Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 3:24 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: ./SrBrF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 44 27 8 2332 1151 186 Max 45 28 9 2337 1178 193 Sum 1605 1005 293 84003 42019 6749 bravais-lattice index = 14 lattice parameter (alat) = 7.9709 a.u. unit-cell volume = 880.9032 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.970864 celldm(2)= 1.000000 celldm(3)= 1.739450 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.739450 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.574894 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 F 7.00 18.99840 F( 1.00) Br 7.00 79.90400 Br( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0030030 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0030030 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0030030 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0030030 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0030030 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0030030 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0030030 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0030030 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0030030 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0030030 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0030030 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0030030 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0030030 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0030030 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030030 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0030030 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0030030 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0030030 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030030 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030030 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0030030 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0030030 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0030030 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0030030 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0030030 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0030030 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030030 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0030030 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0030030 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030030 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0030030 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0030030 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0030030 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0030030 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0030030 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0030030 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0030030 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0030030 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0030030 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0030030 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0030030 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0030030 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0030030 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0030030 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0030030 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0030030 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0030030 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0030030 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0030030 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0030030 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0030030 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0030030 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0030030 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0030030 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0030030 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030030 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0030030 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0030030 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030030 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0030030 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0030030 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0030030 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0030030 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0030030 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030030 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0030030 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0030030 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0030030 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030030 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030030 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0030030 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0030030 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0030030 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0030030 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0030030 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0030030 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0030030 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0030030 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0030030 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0030030 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0030030 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0030030 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0030030 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0030030 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0030030 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0030030 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0030030 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0030030 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0030030 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0030030 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0030030 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0030030 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0030030 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0030030 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0030030 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0030030 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0030030 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0030030 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0030030 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0030030 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0030030 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0030030 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0030030 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0030030 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0030030 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0030030 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0030030 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0030030 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0030030 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0030030 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0030030 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0030030 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0030030 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0030030 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0030030 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0030030 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0030030 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0030030 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0030030 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0030030 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0030030 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0030030 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0030030 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0030030 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0030030 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0030030 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 134) = ( 0.0000000 0.0000000 0.0130658), wk = 0.0030030 k( 135) = ( 0.0000000 0.0000000 0.0261316), wk = 0.0030030 k( 136) = ( 0.0000000 0.0000000 0.0391973), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0522631), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.0653289), wk = 0.0030030 k( 139) = ( 0.0000000 0.0000000 0.0783947), wk = 0.0030030 k( 140) = ( 0.0000000 0.0000000 0.0914605), wk = 0.0030030 k( 141) = ( 0.0000000 0.0000000 0.1045262), wk = 0.0030030 k( 142) = ( 0.0000000 0.0000000 0.1175920), wk = 0.0030030 k( 143) = ( 0.0000000 0.0000000 0.1306578), wk = 0.0030030 k( 144) = ( 0.0000000 0.0000000 0.1437236), wk = 0.0030030 k( 145) = ( 0.0000000 0.0000000 0.1567894), wk = 0.0030030 k( 146) = ( 0.0000000 0.0000000 0.1698552), wk = 0.0030030 k( 147) = ( 0.0000000 0.0000000 0.1829209), wk = 0.0030030 k( 148) = ( 0.0000000 0.0000000 0.1959867), wk = 0.0030030 k( 149) = ( 0.0000000 0.0000000 0.2090525), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.2221183), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.2351841), wk = 0.0030030 k( 152) = ( 0.0000000 0.0000000 0.2482498), wk = 0.0030030 k( 153) = ( 0.0000000 0.0000000 0.2613156), wk = 0.0030030 k( 154) = ( 0.0000000 0.0000000 0.2743814), wk = 0.0030030 k( 155) = ( 0.0000000 0.0000000 0.2874472), wk = 0.0030030 k( 156) = ( 0.0000000 0.0000000 0.2874472), wk = 0.0030030 k( 157) = ( 0.0000000 0.0131579 0.2874472), wk = 0.0030030 k( 158) = ( 0.0000000 0.0263158 0.2874472), wk = 0.0030030 k( 159) = ( 0.0000000 0.0394737 0.2874472), wk = 0.0030030 k( 160) = ( 0.0000000 0.0526316 0.2874472), wk = 0.0030030 k( 161) = ( 0.0000000 0.0657895 0.2874472), wk = 0.0030030 k( 162) = ( 0.0000000 0.0789474 0.2874472), wk = 0.0030030 k( 163) = ( 0.0000000 0.0921053 0.2874472), wk = 0.0030030 k( 164) = ( 0.0000000 0.1052632 0.2874472), wk = 0.0030030 k( 165) = ( 0.0000000 0.1184210 0.2874472), wk = 0.0030030 k( 166) = ( 0.0000000 0.1315790 0.2874472), wk = 0.0030030 k( 167) = ( 0.0000000 0.1447368 0.2874472), wk = 0.0030030 k( 168) = ( 0.0000000 0.1578947 0.2874472), wk = 0.0030030 k( 169) = ( 0.0000000 0.1710526 0.2874472), wk = 0.0030030 k( 170) = ( 0.0000000 0.1842105 0.2874472), wk = 0.0030030 k( 171) = ( 0.0000000 0.1973684 0.2874472), wk = 0.0030030 k( 172) = ( 0.0000000 0.2105263 0.2874472), wk = 0.0030030 k( 173) = ( 0.0000000 0.2236842 