 6.1416 6.1416 6.4324 6.4324 8.5007 8.5007 11.9166 11.9166 14.4823 14.4823 16.4430 16.4438 k = 0.3302 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1402 -21.1402 -10.1219 -10.1219 -9.9401 -9.9401 -5.2425 -5.2425 -4.9001 -4.9001 -4.6456 -4.6456 1.1595 1.1595 1.5613 1.5613 2.0936 2.0936 2.8562 2.8562 3.1125 3.1125 4.2429 4.2429 5.3646 5.3646 5.8241 5.8241 6.1597 6.1597 6.4097 6.4097 8.5002 8.5002 11.8940 11.8940 14.4224 14.4224 16.4389 16.4392 k = 0.3208 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1463 -21.1463 -10.1180 -10.1180 -9.9625 -9.9625 -5.2102 -5.2102 -4.8963 -4.8963 -4.6523 -4.6523 1.1694 1.1694 1.5888 1.5888 2.1109 2.1109 2.7805 2.7805 3.0857 3.0857 4.2823 4.2823 5.3680 5.3680 5.8525 5.8525 6.1765 6.1765 6.3874 6.3874 8.5006 8.5006 11.8711 11.8711 14.3593 14.3593 16.4300 16.4300 k = 0.3113 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1525 -21.1525 -10.1142 -10.1142 -9.9853 -9.9853 -5.1781 -5.1781 -4.8912 -4.8912 -4.6590 -4.6590 1.1705 1.1705 1.6252 1.6252 2.1249 2.1249 2.7122 2.7122 3.0597 3.0597 4.3216 4.3216 5.3689 5.3689 5.8790 5.8790 6.1910 6.1910 6.3667 6.3667 8.5020 8.5020 11.8481 11.8481 14.2930 14.2930 16.4199 16.4199 k = 0.3019 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1589 -21.1589 -10.1107 -10.1107 -10.0081 -10.0081 -5.1466 -5.1466 -4.8842 -4.8842 -4.6657 -4.6657 1.1639 1.1639 1.6689 1.6689 2.1329 2.1329 2.6543 2.6543 3.0350 3.0350 4.3607 4.3607 5.3678 5.3678 5.9028 5.9028 6.2016 6.2016 6.3495 6.3495 8.5045 8.5045 11.8251 11.8251 14.2239 14.2239 16.4091 16.4091 k = 0.2925 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1654 -21.1654 -10.1080 -10.1080 -10.0304 -10.0304 -5.1166 -5.1166 -4.8748 -4.8748 -4.6722 -4.6722 1.1513 1.1513 1.7178 1.7178 2.1314 2.1314 2.6108 2.6108 3.0119 3.0119 4.3991 4.3991 5.3649 5.3649 5.9230 5.9230 6.2066 6.2066 6.3383 6.3383 8.5084 8.5084 11.8023 11.8023 14.1521 14.1521 16.3977 16.3977 k = 0.2830 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1720 -21.1720 -10.1073 -10.1073 -10.0509 -10.0509 -5.0889 -5.0889 -4.8624 -4.8624 -4.6785 -4.6785 1.1340 1.1340 1.7699 1.7699 2.1173 2.1173 2.5850 2.5850 2.9908 2.9908 4.4368 4.4368 5.3605 5.3605 5.9387 5.9387 6.2046 6.2046 6.3351 6.3351 8.5137 8.5137 11.7796 11.7796 14.0779 14.0779 16.3856 16.3856 k = 0.2736 0.4191 0.2569 ( 2328 PWs) bands (ev): -21.1786 -21.1786 -10.1117 -10.1117 -10.0664 -10.0664 -5.0642 -5.0642 -4.8464 -4.8464 -4.6844 -4.6844 1.1130 1.1130 1.8229 1.8229 2.0903 2.0903 2.5781 2.5781 2.9722 2.9722 4.4735 4.4735 5.3545 5.3545 5.9485 5.9485 6.1972 6.1972 6.3397 6.3397 8.5206 8.5206 11.7572 11.7572 14.0015 14.0015 16.3725 16.3725 k = 0.2642 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1853 -21.1853 -10.1248 -10.1248 -10.0733 -10.0733 -5.0433 -5.0433 -4.8267 -4.8267 -4.6894 -4.6894 1.0893 1.0893 1.8736 1.8736 2.0539 2.0539 2.5884 2.5884 2.9567 2.9567 4.5089 4.5089 5.3472 5.3472 5.9511 5.9511 6.1880 6.1880 6.3496 6.3496 8.5290 8.5290 11.7352 11.7352 13.9233 13.9233 16.3582 16.3582 k = 0.2547 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1920 -21.1920 -10.1443 -10.1443 -10.0738 -10.0738 -5.0264 -5.0264 -4.8038 -4.8038 -4.6929 -4.6929 1.0634 1.0634 1.9128 1.9128 2.0195 2.0195 2.6125 2.6125 2.9450 2.9450 4.5431 4.5431 5.3386 5.3386 5.9454 5.9454 6.1800 6.1800 6.3627 6.3627 8.5392 8.5392 11.7135 11.7135 13.8436 13.8436 16.3420 16.3420 k = 0.2453 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.1988 -21.1988 -10.1665 -10.1665 -10.0715 -10.0715 -5.0130 -5.0130 -4.7802 -4.7802 -4.6930 -4.6930 1.0358 1.0358 1.9107 1.9107 2.0191 2.0191 2.6472 2.6472 2.9377 2.9377 4.5756 4.5756 5.3286 5.3286 5.9315 5.9315 6.1748 6.1748 6.3777 6.3777 8.5512 8.5512 11.6924 11.6924 13.7626 13.7626 16.3224 16.3224 k = 0.2358 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.2054 -21.2054 -10.1896 -10.1896 -10.0683 -10.0683 -5.0027 -5.0027 -4.7604 -4.7604 -4.6857 -4.6857 1.0068 1.0068 1.8688 1.8688 2.0522 2.0522 2.6903 2.6903 2.9355 2.9355 4.6065 4.6065 5.3173 5.3173 5.9104 5.9104 6.1723 6.1723 6.3936 6.3936 8.5651 8.5651 11.6717 11.6717 13.6807 13.6807 16.2967 16.2967 k = 0.2264 0.4191 0.2569 ( 2324 PWs) bands (ev): -21.2121 -21.2121 -10.2129 -10.2129 -10.0645 -10.0645 -4.9948 -4.9948 -4.7499 -4.7499 -4.6664 -4.6664 0.9766 0.9766 1.8171 1.8171 2.0895 2.0895 2.7402 2.7402 2.9392 2.9392 4.6356 4.6356 5.3046 5.3046 5.8836 5.8836 6.1714 6.1714 6.4101 6.4101 8.5808 8.5808 11.6516 11.6516 13.5981 13.5981 16.2587 16.2587 k = 0.2170 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.2186 -21.2186 -10.2362 -10.2362 -10.0606 -10.0606 -4.9886 -4.9886 -4.7475 -4.7475 -4.6369 -4.6369 0.9456 0.9456 1.7637 1.7637 2.1230 2.1230 2.7958 2.7958 2.9493 2.9493 4.6629 4.6629 5.2905 5.2905 5.8527 5.8527 6.1712 6.1712 6.4268 6.4268 8.5983 8.5983 11.6321 11.6321 13.5153 13.5153 16.1982 16.1982 k = 0.2075 0.4191 0.2569 ( 2320 PWs) bands (ev): -21.2251 -21.2251 -10.2591 -10.2591 -10.0566 -10.0566 -4.9839 -4.9839 -4.7491 -4.7491 -4.6022 -4.6022 0.9138 0.9138 1.7110 1.7110 2.1506 2.1506 2.8563 2.8563 2.9664 2.9664 4.6881 4.6881 5.2747 5.2747 5.8191 5.8191 6.1706 6.1706 6.4435 6.4435 8.6176 8.6176 11.6133 11.6133 13.4325 13.4325 16.1099 16.1099 k = 0.1981 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.2315 -21.2315 -10.2817 -10.2817 -10.0526 -10.0526 -4.9801 -4.9801 -4.7521 -4.7521 -4.5649 -4.5649 0.8815 0.8815 1.6599 1.6599 2.1716 2.1716 2.9200 2.9200 2.9913 2.9913 4.7113 4.7113 5.2571 5.2571 5.7838 5.7838 6.1692 6.1692 6.4601 6.4601 8.6387 8.6387 11.5952 11.5952 13.3501 13.3501 16.0022 16.0022 k = 0.1887 0.4191 0.2569 ( 2320 PWs) bands (ev): -21.2377 -21.2377 -10.3038 -10.3038 -10.0487 -10.0487 -4.9772 -4.9772 -4.7557 -4.7557 -4.5266 -4.5266 0.8489 0.8489 1.6110 1.6110 2.1864 2.1864 2.9827 2.9827 3.0273 3.0273 4.7324 4.7324 5.2376 5.2376 5.7475 5.7475 6.1665 6.1665 6.4763 6.4763 8.6614 8.6614 11.5778 11.5778 13.2684 13.2684 15.8866 15.8866 k = 0.1792 0.4191 0.2569 ( 2316 PWs) bands (ev): -21.2437 -21.2437 -10.3253 -10.3253 -10.0448 -10.0448 -4.9749 -4.9749 -4.7594 -4.7594 -4.4879 -4.4879 0.8162 0.8162 1.5645 1.5645 2.1954 2.1954 3.0346 3.0346 3.0828 3.0828 4.7515 4.7515 5.2160 5.2160 5.7111 5.7111 6.1624 6.1624 6.4921 6.4921 8.6856 8.6856 11.5611 11.5611 13.1878 13.1878 15.7696 15.7697 k = 0.1698 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.2496 -21.2496 -10.3461 -10.3461 -10.0411 -10.0411 -4.9731 -4.9731 -4.7630 -4.7630 -4.4493 -4.4493 0.7836 0.7836 1.5207 1.5207 2.1997 2.1997 3.0787 3.0787 3.1535 3.1535 4.7685 4.7685 5.1920 5.1920 5.6750 5.6750 6.1568 6.1568 6.5073 6.5073 8.7110 8.7110 11.5451 11.5451 13.1086 13.1086 15.6546 15.6546 k = 0.1604 0.4191 0.2569 ( 2304 PWs) bands (ev): -21.2553 -21.2553 -10.3662 -10.3662 -10.0375 -10.0375 -4.9718 -4.9718 -4.7664 -4.7664 -4.4112 -4.4112 0.7513 0.7513 1.4796 1.4796 2.1999 2.1999 3.1232 3.1232 3.2297 3.2297 4.7833 4.7833 5.1654 5.1654 5.6399 5.6399 6.1496 6.1496 6.5220 6.5220 8.7376 8.7376 11.5300 11.5300 13.0311 13.0311 15.5431 15.5431 k = 0.1509 0.4191 0.2569 ( 2304 PWs) bands (ev): -21.2607 -21.2607 -10.3855 -10.3855 -10.0340 -10.0340 -4.9708 -4.9708 -4.7695 -4.7695 -4.3739 -4.3739 0.7195 0.7195 1.4413 1.4413 2.1971 2.1971 3.1700 3.1700 3.3083 3.3083 4.7960 4.7960 5.1363 5.1363 5.6059 5.6059 6.1409 6.1409 6.5359 6.5359 8.7650 8.7650 11.5157 11.5157 12.9557 12.9557 15.4360 15.4360 k = 0.1415 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.2659 -21.2659 -10.4039 -10.4039 -10.0307 -10.0307 -4.9702 -4.9702 -4.7722 -4.7722 -4.3377 -4.3377 0.6884 0.6884 1.4057 1.4057 2.1920 2.1920 