0.2874472), wk = 0.0030030 k( 174) = ( 0.0000000 0.2368421 0.2874472), wk = 0.0030030 k( 175) = ( 0.0000000 0.2500000 0.2874472), wk = 0.0030030 k( 176) = ( 0.0000000 0.2631579 0.2874472), wk = 0.0030030 k( 177) = ( 0.0000000 0.2763158 0.2874472), wk = 0.0030030 k( 178) = ( 0.0000000 0.2894737 0.2874472), wk = 0.0030030 k( 179) = ( 0.0000000 0.3026316 0.2874472), wk = 0.0030030 k( 180) = ( 0.0000000 0.3157895 0.2874472), wk = 0.0030030 k( 181) = ( 0.0000000 0.3289474 0.2874472), wk = 0.0030030 k( 182) = ( 0.0000000 0.3421053 0.2874472), wk = 0.0030030 k( 183) = ( 0.0000000 0.3552632 0.2874472), wk = 0.0030030 k( 184) = ( 0.0000000 0.3684211 0.2874472), wk = 0.0030030 k( 185) = ( 0.0000000 0.3815789 0.2874472), wk = 0.0030030 k( 186) = ( 0.0000000 0.3947368 0.2874472), wk = 0.0030030 k( 187) = ( 0.0000000 0.4078947 0.2874472), wk = 0.0030030 k( 188) = ( 0.0000000 0.4210526 0.2874472), wk = 0.0030030 k( 189) = ( 0.0000000 0.4342105 0.2874472), wk = 0.0030030 k( 190) = ( 0.0000000 0.4473684 0.2874472), wk = 0.0030030 k( 191) = ( 0.0000000 0.4605263 0.2874472), wk = 0.0030030 k( 192) = ( 0.0000000 0.4736842 0.2874472), wk = 0.0030030 k( 193) = ( 0.0000000 0.4868421 0.2874472), wk = 0.0030030 k( 194) = ( 0.0000000 0.5000000 0.2874472), wk = 0.0030030 k( 195) = ( 0.0000000 0.5000000 0.2874472), wk = 0.0030030 k( 196) = ( 0.0131579 0.5000000 0.2874472), wk = 0.0030030 k( 197) = ( 0.0263158 0.5000000 0.2874472), wk = 0.0030030 k( 198) = ( 0.0394737 0.5000000 0.2874472), wk = 0.0030030 k( 199) = ( 0.0526316 0.5000000 0.2874472), wk = 0.0030030 k( 200) = ( 0.0657895 0.5000000 0.2874472), wk = 0.0030030 k( 201) = ( 0.0789474 0.5000000 0.2874472), wk = 0.0030030 k( 202) = ( 0.0921053 0.5000000 0.2874472), wk = 0.0030030 k( 203) = ( 0.1052632 0.5000000 0.2874472), wk = 0.0030030 k( 204) = ( 0.1184210 0.5000000 0.2874472), wk = 0.0030030 k( 205) = ( 0.1315790 0.5000000 0.2874472), wk = 0.0030030 k( 206) = ( 0.1447368 0.5000000 0.2874472), wk = 0.0030030 k( 207) = ( 0.1578947 0.5000000 0.2874472), wk = 0.0030030 k( 208) = ( 0.1710526 0.5000000 0.2874472), wk = 0.0030030 k( 209) = ( 0.1842105 0.5000000 0.2874472), wk = 0.0030030 k( 210) = ( 0.1973684 0.5000000 0.2874472), wk = 0.0030030 k( 211) = ( 0.2105263 0.5000000 0.2874472), wk = 0.0030030 k( 212) = ( 0.2236842 0.5000000 0.2874472), wk = 0.0030030 k( 213) = ( 0.2368421 0.5000000 0.2874472), wk = 0.0030030 k( 214) = ( 0.2500000 0.5000000 0.2874472), wk = 0.0030030 k( 215) = ( 0.2631579 0.5000000 0.2874472), wk = 0.0030030 k( 216) = ( 0.2763158 0.5000000 0.2874472), wk = 0.0030030 k( 217) = ( 0.2894737 0.5000000 0.2874472), wk = 0.0030030 k( 218) = ( 0.3026316 0.5000000 0.2874472), wk = 0.0030030 k( 219) = ( 0.3157895 0.5000000 0.2874472), wk = 0.0030030 k( 220) = ( 0.3289474 0.5000000 0.2874472), wk = 0.0030030 k( 221) = ( 0.3421053 0.5000000 0.2874472), wk = 0.0030030 k( 222) = ( 0.3552632 0.5000000 0.2874472), wk = 0.0030030 k( 223) = ( 0.3684211 0.5000000 0.2874472), wk = 0.0030030 k( 224) = ( 0.3815789 0.5000000 0.2874472), wk = 0.0030030 k( 225) = ( 0.3947368 0.5000000 0.2874472), wk = 0.0030030 k( 226) = ( 0.4078947 0.5000000 0.2874472), wk = 0.0030030 k( 227) = ( 0.4210526 0.5000000 0.2874472), wk = 0.0030030 k( 228) = ( 0.4342105 0.5000000 0.2874472), wk = 0.0030030 k( 229) = ( 0.4473684 0.5000000 0.2874472), wk = 0.0030030 k( 230) = ( 0.4605263 0.5000000 0.2874472), wk = 0.0030030 k( 231) = ( 0.4736842 0.5000000 0.2874472), wk = 0.0030030 k( 232) = ( 0.4868421 0.5000000 0.2874472), wk = 0.0030030 k( 233) = ( 0.5000000 0.5000000 0.2874472), wk = 0.0030030 k( 234) = ( 0.5000000 0.5000000 0.2874472), wk = 0.0030030 k( 235) = ( 0.4905660 0.4905660 0.2874472), wk = 0.0030030 k( 236) = ( 0.4811321 0.4811321 0.2874472), wk = 0.0030030 k( 237) = ( 0.4716981 0.4716981 0.2874472), wk = 0.0030030 k( 238) = ( 0.4622641 0.4622641 0.2874472), wk = 0.0030030 k( 239) = ( 0.4528302 0.4528302 0.2874472), wk = 0.0030030 k( 240) = ( 0.4433962 0.4433962 0.2874472), wk = 0.0030030 k( 241) = ( 0.4339623 0.4339623 0.2874472), wk = 0.0030030 k( 242) = ( 0.4245283 0.4245283 0.2874472), wk = 0.0030030 k( 243) = ( 0.4150943 0.4150943 0.2874472), wk = 0.0030030 k( 244) = ( 0.4056604 0.4056604 0.2874472), wk = 0.0030030 k( 245) = ( 0.3962264 0.3962264 0.2874472), wk = 0.0030030 k( 246) = ( 0.3867925 0.3867924 0.2874472), wk = 0.0030030 k( 247) = ( 0.3773585 0.3773585 0.2874472), wk = 0.0030030 k( 248) = ( 0.3679245 0.3679245 0.2874472), wk = 0.0030030 k( 249) = ( 0.3584906 0.3584906 0.2874472), wk = 0.0030030 k( 250) = ( 0.3490566 0.3490566 0.2874472), wk = 0.0030030 k( 251) = ( 0.3396226 0.3396226 0.2874472), wk = 0.0030030 k( 252) = ( 0.3301887 0.3301887 0.2874472), wk = 0.0030030 k( 253) = ( 0.3207547 0.3207547 0.2874472), wk = 0.0030030 k( 254) = ( 0.3113207 0.3113207 0.2874472), wk = 0.0030030 k( 255) = ( 0.3018868 0.3018868 0.2874472), wk = 0.0030030 k( 256) = ( 0.2924528 0.2924528 0.2874472), wk = 0.0030030 k( 257) = ( 0.2830189 0.2830189 0.2874472), wk = 0.0030030 k( 258) = ( 0.2735849 0.2735849 0.2874472), wk = 0.0030030 k( 259) = ( 0.2641509 0.2641509 0.2874472), wk = 0.0030030 k( 260) = ( 0.2547170 0.2547170 0.2874472), wk = 0.0030030 k( 261) = ( 0.2452830 0.2452830 0.2874472), wk = 0.0030030 k( 262) = ( 0.2358491 0.2358491 0.2874472), wk = 0.0030030 k( 263) = ( 0.2264151 0.2264151 0.2874472), wk = 0.0030030 k( 264) = ( 0.2169811 0.2169811 0.2874472), wk = 0.0030030 k( 265) = ( 0.2075472 0.2075472 0.2874472), wk = 0.0030030 k( 266) = ( 0.1981132 0.1981132 0.2874472), wk = 0.0030030 k( 267) = ( 0.1886792 0.1886792 0.2874472), wk = 0.0030030 k( 268) = ( 0.1792453 0.1792453 0.2874472), wk = 0.0030030 k( 269) = ( 0.1698113 0.1698113 0.2874472), wk = 0.0030030 k( 270) = ( 0.1603774 0.1603774 0.2874472), wk = 0.0030030 k( 271) = ( 0.1509434 0.1509434 0.2874472), wk = 0.0030030 k( 272) = ( 0.1415094 0.1415094 0.2874472), wk = 0.0030030 k( 273) = ( 0.1320755 0.1320755 0.2874472), wk = 0.0030030 k( 274) = ( 0.1226415 0.1226415 0.2874472), wk = 0.0030030 k( 275) = ( 0.1132076 0.1132075 0.2874472), wk = 0.0030030 k( 276) = ( 0.1037736 0.1037736 0.2874472), wk = 0.0030030 k( 277) = ( 0.0943396 0.0943396 0.2874472), wk = 0.0030030 k( 278) = ( 0.0849057 0.0849057 0.2874472), wk = 0.0030030 k( 279) = ( 0.0754717 0.0754717 0.2874472), wk = 0.0030030 k( 280) = ( 0.0660377 0.0660377 0.2874472), wk = 0.0030030 k( 281) = ( 0.0566038 0.0566038 0.2874472), wk = 0.0030030 k( 282) = ( 0.0471698 0.0471698 0.2874472), wk = 0.0030030 k( 283) = ( 0.0377359 0.0377358 0.2874472), wk = 0.0030030 k( 284) = ( 0.0283019 0.0283019 0.2874472), wk = 0.0030030 k( 285) = ( 0.0188679 0.0188679 0.2874472), wk = 0.0030030 k( 286) = ( 0.0094340 0.0094340 0.2874472), wk = 0.0030030 k( 287) = ( 0.0000000 0.0000000 0.2874472), wk = 0.0030030 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 289) = ( 0.0000000 0.5000000 0.0130658), wk = 0.0030030 k( 290) = ( 0.0000000 0.5000000 0.0261316), wk = 0.0030030 k( 291) = ( 0.0000000 0.5000000 0.0391973), wk = 0.0030030 k( 292) = ( 0.0000000 0.5000000 0.0522631), wk = 0.0030030 k( 293) = ( 0.0000000 0.5000000 0.0653289), wk = 0.0030030 k( 294) = ( 0.0000000 0.5000000 0.0783947), wk = 0.0030030 k( 295) = ( 0.0000000 0.5000000 0.0914605), wk = 0.0030030 k( 296) = ( 0.0000000 0.5000000 0.1045262), wk = 0.0030030 k( 297) = ( 0.0000000 0.5000000 0.1175920), wk = 0.0030030 k( 298) = ( 0.0000000 0.5000000 0.1306578), wk = 0.0030030 k( 299) = ( 0.0000000 0.5000000 0.1437236), wk = 0.0030030 k( 300) = ( 0.0000000 0.5000000 0.1567894), wk = 0.0030030 k( 301) = ( 0.0000000 0.5000000 0.1698552), wk = 0.0030030 k( 302) = ( 0.0000000 0.5000000 0.1829209), wk = 0.0030030 k( 303) = ( 0.0000000 0.5000000 0.1959867), wk = 0.0030030 k( 304) = ( 0.0000000 0.5000000 0.2090525), wk = 0.0030030 k( 305) = ( 0.0000000 0.5000000 0.2221183), wk = 0.0030030 k( 306) = ( 0.0000000 0.5000000 0.2351841), wk = 0.0030030 k( 307) = ( 0.0000000 0.5000000 0.2482498), wk = 0.0030030 k( 308) = ( 0.0000000 0.5000000 0.2613156), wk = 0.0030030 k( 309) = ( 0.0000000 0.5000000 0.2743814), wk = 0.0030030 k( 310) = ( 0.0000000 0.5000000 0.2874472), wk = 0.0030030 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 312) = ( 0.5000000 0.5000000 0.0130658), wk = 0.0030030 k( 313) = ( 0.5000000 0.5000000 0.0261316), wk = 0.0030030 k( 314) = ( 0.5000000 0.5000000 0.0391973), wk = 0.0030030 k( 315) = ( 0.5000000 0.5000000 0.0522631), wk = 0.0030030 k( 316) = ( 0.5000000 0.5000000 0.0653289), wk = 0.0030030 k( 317) = ( 0.5000000 0.5000000 0.0783947), wk = 0.0030030 k( 318) = ( 0.5000000 0.5000000 0.0914605), wk = 0.0030030 k( 319) = ( 0.5000000 0.5000000 0.1045262), wk = 0.0030030 k( 320) = ( 0.5000000 0.5000000 0.1175920), wk = 0.0030030 k( 321) = ( 0.5000000 0.5000000 0.1306578), wk = 0.0030030 k( 322) = ( 0.5000000 0.5000000 0.1437236), wk = 0.0030030 k( 323) = ( 0.5000000 0.5000000 0.1567894), wk = 0.0030030 k( 324) = ( 0.5000000 0.5000000 0.1698552), wk = 0.0030030 k( 325) = ( 0.5000000 0.5000000 0.1829209), wk = 0.0030030 k( 326) = ( 0.5000000 0.5000000 0.1959867), wk = 0.0030030 k( 327) = ( 0.5000000 0.5000000 0.2090525), wk = 0.0030030 k( 328) = ( 0.5000000 0.5000000 0.2221183), wk = 0.0030030 k( 329) = ( 0.5000000 0.5000000 0.2351841), wk = 0.0030030 k( 330) = ( 0.5000000 0.5000000 0.2482498), wk = 0.0030030 k( 331) = ( 0.5000000 0.5000000 0.2613156), wk = 0.0030030 k( 332) = ( 0.5000000 0.5000000 0.2743814), wk = 0.0030030 k( 333) = ( 0.5000000 0.5000000 0.2874472), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0030030 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0030030 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0030030 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0030030 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0030030 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0030030 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0030030 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0030030 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0030030 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0030030 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0030030 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0030030 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0030030 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0030030 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030030 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0030030 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0030030 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0030030 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030030 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030030 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0030030 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0030030 