3.2190 3.2190 3.3881 3.3881 4.8066 4.8066 5.1047 5.1047 5.5736 5.5736 6.1309 6.1309 6.5491 6.5491 8.7930 8.7930 11.5022 11.5022 12.8828 12.8828 15.3339 15.3339 k = 0.1321 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.2709 -21.2709 -10.4214 -10.4214 -10.0276 -10.0276 -4.9699 -4.9699 -4.7746 -4.7746 -4.3028 -4.3028 0.6583 0.6583 1.3728 1.3728 2.1853 2.1853 3.2700 3.2700 3.4682 3.4682 4.8147 4.8147 5.0707 5.0707 5.5430 5.5430 6.1196 6.1196 6.5615 6.5615 8.8214 8.8214 11.4895 11.4895 12.8125 12.8125 15.2372 15.2372 k = 0.1226 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.2756 -21.2756 -10.4379 -10.4379 -10.0246 -10.0246 -4.9698 -4.9698 -4.7766 -4.7766 -4.2693 -4.2693 0.6292 0.6292 1.3425 1.3425 2.1775 2.1775 3.3224 3.3224 3.5479 3.5479 4.8201 4.8201 5.0350 5.0350 5.5143 5.5143 6.1073 6.1073 6.5730 6.5730 8.8497 8.8497 11.4776 11.4776 12.7454 12.7454 15.1463 15.1463 k = 0.1132 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.2800 -21.2800 -10.4533 -10.4533 -10.0218 -10.0218 -4.9699 -4.9699 -4.7783 -4.7783 -4.2376 -4.2376 0.6016 0.6016 1.3148 1.3148 2.1691 2.1691 3.3759 3.3759 3.6267 3.6267 4.8219 4.8219 4.9986 4.9986 5.4875 5.4875 6.0940 6.0940 6.5837 6.5837 8.8777 8.8777 11.4666 11.4666 12.6818 12.6818 15.0613 15.0613 k = 0.1038 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.2841 -21.2841 -10.4677 -10.4677 -10.0193 -10.0193 -4.9702 -4.9702 -4.7797 -4.7797 -4.2077 -4.2077 0.5754 0.5754 1.2896 1.2896 2.1603 2.1603 3.4301 3.4301 3.7040 3.7040 4.8184 4.8184 4.9638 4.9638 5.4624 5.4624 6.0802 6.0802 6.5935 6.5935 8.9051 8.9051 11.4565 11.4565 12.6218 12.6218 14.9825 14.9825 k = 0.0943 0.4191 0.2569 ( 2300 PWs) bands (ev): -21.2879 -21.2879 -10.4810 -10.4810 -10.0169 -10.0169 -4.9706 -4.9706 -4.7809 -4.7809 -4.1799 -4.1799 0.5509 0.5509 1.2669 1.2669 2.1516 2.1516 3.4846 3.4846 3.7792 3.7792 4.8067 4.8067 4.9339 4.9339 5.4389 5.4389 6.0660 6.0660 6.6024 6.6024 8.9315 8.9315 11.4472 11.4472 12.5659 12.5659 14.9101 14.9101 k = 0.0849 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.2914 -21.2914 -10.4931 -10.4931 -10.0148 -10.0148 -4.9711 -4.9711 -4.7817 -4.7817 -4.1542 -4.1542 0.5284 0.5284 1.2465 1.2465 2.1432 2.1432 3.5389 3.5389 3.8518 3.8518 4.7835 4.7835 4.9128 4.9128 5.4171 5.4171 6.0518 6.0518 6.6104 6.6104 8.9567 8.9567 11.4388 11.4388 12.5144 12.5144 14.8442 14.8442 k = 0.0755 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.2945 -21.2945 -10.5041 -10.5041 -10.0128 -10.0128 -4.9717 -4.9717 -4.7824 -4.7824 -4.1308 -4.1308 0.5078 0.5078 1.2284 1.2284 2.1352 2.1352 3.5924 3.5924 3.9212 3.9212 4.7493 4.7493 4.9003 4.9003 5.3967 5.3967 6.0378 6.0378 6.6176 6.6176 8.9802 8.9802 11.4313 11.4313 12.4675 12.4675 14.7848 14.7848 k = 0.0660 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.2973 -21.2973 -10.5138 -10.5138 -10.0111 -10.0111 -4.9723 -4.9723 -4.7829 -4.7829 -4.1098 -4.1098 0.4893 0.4893 1.2126 1.2126 2.1279 2.1279 3.6445 3.6445 3.9870 3.9870 4.7080 4.7080 4.8935 4.8935 5.3779 5.3779 6.0244 6.0244 6.6239 6.6239 9.0018 9.0018 11.4247 11.4247 12.4254 12.4254 14.7323 14.7323 k = 0.0566 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.2998 -21.2998 -10.5223 -10.5223 -10.0096 -10.0096 -4.9729 -4.9729 -4.7832 -4.7832 -4.0915 -4.0915 0.4731 0.4731 1.1990 1.1990 2.1213 2.1213 3.6945 3.6945 4.0485 4.0485 4.6630 4.6630 4.8896 4.8896 5.3606 5.3606 6.0119 6.0119 6.6293 6.6293 9.0211 9.0211 11.4189 11.4189 12.3884 12.3884 14.6865 14.6865 k = 0.0472 0.4191 0.2569 ( 2292 PWs) bands (ev): -21.3019 -21.3019 -10.5295 -10.5295 -10.0084 -10.0084 -4.9734 -4.9734 -4.7834 -4.7834 -4.0758 -4.0758 0.4592 0.4592 1.1876 1.1876 2.1156 2.1156 3.7412 3.7412 4.1054 4.1054 4.6166 4.6166 4.8870 4.8870 5.3452 5.3452 6.0007 6.0007 6.6338 6.6338 9.0380 9.0380 11.4140 11.4140 12.3568 12.3568 14.6476 14.6476 k = 0.0377 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.3036 -21.3036 -10.5355 -10.5355 -10.0073 -10.0073 -4.9739 -4.9739 -4.7835 -4.7835 -4.0628 -4.0628 0.4478 0.4478 1.1782 1.1782 2.1108 2.1108 3.7834 3.7834 4.1572 4.1572 4.5706 4.5706 4.8850 4.8850 5.3318 5.3318 5.9910 5.9910 6.6375 6.6375 9.0521 9.0521 11.4101 11.4101 12.3306 12.3306 14.6157 14.6157 k = 0.0283 0.4191 0.2569 ( 2296 PWs) bands (ev): -21.3049 -21.3049 -10.5401 -10.5401 -10.0065 -10.0065 -4.9743 -4.9743 -4.7836 -4.7836 -4.0526 -4.0526 0.4388 0.4388 1.1710 1.1710 2.1070 2.1070 3.8193 3.8193 4.2035 4.2035 4.5267 4.5267 4.8835 4.8835 5.3209 5.3209 5.9832 5.9832 6.6404 6.6404 9.0633 9.0633 11.4070 11.4070 12.3101 12.3101 14.5909 14.5909 k = 0.0189 0.4191 0.2569 ( 2308 PWs) bands (ev): -21.3059 -21.3059 -10.5434 -10.5434 -10.0059 -10.0059 -4.9746 -4.9746 -4.7837 -4.7837 -4.0454 -4.0454 0.4323 0.4323 1.1659 1.1659 2.1042 2.1042 3.8471 3.8471 4.2432 4.2432 4.4872 4.4872 4.8824 4.8824 5.3127 5.3127 5.9774 5.9774 6.6425 6.6425 9.0714 9.0714 11.4048 11.4048 12.2954 12.2954 14.5731 14.5731 k = 0.0094 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.3065 -21.3065 -10.5454 -10.5454 -10.0056 -10.0056 -4.9748 -4.9748 -4.7837 -4.7837 -4.0410 -4.0410 0.4284 0.4284 1.1628 1.1628 2.1026 2.1026 3.8648 3.8648 4.2730 4.2730 4.4568 4.4568 4.8817 4.8817 5.3076 5.3076 5.9739 5.9739 6.6437 6.6437 9.0763 9.0763 11.4034 11.4034 12.2865 12.2865 14.5624 14.5624 k = 0.0000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.3067 -21.3067 -10.5461 -10.5461 -10.0055 -10.0055 -4.9749 -4.9749 -4.7837 -4.7837 -4.0395 -4.0395 0.4271 0.4271 1.1618 1.1618 2.1020 2.1020 3.8709 3.8709 4.2850 4.2850 4.4444 4.4444 4.8814 4.8814 5.3059 5.3059 5.9727 5.9727 6.6441 6.6441 9.0779 9.0779 11.4030 11.4030 12.2835 12.2835 14.5588 14.5588 k = 0.0000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.3067 -21.3067 -10.5461 -10.5461 -10.0055 -10.0055 -4.9749 -4.9749 -4.7837 -4.7837 -4.0395 -4.0395 0.4271 0.4271 1.1618 1.1618 2.1020 2.1020 3.8709 3.8709 4.2850 4.2850 4.4444 4.4444 4.8814 4.8814 5.3059 5.3059 5.9727 5.9727 6.6441 6.6441 9.0779 9.0779 11.4030 11.4030 12.2835 12.2835 14.5588 14.5588 k = 0.0000 0.4096 0.2569 ( 2312 PWs) bands (ev): -21.3067 -21.3067 -10.5463 -10.5463 -10.0053 -10.0053 -4.9747 -4.9747 -4.7835 -4.7835 -4.0396 -4.0396 0.4272 0.4272 1.1618 1.1618 2.1026 2.1026 3.8702 3.8702 4.2847 4.2847 4.4451 4.4451 4.8809 4.8809 5.3058 5.3058 5.9711 5.9711 6.6445 6.6445 9.0781 9.0781 11.3994 11.3994 12.2927 12.2927 14.5584 14.5584 k = 0.0000 0.4001 0.2569 ( 2308 PWs) bands (ev): -21.3069 -21.3069 -10.5468 -10.5468 -10.0048 -10.0048 -4.9741 -4.9741 -4.7829 -4.7829 -4.0397 -4.0397 0.4273 0.4273 1.1619 1.1619 2.1044 2.1044 3.8684 3.8684 4.2839 4.2839 4.4473 4.4473 4.8791 4.8791 5.3055 5.3055 5.9666 5.9666 6.6459 6.6459 9.0784 9.0784 11.3892 11.3892 12.3197 12.3197 14.5570 14.5570 k = 0.0000 0.3905 0.2569 ( 2308 PWs) bands (ev): -21.3073 -21.3073 -10.5478 -10.5478 -10.0041 -10.0041 -4.9731 -4.9731 -4.7819 -4.7819 -4.0400 -4.0400 0.4275 0.4275 1.1621 1.1621 2.1074 2.1074 3.8653 3.8653 4.2826 4.2826 4.4507 4.4507 4.8762 4.8762 5.3050 5.3050 5.9590 5.9590 6.6482 6.6482 9.0790 9.0790 11.3736 11.3736 12.3632 12.3632 14.5548 14.5548 k = 0.0000 0.3810 0.2569 ( 2312 PWs) bands (ev): -21.3078 -21.3078 -10.5491 -10.5491 -10.0030 -10.0030 -4.9717 -4.9717 -4.7805 -4.7805 -4.0404 -4.0404 0.4278 0.4278 1.1624 1.1624 2.1116 2.1116 3.8609 3.8609 4.2810 4.2810 4.4554 4.4554 4.8722 4.8722 5.3042 5.3042 5.9485 5.9485 6.6514 6.6514 9.0798 9.0798 11.3542 11.3542 12.4215 12.4215 14.5517 14.5517 k = 0.0000 0.3715 0.2569 ( 2306 PWs) bands (ev): -21.3083 -21.3083 -10.5507 -10.5507 -10.0016 -10.0016 -4.9700 -4.9700 -4.7787 -4.7787 -4.0409 -4.0409 0.4282 0.4282 1.1628 1.1628 2.1170 2.1170 3.8553 3.8553 4.2792 4.2792 4.4612 4.4612 4.8671 4.8671 5.3033 5.3033 5.9353 5.9353 6.6556 6.6556 9.0809 9.0809 11.3327 11.3327 12.4927 12.4927 14.5477 14.5477 k = 0.0000 0.3620 0.2569 ( 2314 PWs) bands (ev): -21.3091 -21.3091 -10.5527 -10.5527 -9.9999 -9.9999 -4.9679 -4.9679 -4.7765 -4.7765 -4.0415 -4.0415 0.4286 0.4286 1.1632 1.1632 2.1234 2.1234 3.8485 3.8485 4.2773 4.2773 4.4679 4.4679 4.8609 4.8609 5.3021 5.3021 5.9195 5.9195 6.6607 6.6607 9.0821 9.0821 11.3102 11.3102 12.5752 12.5752 14.5427 14.5427 k = 0.0000 0.3524 0.2569 ( 2312 PWs) bands (ev): -21.3099 -21.3099 -10.5551 -10.5551 -9.9980 -9.9980 -4.9654 -4.9654 -4.7739 -4.7739 -4.0423 -4.0423 0.4291 0.4291 1.1638 1.1638 2.1310 2.1310 3.8405 3.8405 4.2756 4.2756 4.4753 4.4753 4.8536 4.8536 5.3008 5.3008 5.9012 5.9012 6.6668 6.6668 9.0836 9.0836 11.2879 11.2879 12.6677 12.6677 14.5369 14.5369 k = 0.0000 0.3429 0.2569 ( 2312 PWs) bands (ev): -21.3109 -21.3109 -10.5577 -10.5577 -9.9958 -9.9958 -4.9626 -4.9626 -4.7710 -4.7710 -4.0431 -4.0431 0.4297 0.4297 1.1644 1.1644 2.1395 2.1395 3.8313 3.8313 4.2740 4.2740 4.4834 4.4834 4.8454 4.8454 5.2992 5.2992 5.8808 5.8808 6.6739 6.6739 9.0853 9.0853 11.2665 11.2665 12.7690 12.7690 14.5301 14.5301 k = 0.0000 0.3334 0.2569 ( 2312 PWs) bands (ev): -21.3120 -21.3120 -10.5607 -10.5607 -9.9933 -9.9933 -4.9595 -4.9595 -4.7678 -4.7678 -4.0440 -4.0440 0.4304 0.4304 1.1650 1.1650 2.1490 2.1490 3.8209 3.8209 4.2727 4.2727 4.4920 4.4920 4.8363 4.8363 5.2976 5.2976 5.8585 5.8585 6.6820 6.6820 9.0872 9.0872 11.2465 11.2465 12.8782 12.8782 14.5225 14.5225 k = 0.0000 0.3239 0.2569 ( 2316 PWs) bands (ev): -21.3132 -21.3132 -10.5640 -10.5640 -9.9906 -9.9906 -4.9560 -4.9560 -4.7642 -4.7642 -4.0450 -4.0450 0.4311 0.4311 1.1658 1.1658 2.1594 2.1594 3.8094 3.8094 4.2717 4.2717 4.5010 4.5010 4.8264 4.8264 5.2957 5.2957 5.8345 5.8345 6.6910 6.6910 9.0893 9.0893 11.2282 11.2282 12.9946 12.9946 14.5139 14.5139 k = 0.0000 0.3143 0.2569 ( 2322 PWs) bands (ev): -21.3145 -21.3145 -10.5675 -10.5675 -9.9876 -9.9876 -4.9523 -4.9523 -4.7603 -4.7603 -4.0461 -4.0461 0.4320 0.4320 1.1665 1.1665 2.1706 2.1706 3.7969 3.7969 4.2711 4.2711 4.5103 4.5103 4.8157 4.8157 5.2937 5.2937 5.8090 5.8090 6.7010 6.7010 9.0916 9.0916 11.2118 11.2118 13.1174 13.1174 14.5043 14.5043 k = 0.0000 0.3048 0.2569 ( 2320 PWs) bands (ev): -21.3159 -21.3159 -10.5713 -10.5713 -9.9845 -9.9845 -4.9482 -4.9482 -4.7560 -4.7560 -4.0472 -4.0472 0.4328 0.4328 1.1674 1.1674 2.1826 2.1826 3.7834 3.7834 4.2710 4.2710 4.5197 4.5197 4.8043 4.8043 5.2915 5.2915 5.7825 5.7825 6.7119 6.7119 9.0940 9.0940 11.1974 11.1974 13.2462 13.2462 14.4938 14.4938 k = 0.0000 0.2953 0.2569 ( 2316 PWs) bands (ev): -21.3173 -21.3173 -10.5754 -10.5754 -9.9811 -9.9811 -4.9439 -4.9439 -4.7515 -4.7515 -4.0485 -4.0485 0.4338 0.4338 1.1683 1.1683 2.1951 2.1951 3.7690 3.7690 4.2713 4.2713 4.5292 4.5292 4.7924 4.7924 5.2892 5.2892 5.7551 5.7551 6.7236 6.7236 9.0967 9.0967 11.1849 11.1849 13.3801 13.3801 14.4823 14.4823 k = 0.0000 0.2858 0.2569 ( 2316 PWs) bands (ev): -21.3189 -21.3189 -10.5796 -10.5796 -9.9776 -9.9776 -4.9393 -4.9393 -4.7467 -4.7467 -4.0498 -4.0498 0.4348 0.4348 1.1692 1.1692 2.2083 2.2083 3.7539 3.7539 4.2720 4.2720 4.5387 4.5387 4.7801 4.7801 5.2868 5.2868 5.7271 5.7271 6.7362 6.7362 9.0994 9.0994 11.1744 11.1744 13.5186 13.5186 14.4697 14.4697 k = 0.0000 0.2762 0.2569 ( 2306 PWs) bands (ev): -21.3205 -21.3205 -10.5841 -10.5841 -9.9739 -9.9739 -4.9345 -4.9345 -4.7416 -4.7416 -4.0511 -4.0511 0.4359 0.4359 1.1702 1.1702 2.2219 2.2219 3.7380 3.7380 4.2732 4.2732 4.5479 4.5479 4.7675 4.7675 5.2842 5.2842 5.6988 5.6988 6.7495 6.7495 9.1024 9.1024 11.1658 11.1658 13.6608 13.6608 14.4561 14.4561 k = 0.0000 0.2667 0.2569 ( 2306 PWs) bands (ev): -21.3222 -21.3222 -10.5887 -10.5887 -9.9701 -9.9701 -4.9296 -4.9296 -4.7364 -4.7364 -4.0525 -4.0525 0.4370 0.4370 1.1713 1.1713 2.2358 2.2358 3.7217 3.7217 4.2748 4.2748 4.5567 4.5567 4.7549 4.7549 5.2816 5.2816 5.6705 5.6705 6.7635 6.7635 9.1054 9.1054 11.1589 11.1589 13.8055 13.8055 14.4412 14.4412 k = 0.0000 0.2572 0.2569 ( 2306 PWs) bands (ev): -21.3239 -21.3239 -10.5934 -10.5934 -9.9661 -9.9661 -4.9244 -4.9244 -4.7309 -4.7309 -4.0540 -4.0540 0.4381 0.4381 1.1723 1.1723 2.2499 2.2499 3.7049 3.7049 4.2768 4.2768 4.5649 4.5649 4.7426 4.7426 5.2788 5.2788 5.6422 5.6422 6.7782 6.7782 9.1086 9.1086 11.1537 11.1537 13.9502 13.9502 14.4248 14.4248 k = 0.0000 0.2477 0.2569 ( 2306 PWs) bands (ev): -21.3257 -21.3257 -10.5983 -10.5983 -9.9621 -9.9621 -4.9192 -4.9192 -4.7253 -4.7253 -4.0554 -4.0554 0.4393 0.4393 1.1734 1.1734 2.2641 2.2641 3.6878 3.6878 4.2791 4.2791 4.5721 4.5721 4.7309 4.7309 5.2760 5.2760 5.6143 5.6143 6.7934 6.7934 9.1118 9.1118 11.1500 11.1500 14.0898 14.0898 14.4064 14.4064 k = 0.0000 0.2381 0.2569 ( 2310 PWs) bands (ev): -21.3276 -21.3276 -10.6033 -10.6033 -9.9580 -9.9580 -4.9138 -4.9138 -4.7195 -4.7195 -4.0570 -4.0570 0.4406 0.4406 1.1746 1.1746 2.2783 2.2783 3.6706 3.6706 4.2818 4.2818 4.5777 4.5777 4.7204 4.7204 5.2731 5.2731 5.5868 5.5868 6.8091 6.8091 9.1151 9.1151 11.1477 11.1477 14.2088 14.2088 14.3860 14.3860 k = 0.0000 0.2286 0.2569 ( 2322 PWs) bands (ev): -21.3295 -21.3295 -10.6083 -10.6083 -9.9539 -9.9539 -4.9083 -4.9083 -4.7136 -4.7136 -4.0585 -4.0585 0.4418 0.4418 1.1757 1.1757 2.2924 2.2924 3.6535 3.6535 4.2847 4.2847 4.5814 4.5814 4.7117 4.7117 5.2701 5.2701 5.5601 5.5601 6.8253 6.8253 9.1185 9.1185 11.1466 11.1466 14.2633 14.2633 14.3702 14.3702 k = 0.0000 0.2191 0.2569 ( 2326 PWs) bands (ev): -21.3313 -21.3313 -10.6133 -10.6133 -9.9497 -9.9497 -4.9028 -4.9028 -4.7076 -4.7076 -4.0601 -4.0601 0.4431 0.4431 1.1768 1.1768 2.3062 2.3062 3.6365 3.6365 4.2879 4.2879 4.5822 4.5822 4.7055 4.7055 5.2670 5.2670 5.5341 5.5341 6.8418 6.8418 9.1219 9.1219 11.1467 11.1467 14.2288 14.2288 14.3609 14.3609 k = 0.0000 0.2096 0.2569 ( 2322 PWs) bands (ev): -21.3332 -21.3332 -10.6184 -10.6184 -9.9455 -9.9455 -4.8972 -4.8972 -4.7016 -4.7016 -4.0616 -4.0616 0.4445 0.4445 1.1780 1.1780 2.3196 2.3196 3.6199 3.6199 4.2913 4.2913 4.5799 4.5799 4.7024 4.7024 5.2638 5.2638 5.5090 5.5090 6.8586 6.8586 9.1253 9.1253 11.1478 11.1478 14.1553 14.1553 14.3449 14.3449 k = 0.0000 0.2000 0.2569 ( 2316 PWs) bands (ev): -21.3351 -21.3351 -10.6235 -10.6235 -9.9414 -9.9414 -4.8916 -4.8916 -4.6955 -4.6955 -4.0631 -4.0631 0.4458 0.4458 1.1792 1.1792 2.3325 2.3325 3.6037 3.6037 4.2948 4.2948 4.5743 4.5743 4.7025 4.7025 5.2606 5.2606 5.4850 5.4850 6.8756 6.8756 9.1287 9.1287 11.1498 11.1498 14.0695 14.0695 14.3255 14.3255 k = 0.0000 0.1905 0.2569 ( 2322 PWs) bands (ev): -21.3370 -21.3370 -10.6285 -10.6285 -9.9372 -9.9372 -4.8861 -4.8861 -4.6894 -4.6894 -4.0647 -4.0647 0.4471 0.4471 1.1803 1.1803 2.3448 2.3448 3.5882 3.5882 4.2985 4.2985 4.5659 4.5659 4.7052 4.7052 5.2572 5.2572 5.4621 5.4621 6.8926 6.8926 9.1322 9.1322 11.1525 11.1525 13.9801 13.9801 14.3046 14.3046 k = 0.0000 0.1810 0.2569 ( 2326 PWs) bands (ev): -21.3388 -21.3388 -10.6335 -10.6335 -9.9332 -9.9332 -4.8806 -4.8806 -4.6833 -4.6833 -4.0662 -4.0662 0.4484 0.4484 1.1815 1.1815 2.3564 2.3564 3.5734 3.5734 4.3023 4.3023 4.5555 4.5555 4.7101 4.7101 5.2538 5.2538 5.4404 5.4404 6.9097 6.9097 9.1356 9.1356 11.1559 11.1559 13.8903 13.8903 14.2828 14.2828 k = 0.0000 0.1715 0.2569 ( 2320 PWs) bands (ev): -21.3406 -21.3406 -10.6383 -10.6383 -9.9292 -9.9292 -4.8752 -4.8752 -4.6773 -4.6773 -4.0676 -4.0676 0.4498 0.4498 1.1826 1.1826 2.3673 2.3673 3.5595 3.5595 4.3061 4.3061 4.5437 4.5437 4.7163 4.7163 5.2502 5.2502 5.4199 