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0030030 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0030030 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0030030 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0030030 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030030 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0030030 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0030030 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030030 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0030030 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0030030 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0030030 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0030030 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0030030 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0030030 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0030030 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0030030 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0030030 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0030030 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0030030 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0030030 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0030030 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0030030 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0030030 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0030030 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0030030 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0030030 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0030030 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0030030 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0030030 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0030030 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0030030 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0030030 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0030030 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030030 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0030030 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0030030 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030030 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0030030 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0030030 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0030030 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0030030 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0030030 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030030 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0030030 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0030030 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0030030 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030030 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030030 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0030030 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0030030 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0030030 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0030030 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0030030 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0030030 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0030030 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0030030 k( 84) = ( 0.4528302 0.4528302 0.0000000), wk = 0.0030030 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0030030 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0030030 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0030030 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0030030 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0030030 k( 90) = ( 0.3962264 0.3962264 0.0000000), wk = 0.0030030 k( 91) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0030030 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0030030 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0030030 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0030030 k( 95) = ( 0.3490566 0.3490566 0.0000000), wk = 0.0030030 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0030030 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0030030 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0030030 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0030030 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0030030 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0030030 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0030030 k( 103) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0030030 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0030030 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0030030 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0030030 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0030030 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0030030 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0030030 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0030030 k( 111) = ( 0.1981132 0.1981132 0.0000000), wk = 0.0030030 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0030030 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0030030 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0030030 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0030030 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0030030 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0030030 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0030030 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0030030 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0030030 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0030030 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0030030 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0030030 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0030030 k( 125) = ( 0.0660377 0.0660377 0.0000000), wk = 0.0030030 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0030030 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0030030 k( 128) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0030030 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0030030 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0030030 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0030030 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 134) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0030030 k( 135) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030030 k( 136) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0030030 k( 139) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030030 k( 140) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0030030 k( 141) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030030 k( 142) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0030030 k( 143) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030030 k( 144) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030030 k( 145) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030030 k( 146) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0030030 k( 147) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030030 k( 148) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0030030 k( 149) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030030 k( 152) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0030030 k( 153) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030030 k( 154) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0030030 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 157) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0030030 k( 158) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0030030 k( 159) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0030030 k( 160) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0030030 k( 161) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0030030 k( 162) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0030030 k( 163) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0030030 k( 164) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0030030 k( 165) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0030030 k( 166) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0030030 k( 167) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0030030 k( 168) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0030030 k( 169) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0030030 k( 170) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0030030 k( 171) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0030030 k( 172) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0030030 k( 173) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0030030 k( 174) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0030030 k( 175) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0030030 k( 176) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0030030 k( 177) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0030030 k( 178) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0030030 k( 179) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0030030 k( 180) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0030030 k( 181) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0030030 k( 182) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0030030 k( 183) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0030030 k( 184) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0030030 k( 185) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0030030 k( 186) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0030030 k( 187) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0030030 k( 188) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0030030 k( 189) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0030030 k( 190) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0030030 k( 191) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0030030 k( 192) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0030030 k( 193) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0030030 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030030 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030030 k( 196) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0030030 k( 197) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0030030 k( 198) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0030030 k( 199) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0030030 k( 200) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0030030 k( 201) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0030030 k( 202) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0030030 k( 203) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0030030 k( 204) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0030030 k( 205) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0030030 k( 206) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0030030 k( 207) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0030030 k( 208) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0030030 k( 209) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0030030 k( 210) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0030030 k( 211) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0030030 k( 212) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0030030 k( 213) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0030030 k( 214) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030030 k( 215) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0030030 k( 216) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0030030 k( 217) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0030030 k( 218) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0030030 k( 219) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0030030 k( 220) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0030030 k( 221) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0030030 k( 222) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0030030 k( 223) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0030030 k( 224) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0030030 k( 225) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0030030 k( 226) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0030030 k( 227) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0030030 k( 228) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0030030 k( 229) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0030030 k( 230) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0030030 k( 231) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0030030 k( 232) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0030030 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 k( 235) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0030030 k( 236) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0030030 k( 237) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0030030 k( 238) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0030030 k( 239) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0030030 k( 240) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0030030 k( 241) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0030030 k( 242) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0030030 k( 243) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0030030 k( 244) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0030030 k( 245) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0030030 k( 246) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0030030 k( 247) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0030030 k( 248) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0030030 k( 249) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0030030 k( 250) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0030030 k( 251) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0030030 k( 252) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0030030 k( 253) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0030030 k( 254) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0030030 k( 255) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0030030 k( 256) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0030030 k( 257) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0030030 k( 258) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0030030 k( 259) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0030030 k( 260) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0030030 k( 261) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0030030 k( 262) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0030030 k( 263) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0030030 k( 264) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0030030 k( 265) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0030030 k( 266) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0030030 k( 267) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0030030 k( 268) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0030030 k( 269) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0030030 k( 270) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0030030 k( 271) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0030030 k( 272) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0030030 k( 273) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0030030 k( 274) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0030030 k( 275) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0030030 k( 276) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0030030 k( 277) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0030030 k( 278) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0030030 k( 279) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0030030 k( 280) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0030030 k( 281) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0030030 k( 282) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0030030 k( 283) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0030030 k( 284) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0030030 k( 285) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0030030 k( 286) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0030030 k( 287) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030030 k( 289) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0030030 k( 290) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0030030 k( 291) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0030030 k( 292) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0030030 k( 293) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0030030 k( 294) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0030030 k( 295) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0030030 k( 296) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0030030 k( 297) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0030030 k( 298) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0030030 k( 299) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030030 k( 300) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0030030 k( 301) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0030030 k( 302) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0030030 k( 303) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0030030 k( 304) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0030030 k( 305) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0030030 k( 306) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0030030 k( 307) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0030030 k( 308) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0030030 k( 309) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0030030 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030030 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030030 k( 312) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0030030 k( 313) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0030030 k( 314) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0030030 k( 315) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0030030 k( 316) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0030030 k( 317) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0030030 k( 318) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0030030 k( 319) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0030030 k( 320) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0030030 k( 321) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0030030 k( 322) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030030 k( 323) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0030030 k( 324) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0030030 k( 325) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0030030 k( 326) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0030030 k( 327) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0030030 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0030030 k( 329) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0030030 k( 330) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0030030 k( 331) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0030030 k( 332) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0030030 k( 333) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030030 Dense grid: 84003 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 42019 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 296, 58) NL pseudopotentials 0.28 Mb ( 148, 124) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2337) G-vector shells 0.01 Mb ( 1150) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 296, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrBrF.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.5 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.6 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.8 secs Computing kpt #: 21 total cpu time spent up to now is 14.2 secs Computing kpt #: 22 total cpu time spent up to now is 14.7 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.0 secs Computing kpt #: 26 total cpu time spent up to now is 16.4 secs Computing kpt #: 27 total cpu time spent up to now is 16.9 secs Computing kpt #: 28 total cpu time spent up to now is 17.4 secs Computing kpt #: 29 total cpu time spent up to now is 17.8 secs Computing kpt #: 30 total cpu time spent up to now is 18.3 secs Computing kpt #: 31 total cpu time spent up to now is 18.8 secs Computing kpt #: 32 total cpu time spent up to now is 19.3 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.8 secs Computing kpt #: 36 total cpu time spent up to now is 21.4 secs Computing kpt #: 37 total cpu time spent up to now is 21.9 secs Computing kpt #: 38 total cpu time spent up to now is 22.4 secs Computing kpt #: 39 total cpu time spent up to now is 22.9 secs Computing kpt #: 40 total cpu time spent up to now is 23.4 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.6 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.6 secs Computing kpt #: 45 total cpu time spent up to now is 26.2 secs Computing kpt #: 46 total cpu time spent up to now is 26.7 secs Computing kpt #: 47 total cpu time spent up to now is 27.2 secs Computing kpt #: 48 total cpu time spent up to now is 27.7 secs Computing kpt #: 49 total cpu time spent up to now is 28.1 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.2 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.7 secs Computing kpt #: 55 total cpu time spent up to now is 31.2 secs Computing kpt #: 56 total cpu time spent up to now is 31.8 secs Computing kpt #: 57 total cpu time spent up to now is 32.3 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.5 secs Computing kpt #: 60 total cpu time spent up to now is 34.0 secs Computing kpt #: 61 total cpu time spent up to now is 34.6 secs Computing kpt #: 62 total cpu time spent up to now is 35.2 secs Computing kpt #: 63 total cpu time spent up to now is 35.8 secs Computing kpt #: 64 total cpu time spent up to now is 36.4 secs Computing kpt #: 65 total cpu time spent up to now is 37.0 secs Computing kpt #: 66 total cpu time spent up to now is 37.6 secs Computing kpt #: 67 total cpu time spent up to now is 38.2 secs Computing kpt #: 68 total cpu time spent up to now is 38.9 secs Computing kpt #: 69 total cpu time spent up to now is 39.5 secs Computing kpt #: 70 total cpu time spent up to now is 40.1 secs Computing kpt #: 71 total cpu time spent up to now is 40.9 secs Computing kpt #: 72 total cpu time spent up to now is 41.6 secs Computing kpt #: 73 total cpu time spent up to now is 42.3 secs Computing kpt #: 74 total cpu time spent up to now is 43.0 secs Computing kpt #: 75 total cpu time spent up to now is 44.0 secs Computing kpt #: 76 total cpu time spent up to now is 45.0 secs Computing kpt #: 77 total cpu time spent up to now is 46.5 secs Computing kpt #: 78 total cpu time spent up to now is 47.1 secs Computing kpt #: 79 total cpu time spent up to now is 47.7 secs Computing kpt #: 80 total cpu time spent up to now is 48.7 secs Computing kpt #: 81 total cpu time spent up to now is 49.4 secs Computing kpt #: 82 total cpu time spent up to now is 50.0 secs Computing kpt #: 83 total cpu time spent up to now is 50.6 secs Computing kpt #: 84 total cpu time spent up to now is 51.2 secs Computing kpt #: 85 total cpu time spent up to now is 51.8 secs Computing kpt #: 86 total cpu time spent up to now is 52.3 secs Computing kpt #: 87 total cpu time spent up to now is 52.8 secs Computing kpt #: 88 total cpu time spent up to now is 53.4 secs Computing kpt #: 89 total cpu time spent up to now is 53.9 secs Computing kpt #: 90 total cpu time spent up to now is 54.4 secs Computing kpt #: 91 total cpu time spent up to now is 54.9 secs Computing kpt #: 92 total cpu time spent up to now is 55.4 secs Computing kpt #: 93 total cpu time spent up to now is 55.9 secs Computing kpt #: 94 total cpu time spent up to now is 56.4 secs Computing kpt #: 95 total cpu time spent up to now is 56.9 secs Computing kpt #: 96 total cpu time spent up to now is 57.4 secs Computing kpt #: 97 total cpu time spent up to now is 57.8 secs Computing kpt #: 98 total cpu time spent up to now is 58.3 secs Computing kpt #: 99 total cpu time spent up to now is 58.8 secs Computing kpt #: 100 total cpu time spent up to now is 59.3 secs Computing kpt #: 101 total cpu time spent up to now is 59.8 secs Computing kpt #: 102 total cpu time spent up to now is 60.3 secs Computing kpt #: 103 total cpu time spent up to now is 60.8 secs Computing kpt #: 104 total cpu time spent up to now is 61.3 secs Computing kpt #: 105 total cpu time spent up to now is 61.7 secs Computing kpt #: 106 total cpu time spent up to now is 62.2 secs Computing kpt #: 107 total cpu time spent up to now is 62.7 secs Computing kpt #: 108 total cpu time spent up to now is 63.1 secs Computing kpt #: 109 total cpu time spent up to now is 63.6 secs Computing kpt #: 110 total cpu time spent up to now is 64.0 secs Computing kpt #: 111 total cpu time spent up to now is 64.4 secs Computing kpt #: 112 total cpu time spent up to now is 64.9 secs Computing kpt #: 113 total cpu time spent up to now is 65.3 secs Computing kpt #: 114 total cpu time spent up to now is 65.8 secs Computing kpt #: 115 total cpu time spent up to now is 66.2 secs Computing kpt #: 116 total cpu time spent up to now is 66.7 secs Computing kpt #: 117 total cpu time spent up to now is 67.2 secs Computing kpt #: 118 total cpu time spent up to now is 67.7 secs Computing kpt #: 119 total cpu time spent up to now is 68.2 secs Computing kpt #: 120 total cpu time spent up to now is 68.7 secs Computing kpt #: 121 total cpu time spent up to now is 69.1 secs Computing kpt #: 122 total cpu time spent up to now is 69.7 secs Computing kpt #: 123 total cpu time spent up to now is 70.1 secs Computing kpt #: 124 total cpu time spent up to now is 70.6 secs Computing kpt #: 125 total cpu time spent up to now is 71.1 secs Computing kpt #: 126 total cpu time spent up to now is 71.6 secs Computing kpt #: 127 total cpu time spent up to now is 72.3 secs Computing kpt #: 128 total cpu time spent up to now is 72.8 secs Computing kpt #: 129 total cpu time spent up to now is 73.4 secs Computing kpt #: 130 total cpu time spent up to now is 73.9 secs Computing kpt #: 131 total cpu time spent up to now is 74.5 secs Computing kpt #: 132 total cpu time spent up to now is 75.0 secs Computing kpt #: 133 total cpu time spent up to now is 75.5 secs Computing kpt #: 134 total cpu time spent up to now is 76.1 secs Computing kpt #: 135 total cpu time spent up to now is 76.6 secs Computing kpt #: 136 total cpu time spent up to now is 77.2 secs Computing kpt #: 137 total cpu time spent up to now is 77.7 secs Computing kpt #: 138 total cpu time spent up to now is 78.3 secs Computing kpt #: 139 total cpu time spent up to now is 78.9 secs Computing kpt #: 140 total cpu time spent up to now is 79.4 secs Computing kpt #: 141 total cpu time spent up to now is 80.0 secs Computing kpt #: 142 total cpu time spent up to now is 80.5 secs Computing kpt #: 143 total cpu time spent up to now is 81.0 secs Computing kpt #: 144 total cpu time spent up to now is 81.6 secs Computing kpt #: 145 total cpu time spent up to now is 82.1 secs Computing kpt #: 146 total cpu time spent up to now is 82.7 secs Computing kpt #: 147 total cpu time spent up to now is 83.2 secs Computing kpt #: 148 total cpu time spent up to now is 83.8 secs Computing kpt #: 149 total cpu time spent up to now is 84.4 secs Computing kpt #: 150 total cpu time spent up to now is 84.9 secs Computing kpt #: 151 total cpu time spent up to now is 85.5 secs Computing kpt #: 152 total cpu time spent up to now is 86.1 secs Computing kpt #: 153 total cpu time spent up to now is 86.6 secs Computing kpt #: 154 total cpu time spent up to now is 87.2 secs Computing kpt #: 155 total cpu time spent up to now is 87.7 secs Computing kpt #: 156 total cpu time spent up to now is 88.3 secs Computing kpt #: 157 total cpu time spent up to now is 88.9 secs Computing kpt #: 158 total cpu time spent up to now is 89.5 secs Computing kpt #: 159 total cpu time spent up to now is 90.1 secs Computing kpt #: 160 total cpu time spent up to now is 90.7 secs Computing kpt #: 161 total cpu time spent up to now is 91.2 secs Computing kpt #: 162 total cpu time spent up to now is 91.8 secs Computing kpt #: 163 total cpu time spent up to now is 92.4 secs Computing kpt #: 164 total cpu time spent up to now is 92.9 secs Computing kpt #: 165 total cpu time spent up to now is 93.5 secs Computing kpt #: 166 total cpu time spent up to now is 94.1 secs Computing kpt #: 167 total cpu time spent up to now is 94.7 secs Computing kpt #: 168 total cpu time spent up to now is 95.3 secs Computing kpt #: 169 total cpu time spent up to now is 95.8 secs Computing kpt #: 170 total cpu time spent up to now is 96.3 secs Computing kpt #: 171 total cpu time spent up to now is 96.8 secs Computing kpt #: 172 total cpu time spent up to now is 97.3 secs Computing kpt #: 173 total cpu time spent up to now is 97.8 secs Computing kpt #: 174 total cpu time spent up to now is 98.3 secs Computing kpt #: 175 total cpu time spent up to now is 98.8 secs Computing kpt #: 176 total cpu time spent up to now is 99.3 secs Computing kpt #: 177 total cpu time spent up to now is 99.8 secs Computing kpt #: 178 total cpu time spent up to now is 100.3 secs Computing kpt #: 179 total cpu time spent up to now is 100.8 secs Computing kpt #: 180 total cpu time spent up to now is 101.3 secs Computing kpt #: 181 total cpu time spent up to now is 101.8 secs Computing kpt #: 182 total cpu time spent up to now is 102.3 secs Computing kpt #: 183 total cpu time spent up to now is 102.8 secs Computing kpt #: 184 total cpu time spent up to now is 103.3 secs Computing kpt #: 185 total cpu time spent up to now is 103.8 secs Computing kpt #: 186 total cpu time spent up to now is 104.3 secs Computing kpt #: 187 total cpu time spent up to now is 104.8 secs Computing kpt #: 188 total cpu time spent up to now is 105.3 secs Computing kpt #: 189 total cpu time spent up to now is 105.9 secs Computing kpt #: 190 total cpu time spent up to now is 106.4 secs Computing kpt #: 191 total cpu time spent up to now is 106.9 secs Computing kpt #: 192 total cpu time spent up to now is 107.4 secs Computing kpt #: 193 total cpu time spent up to now is 107.9 secs Computing kpt #: 194 total cpu time spent up to now is 108.4 secs Computing kpt #: 195 total cpu time spent up to now is 108.9 secs Computing kpt #: 196 total cpu time spent up to now is 109.5 secs Computing kpt #: 197 total cpu time spent up to now is 110.0 secs Computing kpt #: 198 total cpu time spent up to now is 110.5 secs Computing kpt #: 199 total cpu time spent up to now is 111.0 secs Computing kpt #: 200 total cpu time spent up to now is 111.5 secs Computing kpt #: 201 total cpu time spent up to now is 112.0 secs Computing kpt #: 202 total cpu time spent up to now is 112.5 secs Computing kpt #: 203 total cpu time spent up to now is 113.1 secs Computing kpt #: 204 total cpu time spent up to now is 113.6 secs Computing kpt #: 205 total cpu time spent up to now is 114.1 secs Computing kpt #: 206 total cpu time spent up to now is 114.6 secs Computing kpt #: 207 total cpu time spent up to now is 115.1 secs Computing kpt #: 208 total cpu time spent up to now is 115.6 secs Computing kpt #: 209 total cpu time spent up to now is 116.1 secs Computing kpt #: 210 total cpu time spent up to now is 116.6 secs Computing kpt #: 211 total cpu time spent up to now is 117.2 secs Computing kpt #: 212 total cpu time spent up to now is 117.7 secs Computing kpt #: 213 total cpu time spent up to now is 118.2 secs Computing kpt #: 214 total cpu time spent up to now is 118.7 secs Computing kpt #: 215 total cpu time spent up to now is 119.3 secs Computing kpt #: 216 total cpu time spent up to now is 119.8 secs Computing kpt #: 217 total cpu time spent up to now is 120.3 secs Computing kpt #: 218 total cpu time spent up to now is 120.8 secs Computing kpt #: 219 total cpu time spent up to now is 121.4 secs Computing kpt #: 220 total cpu time spent up to now