5.4199 6.9268 6.9268 9.1389 9.1389 11.1599 11.1599 13.8019 13.8019 14.2606 14.2606 k = 0.0000 0.1619 0.2569 ( 2316 PWs) bands (ev): -21.3424 -21.3424 -10.6431 -10.6431 -9.9253 -9.9253 -4.8699 -4.8699 -4.6714 -4.6714 -4.0690 -4.0690 0.4511 0.4511 1.1837 1.1837 2.3772 2.3772 3.5465 3.5465 4.3100 4.3100 4.5310 4.5310 4.7235 4.7235 5.2465 5.2465 5.4008 5.4008 6.9437 6.9437 9.1422 9.1422 11.1642 11.1642 13.7156 13.7156 14.2379 14.2379 k = 0.0000 0.1524 0.2569 ( 2312 PWs) bands (ev): -21.3441 -21.3441 -10.6477 -10.6477 -9.9215 -9.9215 -4.8648 -4.8648 -4.6655 -4.6655 -4.0704 -4.0704 0.4524 0.4524 1.1848 1.1848 2.3863 2.3863 3.5346 3.5346 4.3138 4.3138 4.5179 4.5179 4.7313 4.7313 5.2427 5.2427 5.3830 5.3830 6.9603 6.9603 9.1454 9.1454 11.1689 11.1689 13.6321 13.6321 14.2149 14.2149 k = 0.0000 0.1429 0.2569 ( 2308 PWs) bands (ev): -21.3458 -21.3458 -10.6522 -10.6522 -9.9179 -9.9179 -4.8598 -4.8598 -4.6599 -4.6599 -4.0717 -4.0717 0.4536 0.4536 1.1859 1.1859 2.3945 2.3945 3.5237 3.5237 4.3175 4.3175 4.5048 4.5048 4.7394 4.7394 5.2386 5.2386 5.3666 5.3666 6.9766 6.9766 9.1485 9.1485 11.1738 11.1738 13.5520 13.5520 14.1918 14.1918 k = 0.0000 0.1334 0.2569 ( 2304 PWs) bands (ev): -21.3474 -21.3474 -10.6565 -10.6565 -9.9144 -9.9144 -4.8550 -4.8550 -4.6544 -4.6544 -4.0730 -4.0730 0.4548 0.4548 1.1869 1.1869 2.4017 2.4017 3.5140 3.5140 4.3212 4.3212 4.4917 4.4917 4.7475 4.7475 5.2343 5.2343 5.3517 5.3517 6.9925 6.9925 9.1515 9.1515 11.1789 11.1789 13.4755 13.4755 14.1687 14.1687 k = 0.0000 0.1238 0.2569 ( 2300 PWs) bands (ev): -21.3489 -21.3489 -10.6606 -10.6606 -9.9111 -9.9111 -4.8504 -4.8504 -4.6491 -4.6491 -4.0742 -4.0742 0.4560 0.4560 1.1879 1.1879 2.4080 2.4080 3.5054 3.5054 4.3248 4.3248 4.4790 4.4790 4.7556 4.7556 5.2297 5.2297 5.3383 5.3383 7.0078 7.0078 9.1543 9.1543 11.1839 11.1839 13.4029 13.4029 14.1460 14.1460 k = 0.0000 0.1143 0.2569 ( 2298 PWs) bands (ev): -21.3504 -21.3504 -10.6644 -10.6644 -9.9079 -9.9079 -4.8460 -4.8460 -4.6441 -4.6441 -4.0754 -4.0754 0.4571 0.4571 1.1888 1.1888 2.4133 2.4133 3.4978 3.4978 4.3282 4.3282 4.4667 4.4667 4.7636 4.7636 5.2248 5.2248 5.3265 5.3265 7.0225 7.0225 9.1570 9.1570 11.1890 11.1890 13.3346 13.3346 14.1236 14.1236 k = 0.0000 0.1048 0.2569 ( 2306 PWs) bands (ev): -21.3518 -21.3518 -10.6681 -10.6681 -9.9050 -9.9050 -4.8420 -4.8420 -4.6394 -4.6394 -4.0765 -4.0765 0.4581 0.4581 1.1897 1.1897 2.4178 2.4178 3.4913 3.4913 4.3314 4.3314 4.4550 4.4550 4.7712 4.7712 5.2197 5.2197 5.3161 5.3161 7.0365 7.0365 9.1596 9.1596 11.1939 11.1939 13.2708 13.2708 14.1020 14.1020 k = 0.0000 0.0953 0.2569 ( 2298 PWs) bands (ev): -21.3530 -21.3530 -10.6714 -10.6714 -9.9022 -9.9022 -4.8382 -4.8382 -4.6350 -4.6350 -4.0775 -4.0775 0.4591 0.4591 1.1905 1.1905 2.4215 2.4215 3.4858 3.4858 4.3345 4.3345 4.4441 4.4441 4.7786 4.7786 5.2144 5.2144 5.3072 5.3072 7.0496 7.0496 9.1619 9.1619 11.1986 11.1986 13.2117 13.2117 14.0814 14.0814 k = 0.0000 0.0857 0.2569 ( 2306 PWs) bands (ev): -21.3542 -21.3542 -10.6745 -10.6745 -9.8997 -9.8997 -4.8347 -4.8347 -4.6309 -4.6309 -4.0784 -4.0784 0.4600 0.4600 1.1913 1.1913 2.4245 2.4245 3.4812 3.4812 4.3373 4.3373 4.4338 4.4338 4.7855 4.7855 5.2091 5.2091 5.2996 5.2996 7.0619 7.0619 9.1641 9.1641 11.2031 11.2031 13.1575 13.1575 14.0618 14.0618 k = 0.0000 0.0762 0.2569 ( 2314 PWs) bands (ev): -21.3553 -21.3553 -10.6774 -10.6774 -9.8974 -9.8974 -4.8315 -4.8315 -4.6272 -4.6272 -4.0793 -4.0793 0.4608 0.4608 1.1920 1.1920 2.4269 2.4269 3.4774 3.4774 4.3399 4.3399 4.4245 4.4245 4.7919 4.7919 5.2037 5.2037 5.2933 5.2933 7.0731 7.0731 9.1660 9.1660 11.2073 11.2073 13.1084 13.1084 14.0436 14.0436 k = 0.0000 0.0667 0.2569 ( 2318 PWs) bands (ev): -21.3563 -21.3563 -10.6799 -10.6799 -9.8954 -9.8954 -4.8287 -4.8287 -4.6238 -4.6238 -4.0800 -4.0800 0.4616 0.4616 1.1926 1.1926 2.4287 2.4287 3.4744 3.4744 4.3422 4.3422 4.4161 4.4161 4.7978 4.7978 5.1986 5.1986 5.2881 5.2881 7.0832 7.0832 9.1678 9.1678 11.2111 11.2111 13.0647 13.0647 14.0271 14.0271 k = 0.0000 0.0572 0.2569 ( 2316 PWs) bands (ev): -21.3571 -21.3571 -10.6821 -10.6821 -9.8936 -9.8936 -4.8262 -4.8262 -4.6209 -4.6209 -4.0807 -4.0807 0.4622 0.4622 1.1931 1.1931 2.4301 2.4301 3.4720 3.4720 4.3443 4.3443 4.4086 4.4086 4.8030 4.8030 5.1938 5.1938 5.2839 5.2839 7.0922 7.0922 9.1694 9.1694 11.2145 11.2145 13.0265 13.0265 14.0123 14.0123 k = 0.0000 0.0476 0.2569 ( 2312 PWs) bands (ev): -21.3578 -21.3578 -10.6840 -10.6840 -9.8921 -9.8921 -4.8241 -4.8241 -4.6183 -4.6183 -4.0812 -4.0812 0.4628 0.4628 1.1936 1.1936 2.4310 2.4310 3.4701 3.4701 4.3460 4.3460 4.4022 4.4022 4.8076 4.8076 5.1895 5.1895 5.2805 5.2805 7.0999 7.0999 9.1707 9.1707 11.2174 11.2174 12.9939 12.9939 13.9995 13.9995 k = 0.0000 0.0381 0.2569 ( 2312 PWs) bands (ev): -21.3584 -21.3584 -10.6855 -10.6855 -9.8909 -9.8909 -4.8224 -4.8224 -4.6162 -4.6162 -4.0817 -4.0817 0.4633 0.4633 1.1940 1.1940 2.4317 2.4317 3.4687 3.4687 4.3475 4.3475 4.3970 4.3970 4.8114 4.8114 5.1857 5.1857 5.2779 5.2779 7.1063 7.1063 9.1718 9.1718 11.2199 11.2199 12.9670 12.9670 13.9888 13.9888 k = 0.0000 0.0286 0.2569 ( 2312 PWs) bands (ev): -21.3588 -21.3588 -10.6867 -10.6867 -9.8899 -9.8899 -4.8210 -4.8210 -4.6146 -4.6146 -4.0820 -4.0820 0.4636 0.4636 1.1943 1.1943 2.4322 2.4322 3.4678 3.4678 4.3487 4.3487 4.3928 4.3928 4.8144 4.8144 5.1827 5.1827 5.2760 5.2760 7.1113 7.1113 9.1726 9.1726 11.2218 11.2218 12.9460 12.9460 13.9804 13.9804 k = 0.0000 0.0191 0.2569 ( 2312 PWs) bands (ev): -21.3592 -21.3592 -10.6876 -10.6876 -9.8892 -9.8892 -4.8200 -4.8200 -4.6134 -4.6134 -4.0823 -4.0823 0.4639 0.4639 1.1945 1.1945 2.4325 2.4325 3.4671 3.4671 4.3495 4.3495 4.3898 4.3898 4.8166 4.8166 5.1805 5.1805 5.2746 5.2746 7.1150 7.1150 9.1732 9.1732 11.2232 11.2232 12.9309 12.9309 13.9742 13.9742 k = 0.0000 0.0095 0.2569 ( 2312 PWs) bands (ev): -21.3594 -21.3594 -10.6881 -10.6881 -9.8888 -9.8888 -4.8194 -4.8194 -4.6127 -4.6127 -4.0825 -4.0825 0.4640 0.4640 1.1946 1.1946 2.4326 2.4326 3.4667 3.4667 4.3500 4.3500 4.3880 4.3880 4.8179 4.8179 5.1792 5.1792 5.2738 5.2738 7.1172 7.1172 9.1736 9.1736 11.2241 11.2241 12.9219 12.9219 13.9705 13.9705 k = 0.0000 0.0000 0.2569 ( 2304 PWs) bands (ev): -21.3594 -21.3594 -10.6883 -10.6883 -9.8886 -9.8886 -4.8192 -4.8192 -4.6124 -4.6124 -4.0825 -4.0825 0.4641 0.4641 1.1947 1.1947 2.4327 2.4327 3.4666 3.4666 4.3502 4.3502 4.3874 4.3874 4.8183 4.8183 5.1787 5.1787 5.2736 5.2736 7.1179 7.1179 9.1737 9.1737 11.2244 11.2244 12.9189 12.9189 13.9693 13.9693 k = 0.0000 0.4191-0.0000 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.7364 -10.7364 -9.7483 -9.7483 -5.0344 -5.0344 -4.8434 -4.8434 -4.0410 -4.0410 0.4325 0.4325 1.1482 1.1482 2.3314 2.3314 3.9259 3.9259 3.9292 3.9292 4.1366 4.1366 5.1586 5.1586 5.5301 5.5301 5.7559 5.7559 6.9569 6.9569 9.2475 9.2475 11.0730 11.0730 12.2627 12.2627 14.5712 14.5712 k = 0.0000 0.4191 0.0095 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.7359 -10.7359 -9.7490 -9.7490 -5.0342 -5.0342 -4.8432 -4.8432 -4.0410 -4.0410 0.4325 0.4325 1.1482 1.1482 2.3305 2.3305 3.9171 3.9171 3.9396 3.9396 4.1370 4.1370 5.1589 5.1589 5.5263 5.5263 5.7587 5.7587 6.9559 6.9559 9.2469 9.2469 11.0741 11.0741 12.2626 12.2626 14.5712 14.5712 k = 0.0000 0.4191 0.0190 ( 2300 PWs) bands (ev): -21.3066 -21.3066 -10.7345 -10.7345 -9.7511 -9.7511 -5.0334 -5.0334 -4.8427 -4.8427 -4.0410 -4.0410 0.4325 0.4325 1.1483 1.1483 2.3278 2.3278 3.9082 3.9082 3.9531 3.9531 4.1380 4.1380 5.1598 5.1598 5.5155 5.5155 5.7663 5.7663 6.9530 6.9530 9.2452 9.2452 11.0772 11.0772 12.2623 12.2623 14.5713 14.5713 k = 0.0000 0.4191 0.0285 ( 2296 PWs) bands (ev): -21.3066 -21.3066 -10.7321 -10.7321 -9.7547 -9.7547 -5.0322 -5.0322 -4.8419 -4.8419 -4.0409 -4.0409 0.4324 0.4324 1.1485 1.1485 2.3232 2.3232 3.9007 3.9007 3.9684 3.9684 4.1396 4.1396 5.1613 5.1613 5.4989 5.4989 5.7776 5.7776 6.9482 6.9482 9.2425 9.2425 11.0823 11.0823 12.2619 12.2619 14.5714 14.5714 k = 0.0000 0.4191 0.0381 ( 2294 PWs) bands (ev): -21.3066 -21.3066 -10.7287 -10.7287 -9.7596 -9.7596 -5.0305 -5.0305 -4.8408 -4.8408 -4.0409 -4.0409 0.4323 0.4323 1.1488 1.1488 2.3170 2.3170 3.8943 3.8943 3.9852 3.9852 4.1420 4.1420 5.1633 5.1633 5.4780 5.4780 5.7913 5.7913 6.9415 6.9415 9.2386 9.2386 11.0894 11.0894 12.2614 12.2614 14.5716 14.5716 k = 0.0000 0.4191 0.0476 ( 2286 PWs) bands (ev): -21.3066 -21.3066 -10.7245 -10.7245 -9.7658 -9.7658 -5.0284 -5.0284 -4.8394 -4.8394 -4.0408 -4.0408 0.4322 0.4322 1.1492 1.1492 2.3093 2.3093 3.8890 3.8890 4.0037 4.0037 4.1452 4.1452 5.1657 5.1657 5.4542 5.4542 5.8061 5.8061 6.9331 6.9331 9.2338 9.2338 11.0984 11.0984 12.2608 12.2608 14.5718 14.5718 k = 0.0000 0.4191 0.0571 ( 2290 PWs) bands (ev): -21.3066 -21.3066 -10.7193 -10.7193 -9.7734 -9.7734 -5.0259 -5.0259 -4.8376 -4.8376 -4.0408 -4.0408 0.4321 0.4321 1.1496 1.1496 2.3001 2.3001 3.8846 3.8846 4.0236 4.0236 4.1492 4.1492 5.1683 5.1683 5.4282 5.4282 5.8214 5.8214 6.9230 6.9230 9.2279 9.2279 11.1091 11.1091 12.2603 12.2603 14.5720 14.5720 k = 0.0000 0.4191 0.0666 ( 2306 PWs) bands (ev): -21.3066 -21.3066 -10.7133 -10.7133 -9.7822 -9.7822 -5.0232 -5.0232 -4.8357 -4.8357 -4.0408 -4.0408 0.4319 0.4319 1.1501 1.1501 2.2898 2.2898 3.8811 3.8811 4.0446 4.0446 4.1542 4.1542 5.1709 5.1709 5.4011 5.4011 5.8365 5.8365 6.9113 6.9113 9.2212 9.2212 11.1215 11.1215 12.2598 12.2598 14.5721 14.5721 k = 0.0000 0.4191 0.0761 ( 2306 PWs) bands (ev): -21.3066 -21.3066 -10.7064 -10.7064 -9.7920 -9.7920 -5.0201 -5.0201 -4.8334 -4.8334 -4.0407 -4.0407 0.4317 0.4317 1.1507 1.1507 2.2785 2.2785 3.8782 3.8782 4.0664 4.0664 4.1604 4.1604 5.1731 5.1731 5.3736 5.3736 5.8512 5.8512 6.8982 6.8982 9.2138 9.2138 11.1355 11.1355 12.2595 12.2595 14.5723 14.5723 k = 0.0000 0.4191 0.0856 ( 2306 PWs) bands (ev): -21.3066 -21.3066 -10.6987 -10.6987 -9.8030 -9.8030 -5.0169 -5.0169 -4.8308 -4.8308 -4.0407 -4.0407 0.4314 0.4314 1.1513 1.1513 2.2663 2.2663 3.8759 3.8759 4.0884 4.0884 4.1682 4.1682 5.1742 5.1742 5.3466 5.3466 5.8652 5.8652 6.8837 6.8837 9.2056 9.2056 11.1508 11.1508 12.2594 12.2594 14.5723 14.5723 k = 0.0000 0.4191 0.0951 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.6904 -10.6904 -9.8149 -9.8149 -5.0134 -5.0134 -4.8280 -4.8280 -4.0406 -4.0406 0.4312 0.4312 1.1519 1.1519 2.2536 2.2536 3.8741 3.8741 4.1099 4.1099 4.1782 4.1782 5.1733 5.1733 5.3215 5.3215 5.8784 5.8784 6.8682 6.8682 9.1969 9.1969 11.1673 11.1673 12.2595 12.2595 14.5723 14.5723 k = 0.0000 0.4191 0.1047 ( 2304 PWs) bands (ev): -21.3066 -21.3066 -10.6813 -10.6813 -9.8276 -9.8276 -5.0099 -5.0099 -4.8250 -4.8250 -4.0405 -4.0405 0.4309 0.4309 1.1527 1.1527 2.2404 2.2404 3.8727 3.8727 4.1297 4.1297 4.1912 4.1912 5.1688 5.1688 5.2998 5.2998 5.8907 5.8907 6.8517 6.8517 9.1877 9.1877 11.1847 11.1847 12.2599 12.2599 14.5722 14.5722 k = 0.0000 0.4191 0.1142 ( 2304 PWs) bands (ev): -21.3066 -21.3066 -10.6717 -10.6717 -9.8411 -9.8411 -5.0064 -5.0064 -4.8218 -4.8218 -4.0404 -4.0404 0.4307 0.4307 1.1534 1.1534 2.2271 2.2271 3.8717 3.8717 4.1469 4.1469 4.2078 4.2078 5.1588 5.1588 5.2837 5.2837 5.9021 5.9021 6.8345 6.8345 9.1782 9.1782 11.2030 11.2030 12.2606 12.2606 14.5719 14.5719 k = 0.0000 0.4191 0.1237 ( 2296 PWs) bands (ev): -21.3066 -21.3066 -10.6615 -10.6615 -9.8551 -9.8551 -5.0028 -5.0028 -4.8184 -4.8184 -4.0403 -4.0403 0.4304 0.4304 1.1542 1.1542 2.2138 2.2138 3.8710 3.8710 4.1615 4.1615 4.2278 4.2278 5.1427 5.1427 5.2740 5.2740 5.9124 5.9124 6.8167 6.8167 9.1684 9.1684 11.2218 11.2218 12.2617 12.2617 14.5715 14.5715 k = 0.0000 0.4191 0.1332 ( 2294 PWs) bands (ev): -21.3066 -21.3066 -10.6509 -10.6509 -9.8696 -9.8696 -4.9994 -4.9994 -4.8149 -4.8149 -4.0402 -4.0402 0.4300 0.4300 1.1550 1.1550 2.2006 2.2006 3.8705 3.8705 4.1742 4.1742 4.2502 4.2502 5.1213 5.1213 5.2701 5.2701 5.9219 5.9219 6.7986 6.7986 9.1586 9.1586 11.2409 11.2409 12.2630 12.2630 14.5710 14.5710 k = 0.0000 0.4191 0.1427 ( 2298 PWs) bands (ev): -21.3066 -21.3066 -10.6400 -10.6400 -9.8843 -9.8843 -4.9960 -4.9960 -4.8114 -4.8114 -4.0401 -4.0401 0.4297 0.4297 1.1558 1.1558 2.1877 2.1877 3.8701 3.8701 4.1859 4.1859 4.2736 4.2736 5.0966 5.0966 5.2700 5.2700 5.9303 5.9303 6.7805 6.7805 9.1488 9.1488 11.2600 11.2600 12.2646 12.2646 14.5702 14.5702 k = 0.0000 0.4191 0.1522 ( 2298 PWs) bands (ev): -21.3066 -21.3066 -10.6289 -10.6289 -9.8992 -9.8992 -4.9929 -4.9929 -4.8078 -4.8078 -4.0400 -4.0400 0.4294 0.4294 1.1566 1.1566 2.1754 2.1754 3.8700 3.8700 4.1971 4.1971 4.2972 4.2972 5.0702 5.0702 5.2722 5.2722 5.9379 5.9379 6.7625 6.7625 9.1391 9.1391 11.2789 11.2789 12.2664 12.2664 14.5693 14.5693 k = 0.0000 0.4191 0.1617 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.6178 -10.6178 -9.9139 -9.9139 -4.9899 -4.9899 -4.8043 -4.8043 -4.0400 -4.0400 0.4291 0.4291 1.1573 1.1573 2.1637 2.1637 3.8699 3.8699 4.2081 4.2081 4.3203 4.3203 5.0434 5.0434 5.2758 5.2758 5.9446 5.9446 6.7450 6.7450 9.1298 9.1298 11.2974 11.2974 12.2685 12.2685 14.5683 14.5683 k = 0.0000 0.4191 0.1713 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.6068 -10.6068 -9.9284 -9.9284 -4.9871 -4.9871 -4.8009 -4.8009 -4.0399 -4.0399 0.4288 0.4288 1.1581 1.1581 2.1527 2.1527 3.8699 3.8699 4.2190 4.2190 4.3423 4.3423 5.0171 5.0171 5.2800 5.2800 5.9504 5.9504 6.7281 6.7281 9.1209 9.1209 11.3151 11.3151 12.2706 12.2706 14.5672 14.5672 k = 0.0000 0.4191 0.1808 ( 2304 PWs) bands (ev): -21.3066 -21.3066 -10.5961 -10.5961 -9.9423 -9.9423 -4.9846 -4.9846 -4.7977 -4.7977 -4.0398 -4.0398 0.4285 0.4285 1.1588 1.1588 2.1425 2.1425 3.8700 3.8700 4.2298 4.2298 4.3629 4.3629 4.9918 4.9918 5.2845 5.2845 5.9554 5.9554 6.7122 6.7122 9.1126 9.1126 11.3319 11.3319 12.2728 12.2728 14.5659 14.5659 k = 0.0000 0.4191 0.1903 ( 2304 PWs) bands (ev): -21.3066 -21.3066 -10.5859 -10.5859 -9.9554 -9.9554 -4.9824 -4.9824 -4.7947 -4.7947 -4.0397 -4.0397 0.4282 0.4282 1.1594 1.1594 2.1334 2.1334 3.8702 3.8702 4.2403 4.2403 4.3815 4.3815 4.9682 4.9682 5.2889 5.2889 5.9597 5.9597 6.6974 6.6974 9.1050 9.1050 11.3473 11.3473 12.2749 12.2749 14.5646 14.5646 k = 0.0000 0.4191 0.1998 ( 2302 PWs) bands (ev): -21.3066 -21.3066 -10.5764 -10.5764 -9.9675 -9.9675 -4.9804 -4.9804 -4.7919 -4.7919 -4.0397 -4.0397 0.4279 0.4279 1.1600 1.1600 2.1253 2.1253 3.8703 3.8703 4.2505 4.2505 4.3981 4.3981 4.9467 4.9467 5.2930 5.2930 5.9633 5.9633 6.6840 6.6840 9.0981 9.0981 11.3613 11.3613 12.2769 12.2769 14.5634 14.5634 k = 0.0000 0.4191 0.2093 ( 2298 PWs) bands (ev): -21.3066 -21.3066 -10.5678 -10.5678 -9.9784 -9.9784 -4.9787 -4.9787 -4.7895 -4.7895 -4.0396 -4.0396 0.4277 0.4277 1.1605 1.1605 2.1183 2.1183 3.8705 3.8705 4.2598 4.2598 4.4122 4.4122 4.9276 4.9276 5.2967 5.2967 5.9663 5.9663 6.6723 6.6723 9.0921 9.0921 11.3736 11.3736 12.2788 12.2788 14.5622 14.5622 k = 0.0000 0.4191 0.2188 ( 2302 PWs) bands (ev): -21.3067 -21.3067 -10.5603 -10.5603 -9.9877 -9.9877 -4.9773 -4.9773 -4.7874 -4.7874 -4.0396 -4.0396 0.4275 0.4275 1.1610 1.1610 2.1125 2.1125 3.8706 3.8706 4.2682 4.2682 4.4239 4.4239 4.9115 4.9115 5.2999 5.2999 5.9687 5.9687 6.6624 6.6624 9.0871 9.0871 11.3839 11.3839 12.2804 12.2804 14.5610 14.5610 k = 0.0000 0.4191 0.2283 ( 2304 PWs) bands (ev): -21.3067 -21.3067 -10.5543 -10.5543 -9.9953 -9.9953 -4.9762 -4.9762 -4.7858 -4.7858 -4.0396 -4.0396 0.4273 0.4273 1.1613 1.1613 2.1079 2.1079 3.8707 3.8707 4.2752 4.2752 4.4329 4.4329 4.8985 4.8985 5.3025 5.3025 5.9704 5.9704 6.6545 6.6545 9.0832 9.0832 11.3922 11.3922 12.2817 12.2817 14.5601 14.5601 k = 0.0000 0.4191 0.2379 ( 2308 PWs) bands (ev): -21.3067 -21.3067 -10.5498 -10.5498 -10.0009 -10.0009 -4.9755 -4.9755 -4.7846 -4.7846 -4.0395 -4.0395 0.4272 0.4272 1.1616 1.1616 2.1046 2.1046 3.8708 3.8708 4.2805 4.2805 4.4393 4.4393 4.8891 4.8891 5.3044 5.3044 5.9717 5.9717 6.6488 6.6488 9.0803 9.0803 11.3981 11.3981 12.2827 12.2827 14.5594 14.5594 k = 0.0000 0.4191 0.2474 ( 2312 PWs) bands (ev): -21.3067 -21.3067 -10.5470 -10.5470 -10.0043 -10.0043 -4.9750 -4.9750 -4.7839 -4.7839 -4.0395 -4.0395 0.4272 0.4272 1.1617 1.1617 2.1027 2.1027 3.8708 3.8708 4.2839 4.2839 4.4431 4.4431 4.8834 4.8834 5.3056 5.3056 5.9724 5.9724 6.6453 6.6453 9.0785 9.0785 11.4018 11.4018 12.2833 12.2833 14.5590 14.5590 k = 0.0000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.3067 -21.3067 -10.5461 -10.5461 -10.0055 -10.0055 -4.9749 -4.9749 -4.7837 -4.7837 -4.0395 -4.0395 0.4271 0.4271 1.1618 1.1618 2.1020 2.1020 3.8709 3.8709 4.2850 4.2850 4.4444 4.4444 4.8814 4.8814 5.3059 5.3059 5.9727 5.9727 6.6441 6.6441 9.0779 9.0779 11.4030 11.4030 12.2835 12.2835 14.5588 14.5588 k = 0.5000-0.0000 0.2569 ( 2348 PWs) bands (ev): -21.1190 -21.1190 -10.2923 -10.2923 -9.7806 -9.7806 -5.4802 -5.4802 -4.7568 -4.7568 -4.4067 -4.4067 0.9143 0.9143 1.8610 1.8610 2.3473 2.3473 3.2773 3.2773 3.5870 3.5870 4.1019 4.1019 4.3413 4.3413 5.2544 5.2544 5.7326 5.7326 7.1341 7.1341 8.7789 8.7789 13.2120 13.2120 13.4159 13.4159 15.1051 15.1051 k = 0.5000-0.0000 0.2474 ( 2348 PWs) bands (ev): -21.1190 -21.1190 -10.2920 -10.2920 -9.7811 -9.7811 -5.4801 -5.4801 -4.7567 -4.7567 -4.4067 -4.4067 0.9133 0.9133 1.8614 1.8614 2.3473 2.3473 3.2788 3.2788 3.5870 3.5870 4.1017 4.1017 4.3398 4.3398 5.2544 5.2544 5.7334 5.7334 7.1334 7.1334 8.7804 8.7804 13.2083 13.2083 13.4173 13.4173 15.1097 15.1097 k = 0.5000-0.0000 0.2379 ( 2352 PWs) bands (ev): -21.1190 -21.1190 -10.2909 -10.2909 -9.7824 -9.7824 -5.4798 -5.4798 -4.7563 -4.7563 -4.4067 -4.4067 0.9101 0.9101 1.8628 1.8628 2.3471 2.3471 3.2832 3.2832 3.5868 3.5868 4.1014 4.1014 4.3351 4.3351 5.2542 5.2542 5.7355 5.7355 7.1314 7.1314 8.7849 8.7849 13.1976 13.1976 13.4217 13.4217 15.1233 15.1233 k = 0.5000-0.0000 0.2283 ( 2342 PWs) bands (ev): -21.1190 -21.1190 -10.2891 -10.2891 -9.7847 -9.7847 -5.4792 -5.4792 -4.7556 -4.7556 -4.4066 -4.4066 0.9050 0.9050 1.8650 1.8650 2.3470 2.3470 3.2904 3.2904 3.5866 3.5866 4.1007 4.1007 4.3275 4.3275 5.2538 5.2538 5.7390 5.7390 7.1281 7.1281 8.7924 8.7924 13.1803 13.1803 13.4289 13.4289 15.1454 15.1454 k = 0.5000-0.0000 0.2188 ( 2342 PWs) bands (ev): -21.1190 -21.1190 -10.2865 -10.2865 -9.7878 -9.7878 -5.4785 -5.4785 -4.7547 -4.7547 -4.4065 -4.4065 0.8979 0.8979 1.8680 1.8680 2.3468 2.3468 3.3002 3.3002 3.5863 3.5863 4.0998 4.0998 4.3170 4.3170 5.2534 5.2534 5.7440 5.7440 7.1234 7.1234 8.8026 8.8026 13.1569 13.1569 13.4390 13.4390 15.1751 15.1751 k = 0.5000-0.0000 0.2093 ( 2342 PWs) bands (ev): -21.1190 -21.1190 -10.2833 -10.2833 -9.7918 -9.7918 -5.4776 -5.4776 -4.7535 -4.7535 -4.4063 -4.4063 0.8890 0.8890 1.8718 1.8718 2.3466 2.3466 3.3125 3.3125 3.5859 3.5859 4.0985 4.0985 4.3039 4.3039 5.2527 5.2527 5.7502 5.7502 7.1174 7.1174 8.8155 8.8155 13.1283 13.1283 13.4520 13.4520 15.2112 15.2112 k = 0.5000-0.0000 0.1998 ( 2350 PWs) bands (ev): -21.1191 -21.1191 -10.2794 -10.2794 -9.7966 -9.7966 -5.4765 -5.4765 -4.7521 -4.7521 -4.4061 -4.4061 0.8784 0.8784 1.8764 1.8764 2.3465 2.3465 3.3269 3.3269 3.5856 3.5856 4.0969 4.0969 4.2883 4.2883 5.2520 5.2520 5.7577 5.7577 7.1102 7.1102 8.8308 8.8308 13.0954 13.0954 13.4677 13.4677 15.2526 15.2526 k = 0.5000-0.0000 0.1903 ( 2338 PWs) bands (ev): -21.1191 -21.1191 -10.2747 -10.2747 -9.8023 -9.8023 -5.4752 -5.4752 -4.7505 -4.7505 -4.4059 -4.4059 0.8664 0.8664 1.8817 1.8817 2.3467 2.3467 3.3430 3.3430 3.5853 3.5853 4.0950 4.0950 4.2707 4.2707 5.2510 5.2510 5.7665 5.7665 7.1019 7.1019 8.8484 8.8484 13.0590 13.0590 13.4863 13.4863 15.2978 15.2978 k = 0.5000-0.0000 0.1808 ( 2338 PWs) bands (ev): -21.1191 -21.1191 -10.2694 -10.2694 -9.8087 -9.8087 -5.4738 -5.4738 -4.7487 -4.7487 -4.4057 -4.4057 0.8530 0.8530 1.8877 1.8877 2.3470 2.3470 3.3606 3.3606 3.5852 3.5852 4.0926 4.0926 4.2514 4.2514 5.2499 5.2499 5.7764 5.7764 7.0924 7.0924 8.8680 8.8680 13.0199 13.0199 13.5076 13.5076 15.3454 15.3454 k = 0.5000-0.0000 0.1713 ( 2334 PWs) bands (ev): -21.1191 -21.1191 -10.2634 -10.2634 -9.8159 -9.8159 -5.4722 -5.4722 -4.7468 -4.7468 -4.4054 -4.4054 0.8387 0.8387 1.8942 1.8942 2.3476 2.3476 3.3791 3.3791 3.5853 3.5853 4.0897 4.0897 4.2308 4.2308 5.2485 5.2485 5.7873 5.7873 7.0819 7.0819 8.8893 8.8893 12.9790 12.9790 13.5317 13.5317 15.3938 15.3938 k = 0.5000-0.0000 0.1617 ( 2334 PWs) bands (ev): -21.1191 -21.1191 -10.2569 -10.2569 -9.8238 -9.8238 -5.4706 -5.4706 -4.7447 -4.7447 -4.4051 -4.4051 0.8234 0.8234 1.9013 1.9013 2.3486 2.3486 3.3981 3.3981 3.5857 3.5857 4.0859 4.0859 4.2096 4.2096 5.2470 5.2470 5.7991 5.7991 7.0705 7.0705 8.9120 8.9120 12.9370 12.9370 13.5585 13.5585 15.4419 15.4419 k = 0.5000-0.0000 0.1522 ( 2328 PWs) bands (ev): -21.1191 -21.1191 -10.2497 -10.2497 -9.8324 -9.8324 -5.4689 -5.4689 -4.7425 -4.7425 -4.4048 -4.4048 0.8076 0.8076 1.9087 1.9087 2.3501 2.3501 3.4171 3.4171 3.5867 3.5867 4.0811 4.0811 4.1884 4.1884 5.2454 5.2454 5.8118 5.8118 7.0583 7.0583 8.9358 8.9358 12.8945 12.8945 13.5880 13.5880 15.4883 15.4883 k = 0.5000-0.0000 0.1427 ( 2326 PWs) bands (ev): -21.1191 -21.1191 -10.2419 -10.2419 -9.8416 -9.8416 -5.4671 -5.4671 -4.7402 -4.7402 -4.4045 -4.4045 0.7914 0.7914 1.9163 1.9163 2.3519 2.3519 3.4354 3.4354 3.5883 3.5883 4.0745 4.0745 4.1683 4.1683 5.2435 5.2435 5.8252 5.8252 7.0454 7.0454 8.9604 8.9604 12.8522 12.8522 13.6201 13.6201 15.5322 15.5322 k = 0.5000-0.0000 0.1332 ( 2326 PWs) bands (ev): -21.1192 -21.1192 -10.2336 -10.2336 -9.8513 -9.8513 -5.4652 -5.4652 -4.7379 -4.7379 -4.4042 -4.4042 0.7750 0.7750 1.9242 1.9242 2.3543 2.3543 3.4526 3.4526 3.5909 3.5909 4.0656 4.0656 4.1504 4.1504 5.2415 5.2415 5.8391 5.8391 7.0320 7.0320 8.9853 8.9853 12.8105 12.8105 13.6548 13.6548 15.5728 15.5728 k = 0.5000-0.0000 0.1237 ( 2322 PWs) bands (ev): -21.1192 -21.1192 -10.2248 -10.2248 -9.8616 -9.8616 -5.4634 -5.4634 -4.7356 -4.7356 -4.4038 -4.4038 0.7587 0.7587 1.9320 1.9320 2.3571 2.3571 3.4680 3.4680 3.5945 3.5945 4.0538 4.0538 4.1357 4.1357 5.2394 5.2394 5.8534 5.8534 7.0182 7.0182 9.0103 9.0103 12.7699 12.7699 13.6920 13.6920 15.6097 15.6097 k = 0.5000-0.0000 0.1142 ( 2326 PWs) bands (ev): -21.1192 -21.1192 -10.2156 -10.2156 -9.8723 -9.8723 -5.4616 -5.4616 -4.7333 -4.7333 -4.4035 -4.4035 0.7427 0.7427 1.9398 1.9398 2.3604 2.3604 3.4812 3.4812 3.5993 3.5993 4.0392 4.0392 4.1246 4.1246 5.2373 5.2373 5.8679 5.8679 7.0041 7.0041 9.0351 9.0351 12.7308 12.7308 13.7314 13.7314 15.6424 15.6424 k = 0.5000-0.0000 0.1047 ( 2322 PWs) bands (ev): -21.1192 -21.1192 -10.2059 -10.2059 -9.8834 -9.8834 -5.4598 -5.4598 -4.7310 -4.7310 -4.4031 -4.4031 0.7272 0.7272 1.9473 1.9473 2.3642 2.3642 3.4918 3.4918 3.6051 3.6051 4.0228 4.0228 4.1166 4.1166 5.2350 5.2350 5.8824 5.8824 6.9899 6.9899 9.0593 9.0593 12.6936 12.6936 13.7731 13.7731 15.6688 15.6689 k = 0.5000-0.0000 0.0951 ( 2322 PWs) bands (ev): -21.1192 -21.1192 -10.1960 -10.1960 -9.8947 -9.8947 -5.4581 -5.4581 -4.7288 -4.7288 -4.4028 -4.4028 0.7123 0.7123 1.9545 1.9545 2.3683 2.3683 3.5000 3.5000 3.6114 3.6114 4.0060 4.0060 4.1108 