is 122.0 secs Computing kpt #: 221 total cpu time spent up to now is 122.5 secs Computing kpt #: 222 total cpu time spent up to now is 123.1 secs Computing kpt #: 223 total cpu time spent up to now is 123.7 secs Computing kpt #: 224 total cpu time spent up to now is 124.3 secs Computing kpt #: 225 total cpu time spent up to now is 124.9 secs Computing kpt #: 226 total cpu time spent up to now is 125.5 secs Computing kpt #: 227 total cpu time spent up to now is 126.1 secs Computing kpt #: 228 total cpu time spent up to now is 126.7 secs Computing kpt #: 229 total cpu time spent up to now is 127.3 secs Computing kpt #: 230 total cpu time spent up to now is 128.0 secs Computing kpt #: 231 total cpu time spent up to now is 128.6 secs Computing kpt #: 232 total cpu time spent up to now is 129.2 secs Computing kpt #: 233 total cpu time spent up to now is 129.7 secs Computing kpt #: 234 total cpu time spent up to now is 130.2 secs Computing kpt #: 235 total cpu time spent up to now is 130.8 secs Computing kpt #: 236 total cpu time spent up to now is 131.4 secs Computing kpt #: 237 total cpu time spent up to now is 132.0 secs Computing kpt #: 238 total cpu time spent up to now is 132.6 secs Computing kpt #: 239 total cpu time spent up to now is 133.2 secs Computing kpt #: 240 total cpu time spent up to now is 133.8 secs Computing kpt #: 241 total cpu time spent up to now is 134.4 secs Computing kpt #: 242 total cpu time spent up to now is 135.0 secs Computing kpt #: 243 total cpu time spent up to now is 135.6 secs Computing kpt #: 244 total cpu time spent up to now is 136.2 secs Computing kpt #: 245 total cpu time spent up to now is 136.7 secs Computing kpt #: 246 total cpu time spent up to now is 137.2 secs Computing kpt #: 247 total cpu time spent up to now is 137.7 secs Computing kpt #: 248 total cpu time spent up to now is 138.3 secs Computing kpt #: 249 total cpu time spent up to now is 138.8 secs Computing kpt #: 250 total cpu time spent up to now is 139.3 secs Computing kpt #: 251 total cpu time spent up to now is 139.8 secs Computing kpt #: 252 total cpu time spent up to now is 140.3 secs Computing kpt #: 253 total cpu time spent up to now is 140.9 secs Computing kpt #: 254 total cpu time spent up to now is 141.4 secs Computing kpt #: 255 total cpu time spent up to now is 142.0 secs Computing kpt #: 256 total cpu time spent up to now is 144.3 secs Computing kpt #: 257 total cpu time spent up to now is 144.8 secs Computing kpt #: 258 total cpu time spent up to now is 145.4 secs Computing kpt #: 259 total cpu time spent up to now is 145.9 secs Computing kpt #: 260 total cpu time spent up to now is 146.4 secs Computing kpt #: 261 total cpu time spent up to now is 146.9 secs Computing kpt #: 262 total cpu time spent up to now is 147.4 secs Computing kpt #: 263 total cpu time spent up to now is 147.9 secs Computing kpt #: 264 total cpu time spent up to now is 148.5 secs Computing kpt #: 265 total cpu time spent up to now is 149.0 secs Computing kpt #: 266 total cpu time spent up to now is 149.5 secs Computing kpt #: 267 total cpu time spent up to now is 150.0 secs Computing kpt #: 268 total cpu time spent up to now is 150.5 secs Computing kpt #: 269 total cpu time spent up to now is 151.0 secs Computing kpt #: 270 total cpu time spent up to now is 151.5 secs Computing kpt #: 271 total cpu time spent up to now is 152.0 secs Computing kpt #: 272 total cpu time spent up to now is 152.5 secs Computing kpt #: 273 total cpu time spent up to now is 153.0 secs Computing kpt #: 274 total cpu time spent up to now is 153.5 secs Computing kpt #: 275 total cpu time spent up to now is 154.0 secs Computing kpt #: 276 total cpu time spent up to now is 154.5 secs Computing kpt #: 277 total cpu time spent up to now is 155.0 secs Computing kpt #: 278 total cpu time spent up to now is 155.5 secs Computing kpt #: 279 total cpu time spent up to now is 156.0 secs Computing kpt #: 280 total cpu time spent up to now is 156.5 secs Computing kpt #: 281 total cpu time spent up to now is 157.0 secs Computing kpt #: 282 total cpu time spent up to now is 157.6 secs Computing kpt #: 283 total cpu time spent up to now is 158.1 secs Computing kpt #: 284 total cpu time spent up to now is 158.6 secs Computing kpt #: 285 total cpu time spent up to now is 159.2 secs Computing kpt #: 286 total cpu time spent up to now is 159.8 secs Computing kpt #: 287 total cpu time spent up to now is 160.3 secs Computing kpt #: 288 total cpu time spent up to now is 160.8 secs Computing kpt #: 289 total cpu time spent up to now is 161.3 secs Computing kpt #: 290 total cpu time spent up to now is 161.8 secs Computing kpt #: 291 total cpu time spent up to now is 162.3 secs Computing kpt #: 292 total cpu time spent up to now is 162.8 secs Computing kpt #: 293 total cpu time spent up to now is 163.3 secs Computing kpt #: 294 total cpu time spent up to now is 163.8 secs Computing kpt #: 295 total cpu time spent up to now is 164.3 secs Computing kpt #: 296 total cpu time spent up to now is 164.8 secs Computing kpt #: 297 total cpu time spent up to now is 165.3 secs Computing kpt #: 298 total cpu time spent up to now is 165.7 secs Computing kpt #: 299 total cpu time spent up to now is 166.3 secs Computing kpt #: 300 total cpu time spent up to now is 166.7 secs Computing kpt #: 301 total cpu time spent up to now is 167.2 secs Computing kpt #: 302 total cpu time spent up to now is 167.7 secs Computing kpt #: 303 total cpu time spent up to now is 168.2 secs Computing kpt #: 304 total cpu time spent up to now is 168.7 secs Computing kpt #: 305 total cpu time spent up to now is 169.2 secs Computing kpt #: 306 total cpu time spent up to now is 169.7 secs Computing kpt #: 307 total cpu time spent up to now is 170.2 secs Computing kpt #: 308 total cpu time spent up to now is 170.7 secs Computing kpt #: 309 total cpu time spent up to now is 171.2 secs Computing kpt #: 310 total cpu time spent up to now is 171.7 secs Computing kpt #: 311 total cpu time spent up to now is 172.3 secs Computing kpt #: 312 total cpu time spent up to now is 172.9 secs Computing kpt #: 313 total cpu time spent up to now is 173.5 secs Computing kpt #: 314 total cpu time spent up to now is 174.1 secs Computing kpt #: 315 total cpu time spent up to now is 174.6 secs Computing kpt #: 316 total cpu time spent up to now is 175.2 secs Computing kpt #: 317 total cpu time spent up to now is 175.8 secs Computing kpt #: 318 total cpu time spent up to now is 176.3 secs Computing kpt #: 319 total cpu time spent up to now is 176.9 secs Computing kpt #: 320 total cpu time spent up to now is 177.4 secs Computing kpt #: 321 total cpu time spent up to now is 177.9 secs Computing kpt #: 322 total cpu time spent up to now is 178.4 secs Computing kpt #: 323 total cpu time spent up to now is 178.9 secs Computing kpt #: 324 total cpu time spent up to now is 179.4 secs Computing kpt #: 325 total cpu time spent up to now is 180.0 secs Computing kpt #: 326 total cpu time spent up to now is 180.5 secs Computing kpt #: 327 total cpu time spent up to now is 181.0 secs Computing kpt #: 328 total cpu time spent up to now is 181.5 secs Computing kpt #: 329 total cpu time spent up to now is 182.0 secs Computing kpt #: 330 total cpu time spent up to now is 182.4 secs Computing kpt #: 331 total cpu time spent up to now is 182.9 secs Computing kpt #: 332 total cpu time spent up to now is 183.4 secs Computing kpt #: 333 total cpu time spent up to now is 183.9 secs ethr = 2.08E-08, avg # of iterations = 21.1 total cpu time spent up to now is 183.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5223 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3774 -10.3774 -10.3314 -10.3314 -9.2966 -9.2966 -9.2599 -9.2599 -9.2051 -9.2051 -9.1674 -9.1674 -7.7816 -7.7816 -7.4522 -7.4522 1.5555 1.5555 1.6132 1.6132 1.6139 1.6139 1.9021 1.9021 2.5291 2.5291 2.5780 2.5780 3.3995 3.3995 3.9806 3.9806 4.2226 4.2226 4.6664 4.6664 5.1404 5.1404 5.2199 5.2199 10.2627 10.2627 10.2704 10.2704 11.1518 11.1518 11.9400 11.9400 12.1073 12.1073 k = 0.0000 0.0132-0.0000 ( 5219 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2154 -16.2154 -10.3779 -10.3779 -10.3310 -10.3310 -9.2968 -9.2968 -9.2612 -9.2612 -9.2042 -9.2042 -9.1669 -9.1669 -7.7813 -7.7813 -7.4519 -7.4519 1.5556 1.5556 1.6135 1.6135 1.6142 1.6142 1.9022 1.9022 2.5285 2.5285 2.5774 2.5774 3.4004 3.4004 3.9801 3.9801 4.2217 4.2217 4.6658 4.6658 5.1397 5.1397 5.2180 5.2180 10.2672 10.2672 10.2738 10.2738 11.1529 11.1529 11.9417 11.9417 12.1088 12.1088 k = 0.0000 0.0263-0.0000 ( 5209 PWs) bands (ev): -27.6004 -27.6004 -27.5599 -27.5599 -16.5244 -16.5244 -16.2161 -16.2161 -10.3791 -10.3791 -10.3299 -10.3299 -9.2974 -9.2974 -9.2648 -9.2648 -9.2019 -9.2019 -9.1654 -9.1654 -7.7803 -7.7803 -7.4513 -7.4513 1.5560 1.5560 1.6143 1.6143 1.6150 1.6150 1.9024 1.9024 2.5268 2.5268 2.5757 2.5757 3.4030 3.4030 3.9784 3.9784 4.2190 4.2190 4.6641 4.6641 5.1376 5.1376 5.2124 5.2124 10.2808 10.2808 10.2841 10.2841 11.1565 11.1565 11.9467 11.9467 12.1133 12.1133 k = 0.0000 0.0395-0.0000 ( 5208 PWs) bands (ev): -27.6003 -27.6003 -27.5599 -27.5599 -16.5242 -16.5242 -16.2173 -16.2173 -10.3811 -10.3811 -10.3283 -10.3283 -9.2985 -9.2985 -9.2697 -9.2697 -9.1990 -9.1990 -9.1628 -9.1628 -7.7788 -7.7788 -7.4502 -7.4502 1.5567 1.5567 1.6157 1.6157 1.6163 1.6163 1.9028 1.9028 2.5240 2.5240 2.5727 2.5727 3.4073 3.4073 3.9754 3.9754 4.2147 4.2147 4.6611 4.6611 5.1338 5.1338 5.2036 5.2036 10.3010 10.3010 10.3032 10.3032 11.1624 11.1624 11.9549 11.9549 12.1207 12.1207 k = 0.0000 0.0526-0.0000 ( 5222 PWs) bands (ev): -27.6000 -27.6000 -27.5599 -27.5599 -16.5239 -16.5239 -16.2190 -16.2190 -10.3835 -10.3835 -10.3263 -10.3263 -9.3005 -9.3005 -9.2752 -9.2752 -9.1961 -9.1961 -9.1592 -9.1592 -7.7766 -7.7766 -7.4487 -7.4487 1.5577 1.5577 1.6175 1.6175 1.6183 1.6183 1.9033 1.9033 2.5201 2.5201 2.5686 2.5686 3.4131 3.4131 3.9711 3.9711 4.2092 4.2092 4.6566 4.6566 5.1279 5.1279 5.1925 5.1925 10.3246 10.3246 10.3341 10.3341 11.1706 11.1706 11.9659 11.9659 12.1310 12.1310 k = 0.0000 0.0658-0.0000 ( 5228 PWs) bands (ev): -27.5997 -27.5997 -27.5599 -27.5599 -16.5236 -16.5236 -16.2211 -16.2211 -10.3864 -10.3864 -10.3240 -10.3240 -9.3036 -9.3036 -9.2803 -9.2803 -9.1935 -9.1935 -9.1548 -9.1548 -7.7738 -7.7738 -7.4467 -7.4467 1.5589 1.5589 1.6197 1.6197 1.6209 1.6209 1.9038 1.9038 2.5152 2.5152 2.5634 2.5634 3.4203 3.4203 3.9653 3.9653 4.2029 4.2029 4.6505 4.6505 5.1191 5.1191 5.1802 5.1802 10.3547 10.3547 10.3731 10.3731 11.1809 11.1809 11.9791 11.9791 12.1442 12.1442 k = 0.0000 0.0789-0.0000 ( 5232 PWs) bands (ev): -27.5993 -27.5993 -27.5599 -27.5599 -16.5232 -16.5232 -16.2237 -16.2237 -10.3894 -10.3894 -10.3216 -10.3216 -9.3081 -9.3081 -9.2843 -9.2843 -9.1915 -9.1915 -9.1498 -9.1498 -7.7703 -7.7703 -7.4444 -7.4444 1.5603 1.5603 1.6224 1.6224 1.6242 1.6242 1.9045 1.9045 2.5093 2.5093 2.5572 2.5572 3.4285 3.4285 3.9577 3.9577 4.1963 4.1963 4.6425 4.6425 5.1066 5.1066 5.1681 5.1681 10.3911 10.3911 10.4198 10.4198 11.1935 11.1935 11.9938 11.9938 12.1601 12.1601 k = 0.0000 0.0921-0.0000 ( 5234 PWs) bands (ev): -27.5988 -27.5988 -27.5599 -27.5599 -16.5226 -16.5226 -16.2267 -16.2267 -10.3926 -10.3926 -10.3191 -10.3191 -9.3138 -9.3138 -9.2872 -9.2872 -9.1898 -9.1898 -9.1445 -9.1445 -7.7663 -7.7663 -7.4418 -7.4418 1.5620 1.5620 1.6256 1.6256 1.6281 1.6281 1.9052 1.9052 2.5024 2.5024 2.5501 2.5501 3.4376 3.4376 3.9482 3.9482 4.1900 4.1900 4.6323 4.6323 5.0901 5.0901 5.1574 5.1574 10.4335 10.4335 10.4737 10.4737 11.2080 11.2080 12.0088 12.0088 12.1788 12.1788 k = 0.0000 0.1053-0.0000 ( 5236 PWs) bands (ev): -27.5983 -27.5983 -27.5598 -27.5598 -16.5220 -16.5220 -16.2301 -16.2301 -10.3958 -10.3958 -10.3167 -10.3167 -9.3205 -9.3205 -9.2892 -9.2892 -9.1885 -9.1885 -9.1392 -9.1392 -7.7615 -7.7615 -7.4388 -7.4388 1.5640 1.5640 1.6293 1.6293 1.6325 1.6325 1.9058 1.9058 2.4947 2.4947 2.5421 2.5421 3.4473 3.4473 3.9367 3.9367 4.1843 4.1843 4.6199 4.6199 5.0701 5.0701 5.1480 5.1480 10.4817 10.4817 10.5340 10.5340 11.2245 11.2245 12.0226 12.0226 12.2002 12.2002 k = 0.0000 0.1184-0.0000 ( 5234 PWs) bands (ev): -27.5977 -27.5977 -27.5598 -27.5598 -16.5213 -16.5213 -16.2339 -16.2339 -10.3989 -10.3989 -10.3145 -10.3145 -9.3275 -9.3275 -9.2906 -9.2906 -9.1875 -9.1875 -9.1341 -9.1341 -7.7561 -7.7561 -7.4355 -7.4355 1.5662 1.5662 1.6335 1.6335 1.6375 1.6375 1.9065 1.9065 2.4862 2.4862 2.5334 2.5334 3.4572 3.4572 3.9231 3.9231 4.1796 4.1796 4.6052 4.6052 5.0478 5.0478 5.1397 5.1397 10.5354 10.5354 10.6002 10.6002 11.2428 11.2428 12.0331 12.0331 12.2241 12.2241 k = 0.0000 0.1316-0.0000 ( 5238 PWs) bands (ev): -27.5971 -27.5971 -27.5598 -27.5598 -16.5205 -16.5205 -16.2382 -16.2382 -10.4020 -10.4020 -10.3124 -10.3124 -9.3345 -9.3345 -9.2917 -9.2917 -9.1868 -9.1868 -9.1294 -9.1294 -7.7500 -7.7500 -7.4320 -7.4320 1.5686 1.5686 1.6381 1.6381 1.6431 1.6431 1.9070 1.9070 2.4770 2.4770 2.5239 2.5239 3.4669 3.4669 3.9075 3.9075 4.1761 4.1761 4.5883 4.5883 5.0241 5.0241 5.1319 5.1319 10.5942 10.5942 10.6715 10.6715 11.2629 11.2629 12.0382 12.0382 12.2506 12.2506 k = 0.0000 0.1447-0.0000 ( 5238 PWs) bands (ev): -27.5964 -27.5964 -27.5598 -27.5598 -16.5196 -16.5196 -16.2428 -16.2428 -10.4049 -10.4049 -10.3105 -10.3105 -9.3414 -9.3414 -9.2925 -9.2925 -9.1863 -9.1863 -9.1252 -9.1252 -7.7433 -7.7433 -7.4283 -7.4283 1.5712 1.5712 1.6434 1.6434 1.6493 1.6493 1.9074 1.9074 2.4669 2.4669 2.5139 2.5139 3.4762 3.4762 3.8900 3.8900 4.1740 4.1740 4.5695 4.5695 5.0000 5.0000 5.1242 5.1242 10.6578 10.6578 10.7472 10.7472 11.2845 11.2845 12.0357 12.0357 12.2794 12.2794 k = 0.0000 0.1579-0.0000 ( 5238 PWs) bands (ev): -27.5956 -27.5956 -27.5598 -27.5598 -16.5186 -16.5186 -16.2478 -16.2478 -10.4076 -10.4076 -10.3089 -10.3089 -9.3479 -9.3479 -9.2932 -9.2932 -9.1860 -9.1860 -9.1216 -9.1216 -7.7359 -7.7359 -7.4244 -7.4244 1.5741 1.5741 1.6491 1.6491 1.6560 1.6560 1.9076 1.9076 2.4562 2.4562 2.5033 2.5033 3.4847 3.4847 3.8709 3.8709 4.1731 4.1731 4.5493 4.5493 4.9760 4.9760 5.1165 5.1165 10.7257 10.7257 10.8266 10.8266 11.3077 11.3077 12.0245 12.0245 12.3105 12.3105 k = 0.0000 0.1711-0.0000 ( 5246 PWs) bands (ev): -27.5948 -27.5948 -27.5599 -27.5599 -16.5175 -16.5175 -16.2531 -16.2531 -10.4101 -10.4101 -10.3076 -10.3076 -9.3541 -9.3541 -9.2937 -9.2937 -9.1860 -9.1860 -9.1187 -9.1187 -7.7279 -7.7279 -7.4204 -7.4204 1.5772 1.5772 1.6553 1.6553 1.6633 1.6633 1.9075 1.9075 2.4446 2.4446 2.4924 2.4924 3.4920 3.4920 3.8503 3.8503 4.1733 4.1733 4.5283 4.5283 4.9525 4.9525 5.1086 5.1086 10.7973 10.7973 10.9088 10.9088 11.3323 11.3323 12.0049 12.0049 12.3426 12.3426 k = 0.0000 0.1842-0.0000 ( 5254 PWs) bands (ev): -27.5940 -27.5940 -27.5599 -27.5599 -16.5162 -16.5162 -16.2587 -16.2587 -10.4123 -10.4123 -10.3065 -10.3065 -9.3598 -9.3598 -9.2940 -9.2940 -9.1861 -9.1861 -9.1165 -9.1165 -7.7192 -7.7192 -7.4164 -7.4164 1.5805 1.5805 1.6621 1.6621 1.6711 1.6711 1.9072 1.9072 2.4322 2.4322 2.4811 2.4811 3.4978 3.4978 3.8285 3.8285 4.1745 4.1745 4.5075 4.5075 4.9296 4.9296 5.1005 5.1005 10.8722 10.8722 10.9930 10.9930 11.3584 11.3584 11.9780 11.9780 12.3379 12.3379 k = 0.0000 0.1974-0.0000 ( 5264 PWs) bands (ev): -27.5931 -27.5931 -27.5599 -27.5599 -16.5148 -16.5148 -16.2647 -16.2647 -10.4142 -10.4142 -10.3058 -10.3058 -9.3649 -9.3649 -9.2942 -9.2942 -9.1865 -9.1865 -9.1150 -9.1150 -7.7099 -7.7099 -7.4123 -7.4123 1.5840 1.5840 1.6694 1.6694 1.6795 1.6795 1.9065 1.9065 2.4191 2.4191 2.4696 2.4696 3.5018 3.5018 3.8056 3.8056 4.1765 4.1765 4.4877 4.4877 4.9074 4.9074 5.0921 5.0921 10.9494 10.9494 11.0783 11.0783 11.3860 11.3860 11.9457 11.9457 12.2685 12.2685 k = 0.0000 0.2105-0.0000 ( 5256 PWs) bands (ev): -27.5921 -27.5921 -27.5600 -27.5600 -16.5132 -16.5132 -16.2709 -16.2709 -10.4158 -10.4158 -10.3054 -10.3054 -9.3695 -9.3695 -9.2943 -9.2943 -9.1871 -9.1871 -9.1143 -9.1143 -7.7000 -7.7000 -7.4083 -7.4083 1.5878 1.5878 1.6772 1.6772 1.6884 1.6884 1.9054 1.9054 2.4051 2.4051 2.4579 2.4579 3.5038 3.5038 3.7819 3.7819 4.1790 4.1790 4.4699 4.4699 4.8858 4.8858 5.0834 5.0834 11.0281 11.0281 11.1636 11.1636 11.4155 11.4155 11.9098 11.9098 12.1977 12.1977 k = 0.0000 0.2237-0.0000 ( 5248 PWs) bands (ev): -27.5911 -27.5911 -27.5601 -27.5601 -16.5115 -16.5115 -16.2774 -16.2774 -10.4171 -10.4171 -10.3053 -10.3053 -9.3734 -9.3734 -9.2943 -9.2943 -9.1879 -9.1879 -9.1144 -9.1144 -7.6895 -7.6895 -7.4045 -7.4045 1.5918 1.5918 1.6856 1.6856 1.6978 1.6978 1.9039 1.9039 2.3904 2.3904 2.4459 2.4459 3.5038 3.5038 3.7575 3.7575 4.1819 4.1819 4.4548 4.4548 4.8648 4.8648 5.0744 5.0744 11.1068 11.1068 11.2476 11.2476 11.4472 11.4472 11.8720 11.8720 12.1288 12.1288 k = 0.0000 0.2368-0.0000 ( 5252 PWs) bands (ev): -27.5901 -27.5901 -27.5602 -27.5602 -16.5096 -16.5096 -16.2841 -16.2841 -10.4180 -10.4180 -10.3056 -10.3056 -9.3767 -9.3767 -9.2942 -9.2942 -9.1889 -9.1889 -9.1152 -9.1152 -7.6786 -7.6786 -7.4008 -7.4008 1.5962 1.5962 1.6945 1.6945 1.7077 1.7077 1.9019 1.9019 2.3748 2.3748 2.4336 2.4336 3.5016 3.5016 3.7324 3.7324 4.1849 4.1849 4.4433 4.4433 4.8444 4.8444 5.0650 5.0650 11.1838 11.1838 11.3287 11.3287 11.4819 11.4819 11.8342 11.8342 12.0633 12.0633 k = 0.0000 0.2500-0.0000 ( 5248 PWs) bands (ev): -27.5891 -27.5891 -27.5603 -27.5603 -16.5076 -16.5076 -16.2910 -16.2910 -10.4186 -10.4186 -10.3062 -10.3062 -9.3793 -9.3793 -9.2940 -9.2940 -9.1902 -9.1902 -9.1168 -9.1168 -7.6671 -7.6671 -7.3973 -7.3973 1.6008 1.6008 1.7040 1.7040 1.7182 1.7182 1.8995 1.8995 2.3586 2.3586 2.4209 2.4209 3.4973 3.4973 3.7069 3.7069 4.1881 4.1881 4.4357 4.4357 4.8244 4.8244 5.0553 5.0553 11.2564 11.2564 11.4044 11.4044 11.5204 11.5204 11.7984 11.7984 12.0028 12.0028 k = 0.0000 0.2632-0.0000 ( 5234 PWs) bands (ev): -27.5880 -27.5880 -27.5604 -27.5604 -16.5054 -16.5054 -16.2980 -16.2980 -10.4188 -10.4188 -10.3071 -10.3071 -9.3813 -9.3813 -9.2937 -9.2937 -9.1916 -9.1916 -9.1191 -9.1191 -7.6552 -7.6552 -7.3941 -7.3941 1.6057 1.6057 1.7141 1.7141 1.7292 1.7292 1.8965 1.8965 2.3417 2.3417 2.4077 2.4077 3.4911 3.4911 3.6811 3.6811 4.1915 4.1915 4.4321 4.4321 4.8048 4.8048 5.0451 5.0451 11.3216 11.3216 11.4707 11.4707 11.5624 11.5624 11.7681 11.7681 11.9506 11.9506 k = 0.0000 0.2763-0.0000 ( 5236 PWs) bands (ev): -27.5869 -27.5869 -27.5606 -27.5606 -16.5030 -16.5030 -16.3053 -16.3053 -10.4187 -10.4187 -10.3084 -10.3084 -9.3825 -9.3825 -9.2933 -9.2933 -9.1933 -9.1933 -9.1221 -9.1221 -7.6429 -7.6429 -7.3913 -7.3913 1.6110 1.6110 1.7247 1.7247 1.7407 1.7407 1.8931 1.8931 2.3242 2.3242 2.3939 2.3939 3.4832 3.4832 3.6553 3.6553 4.1953 4.1953 4.4323 4.4323 4.7858 4.7858 5.0346 5.0346 11.3767 11.3767 11.5201 11.5201 11.6038 11.6038 11.7500 11.7500 11.9130 11.9130 k = 0.0000 0.2895-0.0000 ( 5234 PWs) bands (ev): -27.5858 -27.5858 -27.5608 -27.5608 -16.5004 -16.5004 -16.3126 -16.3126 -10.4182 -10.4182 -10.3100 -10.3100 -9.3831 -9.3831 -9.2929 -9.2929 -9.1951 -9.1951 -9.1257 -9.1257 -7.6302 -7.6302 -7.3888 -7.3888 1.6166 1.6166 1.7359 1.7359 1.7527 1.7527 1.8891 1.8891 2.3062 2.3062 2.3793 2.3793 3.4738 3.4738 3.6297 3.6297 4.1997 4.1997 4.4358 4.4358 4.7672 4.7672 5.0236 5.0236 11.4207 11.4207 11.5427 11.5427 11.6326 11.6326 11.7537 11.7537 11.9024 11.9024 k = 0.0000 0.3026-0.0000 ( 5240 PWs) bands (ev): -27.5847 -27.5847 -27.5610 -27.5610 -16.4976 -16.4976 -16.3201 -16.3201 -10.4173 -10.4173 -10.3119 -10.3119 -9.3830 -9.3830 -9.2924 -9.2924 -9.1971 -9.1971 -9.1299 -9.1299 -7.6174 -7.6174 -7.3868 -7.3868 1.6226 1.6226 1.7477 1.7477 1.7652 1.7652 1.8846 1.8846 2.2878 2.2878 2.3639 2.3639 3.4634 3.4634 3.6046 3.6046 4.2049 4.2049 4.4420 4.4420 4.7493 4.7493 5.0123 5.0123 11.4532 11.4532 11.5374 11.5374 11.6374 11.6374 11.7795 11.7795 11.9299 11.9299 k = 0.0000 0.3158-0.0000 ( 5248 PWs) bands (ev): -27.5836 -27.5836 -27.5613 -27.5613 -16.4946 -16.4946 -16.3276 -16.3276 -10.4160 -10.4160 -10.3142 -10.3142 -9.3823 -9.3823 -9.2920 -9.2920 -9.1992 -9.1992 -9.1346 -9.1346 -7.6043 -7.6043 -7.3854 -7.3854 1.6290 1.6290 1.7601 1.7601 1.7782 1.7782 1.8796 1.8796 2.2689 2.2689 2.3474 2.3474 3.4523 3.4523 3.5804 3.5804 4.2109 4.2109 4.4502 4.4502 4.7324 4.7324 5.0005 5.0005 11.4728 11.4728 11.5160 11.5160 11.6262 11.6262 11.8145 11.8145 11.9893 11.9893 k = 0.0000 0.3289-0.0000 ( 5246 PWs) bands (ev): -27.5824 -27.5824 -27.5616 -27.5616 -16.4913 -16.4913 -16.3352 -16.3352 -10.4144 -10.4144 -10.3167 -10.3167 -9.3808 -9.3808 -9.2916 -9.2916 -9.2014 -9.2014 -9.1397 -9.1397 -7.5910 -7.5910 -7.3845 -7.3845 1.6359 1.6359 1.7730 1.7730 1.7917 1.7917 1.8742 1.8742 2.2498 2.2498 2.3299 2.3299 3.4408 3.4408 3.5573 3.5573 4.2180 4.2180 4.4595 4.4595 4.7166 4.7166 4.9883 4.9883 11.4743 11.4743 11.4890 11.4890 11.6170 11.6170 11.8484 11.8484 12.0662 12.0662 k = 0.0000 0.3421-0.0000 ( 5250 PWs) bands (ev): -27.5813 -27.5813 -27.5619 -27.5619 -16.4879 -16.4879 -16.3429 -16.3429 -10.4125 -10.4125 -10.3196 -10.3196 -9.3788 -9.3788 -9.2913 -9.2913 -9.2036 -9.2036 -9.1452 -9.1452 -7.5777 -7.5777 -7.3842 -7.3842 1.6432 1.6432 1.7864 1.7864 1.8058 1.8058 1.8685 1.8685 2.2304 2.2304 2.3113 2.3113 3.4292 3.4292 3.5355 3.5355 4.2262 4.2262 4.4690 4.4690 4.7026 4.7026 4.9756 4.9756 11.4532 11.4532 11.4642 11.4642 11.6198 11.6198 11.8766 11.8766 12.1518 12.1518 k = 0.0000 0.3553-0.0000 ( 5250 PWs) bands (ev): -27.5802 -27.5802 -27.5623 -27.5623 -16.4842 -16.4842 -16.3505 -16.3505 -10.4102 -10.4102 -10.3227 -10.3227 -9.3761 -9.3761 -9.2911 -9.2911 -9.2058 -9.2058 -9.1509 -9.1509 -7.5644 -7.5644 -7.3845 -7.3845 1.6509 1.6509 1.8001 1.8001 1.8203 1.8203 1.8626 1.8626 2.2108 2.2108 2.2915 2.2915 3.4180 3.4180 3.5152 3.5152 4.2353 4.2353 4.4776 4.4776 4.6910 4.6910 4.9624 4.9624 11.4237 11.4237 11.4364 11.4364 11.6321 