4.1108 5.2327 5.2327 5.8968 5.8968 6.9759 6.9759 9.0827 9.0827 12.6586 12.6586 13.8167 13.8167 15.6548 15.6548 k = 0.5000-0.0000 0.0856 ( 2314 PWs) bands (ev): -21.1192 -21.1192 -10.1857 -10.1857 -9.9063 -9.9063 -5.4564 -5.4564 -4.7267 -4.7267 -4.4025 -4.4025 0.6983 0.6983 1.9613 1.9613 2.3727 2.3727 3.5061 3.5061 3.6178 3.6178 3.9900 3.9900 4.1064 4.1064 5.2305 5.2305 5.9108 5.9108 6.9623 6.9623 9.1048 9.1048 12.6261 12.6261 13.8619 13.8619 15.5689 15.5689 k = 0.5000-0.0000 0.0761 ( 2314 PWs) bands (ev): -21.1193 -21.1193 -10.1753 -10.1753 -9.9179 -9.9179 -5.4549 -5.4549 -4.7247 -4.7247 -4.4022 -4.4022 0.6854 0.6854 1.9676 1.9676 2.3773 2.3773 3.5104 3.5104 3.6234 3.6234 3.9757 3.9757 4.1031 4.1031 5.2283 5.2283 5.9242 5.9242 6.9492 6.9492 9.1254 9.1254 12.5964 12.5964 13.9082 13.9082 15.4788 15.4788 k = 0.5000-0.0000 0.0666 ( 2314 PWs) bands (ev): -21.1193 -21.1193 -10.1649 -10.1649 -9.9294 -9.9294 -5.4535 -5.4535 -4.7229 -4.7229 -4.4020 -4.4020 0.6736 0.6736 1.9732 1.9732 2.3819 2.3819 3.5134 3.5134 3.6279 3.6279 3.9634 3.9634 4.1005 4.1005 5.2263 5.2263 5.9368 5.9368 6.9368 6.9369 9.1443 9.1443 12.5697 12.5697 13.9552 13.9552 15.3918 15.3918 k = 0.5000-0.0000 0.0571 ( 2322 PWs) bands (ev): -21.1193 -21.1193 -10.1547 -10.1547 -9.9407 -9.9407 -5.4523 -5.4523 -4.7213 -4.7213 -4.4017 -4.4017 0.6631 0.6631 1.9782 1.9782 2.3864 2.3864 3.5154 3.5154 3.6310 3.6310 3.9536 3.9536 4.0983 4.0983 5.2244 5.2244 5.9483 5.9483 6.9256 6.9256 9.1611 9.1611 12.5461 12.5461 14.0020 14.0020 15.3098 15.3098 k = 0.5000-0.0000 0.0476 ( 2322 PWs) bands (ev): -21.1193 -21.1193 -10.1448 -10.1448 -9.9515 -9.9515 -5.4512 -5.4512 -4.7199 -4.7199 -4.4015 -4.4015 0.6540 0.6540 1.9825 1.9825 2.3906 2.3906 3.5168 3.5168 3.6327 3.6327 3.9461 3.9461 4.0967 4.0967 5.2227 5.2227 5.9586 5.9586 6.9155 6.9155 9.1758 9.1758 12.5259 12.5259 14.0474 14.0474 15.2342 15.2342 k = 0.5000-0.0000 0.0381 ( 2314 PWs) bands (ev): -21.1193 -21.1193 -10.1355 -10.1355 -9.9614 -9.9614 -5.4503 -5.4503 -4.7187 -4.7187 -4.4014 -4.4014 0.6465 0.6465 1.9861 1.9861 2.3944 2.3944 3.5177 3.5177 3.6331 3.6331 3.9408 3.9408 4.0953 4.0953 5.2212 5.2212 5.9673 5.9673 6.9069 6.9069 9.1881 9.1881 12.5092 12.5092 14.0899 14.0899 15.1668 15.1668 k = 0.5000-0.0000 0.0285 ( 2314 PWs) bands (ev): -21.1193 -21.1193 -10.1274 -10.1274 -9.9701 -9.9701 -5.4496 -5.4496 -4.7177 -4.7177 -4.4012 -4.4012 0.6405 0.6405 1.9888 1.9888 2.3975 2.3975 3.5183 3.5183 3.6329 3.6329 3.9373 3.9373 4.0943 4.0943 5.2201 5.2201 5.9743 5.9743 6.9000 6.9000 9.1978 9.1978 12.4960 12.4960 14.1273 14.1273 15.1098 15.1098 k = 0.5000-0.0000 0.0190 ( 2312 PWs) bands (ev): -21.1193 -21.1193 -10.1209 -10.1209 -9.9770 -9.9770 -5.4491 -5.4491 -4.7170 -4.7170 -4.4011 -4.4011 0.6362 0.6362 1.9908 1.9908 2.3998 2.3998 3.5186 3.5186 3.6323 3.6323 3.9351 3.9351 4.0936 4.0936 5.2192 5.2192 5.9795 5.9795 6.8950 6.8950 9.2048 9.2048 12.4866 12.4866 14.1572 14.1572 15.0660 15.0660 k = 0.5000-0.0000 0.0095 ( 2308 PWs) bands (ev): -21.1193 -21.1193 -10.1166 -10.1166 -9.9816 -9.9816 -5.4487 -5.4487 -4.7166 -4.7166 -4.4010 -4.4010 0.6336 0.6336 1.9920 1.9920 2.4013 2.4013 3.5188 3.5188 3.6317 3.6317 3.9339 3.9339 4.0932 4.0932 5.2187 5.2187 5.9827 5.9827 6.8919 6.8919 9.2091 9.2091 12.4809 12.4809 14.1767 14.1767 15.0381 15.0381 k = 0.5000-0.0000-0.0000 ( 2308 PWs) bands (ev): -21.1193 -21.1193 -10.1152 -10.1152 -9.9831 -9.9831 -5.4486 -5.4486 -4.7165 -4.7165 -4.4010 -4.4010 0.6328 0.6328 1.9924 1.9924 2.4017 2.4017 3.5189 3.5189 3.6315 3.6315 3.9335 3.9335 4.0931 4.0931 5.2185 5.2185 5.9837 5.9837 6.8909 6.8909 9.2105 9.2105 12.4790 12.4790 14.1835 14.1835 15.0284 15.0284 k = 0.5000 0.4191-0.0000 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.0573 -10.0573 -9.8296 -9.8296 -5.5798 -5.5798 -4.9312 -4.9312 -4.5846 -4.5846 0.9303 0.9303 1.7206 1.7206 2.3493 2.3493 3.4096 3.4096 3.5721 3.5721 3.6997 3.6997 4.5734 4.5734 5.2026 5.2026 5.9893 5.9893 6.8901 6.8901 9.2713 9.2713 11.4496 11.4496 14.7750 14.7750 15.2940 15.2940 k = 0.5000 0.4191 0.0095 ( 2312 PWs) bands (ev): -21.0799 -21.0799 -10.0578 -10.0578 -9.8290 -9.8290 -5.5798 -5.5798 -4.9311 -4.9311 -4.5846 -4.5846 0.9295 0.9295 1.7201 1.7201 2.3471 2.3471 3.4112 3.4112 3.5719 3.5719 3.7025 3.7025 4.5734 4.5734 5.2036 5.2036 5.9892 5.9892 6.8894 6.8894 9.2688 9.2688 11.4516 11.4516 14.7756 14.7756 15.2968 15.2968 k = 0.5000 0.4191 0.0190 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0595 -10.0595 -9.8272 -9.8272 -5.5797 -5.5797 -4.9308 -4.9308 -4.5845 -4.5845 0.9271 0.9271 1.7187 1.7187 2.3406 2.3406 3.4159 3.4159 3.5711 3.5711 3.7107 3.7107 4.5731 4.5731 5.2066 5.2066 5.9886 5.9886 6.8874 6.8874 9.2615 9.2615 11.4575 11.4575 14.7773 14.7773 15.3051 15.3051 k = 0.5000 0.4191 0.0285 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0621 -10.0621 -9.8243 -9.8243 -5.5797 -5.5797 -4.9304 -4.9304 -4.5843 -4.5843 0.9233 0.9233 1.7164 1.7164 2.3302 2.3302 3.4234 3.4234 3.5701 3.5701 3.7242 3.7242 4.5727 4.5727 5.2116 5.2116 5.9877 5.9877 6.8840 6.8840 9.2494 9.2494 11.4674 11.4674 14.7801 14.7801 15.3188 15.3188 k = 0.5000 0.4191 0.0381 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0657 -10.0657 -9.8205 -9.8205 -5.5796 -5.5796 -4.9298 -4.9298 -4.5841 -4.5841 0.9179 0.9179 1.7131 1.7131 2.3161 2.3161 3.4330 3.4330 3.5689 3.5689 3.7428 3.7428 4.5722 4.5722 5.2184 5.2184 5.9865 5.9865 6.8793 6.8793 9.2327 9.2327 11.4812 11.4812 14.7840 14.7840 15.3378 15.3378 k = 0.5000 0.4191 0.0476 ( 2320 PWs) bands (ev): -21.0799 -21.0799 -10.0701 -10.0701 -9.8157 -9.8157 -5.5795 -5.5795 -4.9290 -4.9290 -4.5839 -4.5839 0.9112 0.9112 1.7090 1.7090 2.2991 2.2991 3.4442 3.4442 3.5678 3.5678 3.7662 3.7662 4.5715 4.5715 5.2271 5.2271 5.9849 5.9849 6.8734 6.8734 9.2116 9.2116 11.4986 11.4986 14.7889 14.7889 15.3619 15.3619 k = 0.5000 0.4191 0.0571 ( 2320 PWs) bands (ev): -21.0799 -21.0799 -10.0751 -10.0751 -9.8103 -9.8103 -5.5794 -5.5794 -4.9281 -4.9281 -4.5835 -4.5835 0.9033 0.9033 1.7040 1.7040 2.2796 2.2796 3.4562 3.4562 3.5673 3.5673 3.7941 3.7941 4.5707 4.5707 5.2375 5.2375 5.9830 5.9830 6.8662 6.8662 9.1864 9.1864 11.5197 11.5197 14.7948 14.7948 15.3906 15.3906 k = 0.5000 0.4191 0.0666 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0806 -10.0806 -9.8043 -9.8043 -5.5792 -5.5792 -4.9271 -4.9271 -4.5831 -4.5831 0.8942 0.8942 1.6982 1.6982 2.2582 2.2582 3.4679 3.4679 3.5679 3.5679 3.8261 3.8261 4.5698 4.5698 5.2495 5.2495 5.9808 5.9808 6.8579 6.8579 9.1575 9.1575 11.5441 11.5441 14.8016 14.8016 15.4237 15.4237 k = 0.5000 0.4191 0.0761 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0864 -10.0864 -9.7978 -9.7978 -5.5791 -5.5791 -4.9259 -4.9259 -4.5827 -4.5827 0.8841 0.8841 1.6917 1.6917 2.2356 2.2356 3.4785 3.4785 3.5702 3.5702 3.8617 3.8617 4.5689 4.5689 5.2630 5.2630 5.9784 5.9784 6.8484 6.8484 9.1253 9.1253 11.5717 11.5717 14.8092 14.8092 15.4608 15.4608 k = 0.5000 0.4191 0.0856 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0925 -10.0925 -9.7911 -9.7911 -5.5789 -5.5789 -4.9246 -4.9246 -4.5822 -4.5822 0.8732 0.8732 1.6846 1.6846 2.2123 2.2123 3.4870 3.4870 3.5749 3.5749 3.9003 3.9003 4.5678 4.5678 5.2779 5.2779 5.9757 5.9757 6.8380 6.8380 9.0901 9.0901 11.6023 11.6023 14.8175 14.8175 15.5014 15.5014 k = 0.5000 0.4191 0.0951 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.0988 -10.0988 -9.7842 -9.7842 -5.5787 -5.5787 -4.9233 -4.9233 -4.5817 -4.5817 0.8616 0.8616 1.6768 1.6768 2.1886 2.1886 3.4925 3.4925 3.5827 3.5827 3.9414 3.9414 4.5667 4.5667 5.2939 5.2939 5.9727 5.9727 6.8266 6.8266 9.0525 9.0525 11.6355 11.6355 14.8265 14.8265 15.5450 15.5450 k = 0.5000 0.4191 0.1047 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.1051 -10.1051 -9.7772 -9.7772 -5.5785 -5.5785 -4.9218 -4.9218 -4.5812 -4.5812 0.8495 0.8495 1.6686 1.6686 2.1651 2.1651 3.4952 3.4952 3.5933 3.5933 3.9843 3.9843 4.5655 4.5655 5.3109 5.3109 5.9696 5.9696 6.8144 6.8144 9.0129 9.0129 11.6710 11.6710 14.8360 14.8360 15.5912 15.5912 k = 0.5000 0.4191 0.1142 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1113 -10.1113 -9.7702 -9.7702 -5.5783 -5.5783 -4.9203 -4.9203 -4.5806 -4.5806 0.8372 0.8372 1.6599 1.6599 2.1421 2.1421 3.4955 3.4955 3.6061 3.6061 4.0285 4.0285 4.5643 4.5643 5.3288 5.3288 5.9663 5.9663 6.8015 6.8015 8.9719 8.9719 11.7085 11.7085 14.8458 14.8458 15.6394 15.6394 k = 0.5000 0.4191 0.1237 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.1175 -10.1175 -9.7633 -9.7633 -5.5781 -5.5781 -4.9188 -4.9188 -4.5801 -4.5801 0.8246 0.8246 1.6509 1.6509 2.1199 2.1199 3.4941 3.4941 3.6204 3.6204 4.0734 4.0734 4.5631 4.5631 5.3472 5.3472 5.9629 5.9629 6.7880 6.7880 8.9299 8.9299 11.7475 11.7475 14.8559 14.8559 15.6889 15.6889 k = 0.5000 0.4191 0.1332 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1234 -10.1234 -9.7567 -9.7567 -5.5779 -5.5779 -4.9172 -4.9172 -4.5795 -4.5795 0.8121 0.8121 1.6417 1.6417 2.0987 2.0987 3.4916 3.4916 3.6353 3.6353 4.1184 4.1184 4.5618 4.5618 5.3661 5.3661 5.9594 5.9594 6.7741 6.7741 8.8876 8.8876 11.7877 11.7877 14.8662 14.8662 15.7392 15.7392 k = 0.5000 0.4191 0.1427 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1291 -10.1291 -9.7502 -9.7502 -5.5777 -5.5777 -4.9157 -4.9157 -4.5790 -4.5790 0.7998 0.7998 1.6325 1.6325 2.0787 2.0787 3.4885 3.4885 3.6505 3.6505 4.1630 4.1630 4.5604 4.5604 5.3850 5.3850 5.9559 5.9559 6.7600 6.7600 8.8455 8.8455 11.8285 11.8285 14.8765 14.8765 15.7897 15.7897 k = 0.5000 0.4191 0.1522 ( 2312 PWs) bands (ev): -21.0799 -21.0799 -10.1345 -10.1345 -9.7441 -9.7441 -5.5775 -5.5775 -4.9142 -4.9142 -4.5784 -4.5784 0.7879 0.7879 1.6233 1.6233 2.0600 2.0600 3.4850 3.4850 3.6655 3.6655 4.2067 4.2067 4.5590 4.5590 5.4039 5.4039 5.9524 5.9524 6.7458 6.7458 8.8040 8.8040 11.8693 11.8693 14.8866 14.8866 15.8397 15.8397 k = 0.5000 0.4191 0.1617 ( 2304 PWs) bands (ev): -21.0799 -21.0799 -10.1395 -10.1395 -9.7383 -9.7383 -5.5773 -5.5773 -4.9128 -4.9128 -4.5779 -4.5779 0.7764 0.7764 1.6144 1.6144 2.0428 2.0428 3.4813 3.4813 3.6800 3.6800 4.2489 4.2489 4.5575 4.5575 5.4225 5.4225 5.9490 5.9490 6.7318 6.7318 8.7639 8.7639 11.9097 11.9097 14.8964 14.8964 15.8887 15.8887 k = 0.5000 0.4191 0.1713 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1442 -10.1442 -9.7330 -9.7330 -5.5771 -5.5771 -4.9114 -4.9114 -4.5774 -4.5774 0.7656 0.7656 1.6057 1.6057 2.0272 2.0272 3.4776 3.4776 3.6938 3.6938 4.2892 4.2892 4.5559 4.5559 5.4404 5.4404 5.9456 5.9456 6.7181 6.7181 8.7255 8.7255 11.9490 11.9490 14.9057 14.9057 15.9357 15.9357 k = 0.5000 0.4191 0.1808 ( 2312 PWs) bands (ev): -21.0799 -21.0799 -10.1485 -10.1485 -9.7281 -9.7281 -5.5769 -5.5769 -4.9101 -4.9101 -4.5769 -4.5769 0.7556 0.7556 1.5975 1.5975 2.0132 2.0132 3.4741 3.4741 3.7066 3.7066 4.3272 4.3272 4.5542 4.5542 5.4575 5.4575 5.9424 5.9424 6.7049 6.7049 8.6894 8.6894 11.9866 11.9866 14.9145 14.9145 15.9802 15.9802 k = 0.5000 0.4191 0.1903 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.1523 -10.1523 -9.7237 -9.7237 -5.5768 -5.5768 -4.9089 -4.9089 -4.5765 -4.5765 0.7465 0.7465 1.5899 1.5899 2.0008 2.0008 3.4708 3.4708 3.7183 3.7183 4.3625 4.3625 4.5522 4.5522 5.4734 5.4734 5.9395 5.9395 6.6925 6.6925 8.6562 8.6562 12.0219 12.0219 14.9226 14.9226 16.0215 16.0215 k = 0.5000 0.4191 0.1998 ( 2316 PWs) bands (ev): -21.0799 -21.0799 -10.1557 -10.1557 -9.7198 -9.7198 -5.5766 -5.5766 -4.9079 -4.9079 -4.5761 -4.5761 0.7383 0.7383 1.5831 1.5831 1.9900 1.9900 3.4677 3.4677 3.7288 3.7288 4.3947 4.3947 4.5499 4.5499 5.4880 5.4880 5.9368 5.9368 6.6812 6.6812 8.6264 8.6264 12.0541 12.0541 14.9299 14.9299 16.0589 16.0589 k = 0.5000 0.4191 0.2093 ( 2316 PWs) bands (ev): -21.0800 -21.0800 -10.1586 -10.1586 -9.7165 -9.7165 -5.5765 -5.5765 -4.9069 -4.9069 -4.5758 -4.5758 0.7313 0.7313 1.5771 1.5771 1.9810 1.9810 3.4651 3.4651 3.7379 3.7379 4.4235 4.4235 4.5471 4.5471 5.5008 5.5008 5.9344 5.9344 6.6711 6.6711 8.6003 8.6003 12.0827 12.0827 14.9363 14.9363 16.0918 16.0918 k = 0.5000 0.4191 0.2188 ( 2316 PWs) bands (ev): -21.0800 -21.0800 -10.1610 -10.1610 -9.7138 -9.7138 -5.5764 -5.5764 -4.9062 -4.9062 -4.5755 -4.5755 0.7254 0.7254 1.5720 1.5720 1.9735 1.9735 3.4628 3.4628 3.7455 3.7455 4.4488 4.4488 4.5437 4.5437 5.5117 5.5117 5.9323 5.9323 6.6626 6.6626 8.5784 8.5784 12.1071 12.1071 14.9416 14.9416 16.1194 16.1195 k = 0.5000 0.4191 0.2283 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1628 -10.1628 -9.7116 -9.7116 -5.5763 -5.5763 -4.9055 -4.9055 -4.5752 -4.5752 0.7208 0.7208 1.5680 1.5680 1.9678 1.9678 3.4610 3.4610 3.7515 3.7515 4.4704 4.4704 4.5394 4.5394 5.5204 5.5204 5.9307 5.9307 6.6556 6.6556 8.5610 8.5610 12.1266 12.1266 14.9459 14.9459 16.1414 16.1414 k = 0.5000 0.4191 0.2379 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1642 -10.1642 -9.7100 -9.7100 -5.5762 -5.5762 -4.9051 -4.9051 -4.5751 -4.5751 0.7174 0.7174 1.5651 1.5651 1.9637 1.9637 3.4597 3.4597 3.7558 3.7558 4.4884 4.4884 4.5340 4.5340 5.5268 5.5268 5.9295 5.9295 6.6506 6.6506 8.5483 8.5483 12.1410 12.1410 14.9489 14.9489 16.1572 16.1572 k = 0.5000 0.4191 0.2474 ( 2308 PWs) bands (ev): -21.0799 -21.0799 -10.1650 -10.1650 -9.7091 -9.7091 -5.5762 -5.5762 -4.9048 -4.9048 -4.5750 -4.5750 0.7154 0.7154 1.5633 1.5633 1.9612 1.9612 3.4589 3.4589 3.7584 3.7584 4.5026 4.5026 4.5275 4.5275 5.5307 5.5307 5.9288 5.9288 6.6475 6.6475 8.5406 8.5406 12.1497 12.1497 14.9508 14.9508 16.1666 16.1668 k = 0.5000 0.4191 0.2569 ( 2312 PWs) bands (ev): -21.0800 -21.0800 -10.1652 -10.1652 -9.7088 -9.7088 -5.5762 -5.5762 -4.9048 -4.9048 -4.5750 -4.5750 0.7147 0.7147 1.5627 1.5627 1.9604 1.9604 3.4587 3.4587 3.7593 3.7593 4.5100 4.5100 4.5226 4.5226 5.5320 5.5320 5.9285 5.9285 6.6464 6.6464 8.5380 8.5380 12.1527 12.1527 14.9514 14.9514 16.1697 16.1700 Writing output data file KAuO2.save init_run : 0.27s CPU 0.41s WALL ( 1 calls) electrons : 196.95s CPU 200.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 196.94s CPU 200.94s 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 : 0.05s CPU 0.05s WALL ( 508 calls) cegterg : 187.69s CPU 191.08s WALL ( 1267 calls) Called by sum_band: Called by *egterg: h_psi : 80.24s CPU 82.50s WALL ( 21934 calls) s_psi : 6.75s CPU 6.64s WALL ( 21934 calls) g_psi : 0.26s CPU 0.24s WALL ( 20159 calls) cdiaghg : 92.28s CPU 93.45s WALL ( 20667 calls) cegterg:over : 5.55s CPU 5.80s WALL ( 20159 calls) cegterg:upda : 4.27s CPU 4.21s WALL ( 20159 calls) cegterg:last : 2.37s CPU 2.51s WALL ( 2791 calls) cdiaghg:chol : 4.81s CPU 4.75s WALL ( 20667 calls) cdiaghg:inve : 2.88s CPU 2.63s WALL ( 20667 calls) cdiaghg:para : 5.29s CPU 5.35s WALL ( 41334 calls) Called by h_psi: h_psi:vloc : 69.81s CPU 71.74s WALL ( 21934 calls) h_psi:vnl : 10.20s CPU 10.58s WALL ( 21934 calls) add_vuspsi : 5.42s CPU 5.38s WALL ( 21934 calls) General routines calbec : 4.72s CPU 5.14s WALL ( 21934 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.55s CPU 66.29s WALL ( 1337124 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.18s WALL ( 1016 calls) Parallel routines fft_scatter : 29.04s CPU 29.38s WALL ( 1337147 calls) PWSCF : 3m32.11s CPU 3m50.73s WALL This run was terminated on: 13:36:44 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=