11.6321 11.8975 11.8975 12.2410 12.2410 k = 0.0000 0.3684-0.0000 ( 5248 PWs) bands (ev): -27.5791 -27.5791 -27.5627 -27.5627 -16.4803 -16.4803 -16.3581 -16.3581 -10.4076 -10.4076 -10.3261 -10.3261 -9.3728 -9.3728 -9.2912 -9.2912 -9.2079 -9.2079 -9.1568 -9.1568 -7.5511 -7.5511 -7.3855 -7.3855 1.6590 1.6590 1.8136 1.8136 1.8351 1.8351 1.8573 1.8573 2.1911 2.1911 2.2707 2.2707 3.4075 3.4075 3.4963 3.4963 4.2455 4.2455 4.4842 4.4842 4.6827 4.6827 4.9488 4.9488 11.3943 11.3943 11.4054 11.4054 11.6487 11.6487 11.9110 11.9110 12.3303 12.3303 k = 0.0000 0.3816-0.0000 ( 5236 PWs) bands (ev): -27.5779 -27.5779 -27.5631 -27.5631 -16.4762 -16.4762 -16.3657 -16.3657 -10.4047 -10.4047 -10.3297 -10.3297 -9.3691 -9.3691 -9.2916 -9.2916 -9.2099 -9.2099 -9.1628 -9.1628 -7.5380 -7.5380 -7.3872 -7.3872 1.6676 1.6676 1.8248 1.8248 1.8485 1.8485 1.8564 1.8564 2.1713 2.1713 2.2488 2.2488 3.3980 3.3980 3.4789 3.4789 4.2567 4.2567 4.4875 4.4875 4.6786 4.6786 4.9348 4.9348 11.3662 11.3662 11.3744 11.3744 11.6669 11.6669 11.9177 11.9177 12.3905 12.3905 k = 0.0000 0.3947-0.0000 ( 5246 PWs) bands (ev): -27.5769 -27.5769 -27.5636 -27.5636 -16.4719 -16.4719 -16.3732 -16.3732 -10.4015 -10.4015 -10.3336 -10.3336 -9.3648 -9.3648 -9.2925 -9.2925 -9.2116 -9.2116 -9.1688 -9.1688 -7.5251 -7.5251 -7.3896 -7.3896 1.6766 1.6766 1.8279 1.8279 1.8571 1.8571 1.8692 1.8692 2.1515 2.1515 2.2260 2.2260 3.3897 3.3897 3.4629 3.4629 4.2687 4.2687 4.4868 4.4868 4.6792 4.6792 4.9202 4.9202 11.3400 11.3400 11.3451 11.3451 11.6855 11.6855 11.9188 11.9188 12.4007 12.4007 k = 0.0000 0.4079-0.0000 ( 5254 PWs) bands (ev): -27.5758 -27.5758 -27.5642 -27.5642 -16.4673 -16.4673 -16.3806 -16.3806 -10.3981 -10.3981 -10.3376 -10.3376 -9.3601 -9.3601 -9.2938 -9.2938 -9.2129 -9.2129 -9.1747 -9.1747 -7.5125 -7.5125 -7.3928 -7.3928 1.6859 1.6859 1.8232 1.8232 1.8704 1.8704 1.8859 1.8859 2.1317 2.1317 2.2025 2.2025 3.3829 3.3829 3.4482 3.4482 4.2815 4.2815 4.4820 4.4820 4.6844 4.6844 4.9052 4.9052 11.3161 11.3161 11.3185 11.3185 11.7041 11.7041 11.9151 11.9151 12.4099 12.4099 k = 0.0000 0.4211-0.0000 ( 5266 PWs) bands (ev): -27.5747 -27.5747 -27.5648 -27.5648 -16.4625 -16.4625 -16.3879 -16.3879 -10.3944 -10.3944 -10.3418 -10.3418 -9.3550 -9.3550 -9.2958 -9.2958 -9.2138 -9.2138 -9.1803 -9.1803 -7.5002 -7.5002 -7.3968 -7.3968 1.6956 1.6956 1.8157 1.8157 1.8862 1.8862 1.9037 1.9037 2.1120 2.1120 2.1784 2.1784 3.3777 3.3777 3.4349 3.4349 4.2950 4.2950 4.4735 4.4735 4.6937 4.6937 4.8897 4.8897 11.2948 11.2948 11.2951 11.2951 11.7224 11.7224 11.9078 11.9078 12.4213 12.4213 k = 0.0000 0.4342-0.0000 ( 5266 PWs) bands (ev): -27.5737 -27.5737 -27.5654 -27.5654 -16.4574 -16.4574 -16.3951 -16.3951 -10.3905 -10.3905 -10.3461 -10.3461 -9.3495 -9.3495 -9.2984 -9.2984 -9.2142 -9.2142 -9.1858 -9.1858 -7.4882 -7.4882 -7.4015 -7.4015 1.7055 1.7055 1.8071 1.8071 1.9031 1.9031 1.9223 1.9223 2.0923 2.0923 2.1539 2.1539 3.3742 3.3742 3.4228 3.4228 4.3092 4.3092 4.4622 4.4622 4.7061 4.7061 4.8737 4.8737 11.2751 11.2751 11.2763 11.2763 11.7404 11.7404 11.8978 11.8978 12.4351 12.4351 k = 0.0000 0.4474-0.0000 ( 5242 PWs) bands (ev): -27.5727 -27.5727 -27.5660 -27.5660 -16.4521 -16.4521 -16.4021 -16.4021 -10.3864 -10.3864 -10.3505 -10.3505 -9.3439 -9.3439 -9.3017 -9.3017 -9.2139 -9.2139 -9.1908 -9.1908 -7.4768 -7.4768 -7.4070 -7.4070 1.7157 1.7157 1.7978 1.7978 1.9206 1.9206 1.9418 1.9418 2.0730 2.0730 2.1292 2.1292 3.3723 3.3723 3.4119 3.4119 4.3240 4.3240 4.4490 4.4490 4.7207 4.7207 4.8573 4.8573 11.2588 11.2588 11.2607 11.2607 11.7581 11.7581 11.8857 11.8857 12.4516 12.4516 k = 0.0000 0.4605-0.0000 ( 5238 PWs) bands (ev): -27.5717 -27.5717 -27.5667 -27.5667 -16.4466 -16.4466 -16.4090 -16.4090 -10.3821 -10.3821 -10.3550 -10.3550 -9.3380 -9.3380 -9.3056 -9.3056 -9.2131 -9.2131 -9.1955 -9.1955 -7.4658 -7.4658 -7.4133 -7.4133 1.7261 1.7261 1.7881 1.7881 1.9384 1.9384 1.9620 1.9620 2.0539 2.0539 2.1046 2.1046 3.3721 3.3721 3.4022 3.4022 4.3393 4.3393 4.4344 4.4344 4.7367 4.7367 4.8405 4.8405 11.2463 11.2463 11.2482 11.2482 11.7755 11.7755 11.8721 11.8721 12.4706 12.4706 k = 0.0000 0.4737-0.0000 ( 5236 PWs) bands (ev): -27.5708 -27.5708 -27.5675 -27.5675 -16.4408 -16.4408 -16.4158 -16.4158 -10.3778 -10.3778 -10.3596 -10.3596 -9.3321 -9.3321 -9.3101 -9.3101 -9.2116 -9.2116 -9.1998 -9.1998 -7.4554 -7.4554 -7.4203 -7.4203 1.7365 1.7365 1.7781 1.7781 1.9563 1.9563 1.9824 1.9824 2.0358 2.0358 2.0802 2.0802 3.3735 3.3735 3.3938 3.3938 4.3549 4.3549 4.4190 4.4190 4.7535 4.7535 4.8234 4.8234 11.2374 11.2374 11.2390 11.2390 11.7926 11.7926 11.8574 11.8574 12.4921 12.4921 k = 0.0000 0.4868-0.0000 ( 5240 PWs) bands (ev): -27.5699 -27.5699 -27.5682 -27.5682 -16.4349 -16.4349 -16.4224 -16.4224 -10.3733 -10.3733 -10.3642 -10.3642 -9.3263 -9.3263 -9.3152 -9.3152 -9.2095 -9.2095 -9.2035 -9.2035 -7.4456 -7.4456 -7.4280 -7.4280 1.7470 1.7470 1.7679 1.7679 1.9742 1.9742 1.9983 1.9983 2.0231 2.0231 2.0565 2.0565 3.3764 3.3764 3.3866 3.3866 4.3709 4.3709 4.4031 4.4031 4.7709 4.7709 4.8060 4.8060 11.2323 11.2323 11.2332 11.2332 11.8094 11.8094 11.8419 11.8419 12.5161 12.5161 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3688 -10.3688 -10.3688 -10.3688 -9.3206 -9.3206 -9.3206 -9.3206 -9.2068 -9.2068 -9.2068 -9.2068 -7.4365 -7.4365 -7.4365 -7.4365 1.7575 1.7575 1.7575 1.7575 1.9912 1.9912 1.9912 1.9912 2.0345 2.0345 2.0345 2.0345 3.3808 3.3808 3.3808 3.3808 4.3870 4.3870 4.3870 4.3870 4.7884 4.7884 4.7884 4.7884 11.2310 11.2310 11.2310 11.2310 11.8259 11.8259 11.8259 11.8259 12.5426 12.5426 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3688 -10.3688 -10.3688 -10.3688 -9.3206 -9.3206 -9.3206 -9.3206 -9.2068 -9.2068 -9.2068 -9.2068 -7.4365 -7.4365 -7.4365 -7.4365 1.7575 1.7575 1.7575 1.7575 1.9912 1.9912 1.9912 1.9912 2.0345 2.0345 2.0345 2.0345 3.3808 3.3808 3.3808 3.3808 4.3870 4.3870 4.3870 4.3870 4.7884 4.7884 4.7884 4.7884 11.2310 11.2310 11.2310 11.2310 11.8259 11.8259 11.8259 11.8259 12.5426 12.5426 k = 0.0132 0.5000-0.0000 ( 5234 PWs) bands (ev): -27.5690 -27.5690 -27.5690 -27.5690 -16.4290 -16.4290 -16.4286 -16.4286 -10.3720 -10.3720 -10.3655 -10.3655 -9.3239 -9.3239 -9.3170 -9.3170 -9.2139 -9.2139 -9.1997 -9.1997 -7.4368 -7.4368 -7.4367 -7.4367 1.7580 1.7580 1.7584 1.7584 1.9695 1.9695 1.9901 1.9901 2.0359 2.0359 2.0560 2.0560 3.3760 3.3760 3.3839 3.3839 4.3726 4.3726 4.4004 4.4004 4.7794 4.7794 4.7973 4.7973 11.2325 11.2325 11.2340 11.2340 11.8249 11.8249 11.8259 11.8259 12.5415 12.5415 k = 0.0263 0.5000-0.0000 ( 5234 PWs) bands (ev): -27.5690 -27.5690 -27.5690 -27.5690 -16.4294 -16.4294 -16.4287 -16.4287 -10.3751 -10.3751 -10.3622 -10.3622 -9.3268 -9.3268 -9.3131 -9.3131 -9.2209 -9.2209 -9.1928 -9.1928 -7.4374 -7.4374 -7.4372 -7.4372 1.7598 1.7598 1.7605 1.7605 1.9440 1.9440 1.9683 1.9683 2.0583 2.0583 2.0815 2.0815 3.3695 3.3695 3.3851 3.3851 4.3576 4.3576 4.4129 4.4129 4.7701 4.7701 4.8057 4.8057 11.2385 11.2385 11.2416 11.2416 11.8230 11.8230 11.8251 11.8251 12.5400 12.5400 k = 0.0395 0.5000-0.0000 ( 5238 PWs) bands (ev): -27.5689 -27.5689 -27.5689 -27.5689 -16.4300 -16.4300 -16.4290 -16.4290 -10.3782 -10.3782 -10.3590 -10.3590 -9.3293 -9.3293 -9.3089 -9.3089 -9.2280 -9.2280 -9.1860 -9.1860 -7.4385 -7.4385 -7.4382 -7.4382 1.7629 1.7629 1.7639 1.7639 1.9180 1.9180 1.9435 1.9435 2.0840 2.0840 2.1077 2.1077 3.3614 3.3614 3.3845 3.3845 4.3420 4.3420 4.4241 4.4241 4.7608 4.7608 4.8136 4.8136 11.2490 11.2490 11.2536 11.2536 11.8202 11.8202 11.8235 11.8235 12.5383 12.5383 k = 0.0526 0.5000-0.0000 ( 5244 PWs) bands (ev): -27.5688 -27.5688 -27.5688 -27.5688 -16.4307 -16.4307 -16.4294 -16.4294 -10.3812 -10.3812 -10.3557 -10.3557 -9.3315 -9.3315 -9.3044 -9.3044 -9.2349 -9.2349 -9.1793 -9.1793 -7.4400 -7.4400 -7.4396 -7.4396 1.7674 1.7674 1.7683 1.7683 1.8920 1.8920 1.9186 1.9186 2.1102 2.1102 2.1341 2.1341 3.3517 3.3517 3.3821 3.3821 4.3261 4.3261 4.4339 4.4339 4.7517 4.7517 4.8210 4.8210 11.2638 11.2638 11.2698 11.2698 11.8166 11.8166 11.8210 11.8210 12.5366 12.5366 k = 0.0658 0.5000-0.0000 ( 5252 PWs) bands (ev): -27.5686 -27.5686 -27.5686 -27.5686 -16.4316 -16.4316 -16.4300 -16.4300 -10.3841 -10.3841 -10.3525 -10.3525 -9.3333 -9.3333 -9.2998 -9.2998 -9.2417 -9.2417 -9.1729 -9.1729 -7.4419 -7.4419 -7.4414 -7.4414 1.7730 1.7730 1.7733 1.7733 1.8665 1.8665 1.8944 1.8944 2.1365 2.1365 2.1603 2.1603 3.3405 3.3405 3.3779 3.3779 4.3099 4.3099 4.4422 4.4422 4.7427 4.7427 4.8277 4.8277 11.2828 11.2828 11.2900 11.2900 11.8122 11.8122 11.8178 11.8178 12.5355 12.5355 k = 0.0789 0.5000-0.0000 ( 5254 PWs) bands (ev): -27.5684 -27.5684 -27.5684 -27.5684 -16.4327 -16.4327 -16.4308 -16.4308 -10.3868 -10.3868 -10.3494 -10.3494 -9.3347 -9.3347 -9.2952 -9.2952 -9.2481 -9.2481 -9.1667 -9.1667 -7.4441 -7.4441 -7.4436 -7.4436 1.7783 1.7783 1.7795 1.7795 1.8418 1.8418 1.8718 1.8718 2.1626 2.1626 2.1863 2.1863 3.3280 3.3280 3.3720 3.3720 4.2936 4.2936 4.4488 4.4488 4.7341 4.7341 4.8336 4.8336 11.3056 11.3056 11.3140 11.3140 11.8071 11.8071 11.8138 11.8138 12.5354 12.5354 k = 0.0921 0.5000-0.0000 ( 5248 PWs) bands (ev): -27.5682 -27.5682 -27.5682 -27.5682 -16.4339 -16.4339 -16.4317 -16.4317 -10.3894 -10.3894 -10.3463 -10.3463 -9.3357 -9.3357 -9.2906 -9.2906 -9.2540 -9.2540 -9.1607 -9.1607 -7.4468 -7.4468 -7.4462 -7.4462 1.7814 1.7814 1.7851 1.7851 1.8196 1.8196 1.8529 1.8529 2.1883 2.1883 2.2119 2.2119 3.3142 3.3142 3.3643 3.3643 4.2774 4.2774 4.4537 4.4537 4.7259 4.7259 4.8388 4.8388 11.3320 11.3320 11.3415 11.3415 11.8013 11.8013 11.8092 11.8092 12.5368 12.5368 k = 0.1053 0.5000-0.0000 ( 5248 PWs) bands (ev): -27.5679 -27.5679 -27.5679 -27.5679 -16.4352 -16.4352 -16.4328 -16.4328 -10.3919 -10.3919 -10.3434 -10.3434 -9.3363 -9.3363 -9.2866 -9.2866 -9.2590 -9.2590 -9.1550 -9.1550 -7.4498 -7.4498 -7.4492 -7.4492 1.7786 1.7786 1.7805 1.7805 1.8096 1.8096 1.8416 1.8416 2.2136 2.2136 2.2370 2.2370 3.2994 3.2994 3.3549 3.3549 4.2614 4.2614 4.4568 4.4568 4.7182 4.7182 4.8430 4.8430 11.3617 11.3617 11.3720 11.3720 11.7950 11.7950 11.8041 11.8041 12.5404 12.5404 k = 0.1184 0.5000-0.0000 ( 5264 PWs) bands (ev): -27.5676 -27.5676 -27.5676 -27.5676 -16.4366 -16.4366 -16.4340 -16.4340 -10.3941 -10.3941 -10.3406 -10.3406 -9.3365 -9.3365 -9.2842 -9.2842 -9.2619 -9.2619 -9.1497 -9.1497 -7.4531 -7.4531 -7.4525 -7.4525 1.7611 1.7611 1.7669 1.7669 1.8161 1.8161 1.8408 1.8408 2.2384 2.2384 2.2616 2.2616 3.2835 3.2835 3.3440 3.3440 4.2457 4.2457 4.4580 4.4580 4.7109 4.7109 4.8462 4.8462 11.3941 11.3941 11.4051 11.4051 11.7883 11.7883 11.7985 11.7985 12.5468 12.5468 k = 0.1316 0.5000-0.0000 ( 5260 PWs) bands (ev): -27.5673 -27.5673 -27.5673 -27.5673 -16.4382 -16.4382 -16.4353 -16.4353 -10.3962 -10.3962 -10.3379 -10.3379 -9.3364 -9.3364 -9.2846 -9.2846 -9.2616 -9.2616 -9.1446 -9.1446 -7.4568 -7.4568 -7.4561 -7.4561 1.7388 1.7388 1.7491 1.7491 1.8273 1.8273 1.8479 1.8479 2.2626 2.2626 2.2857 2.2857 3.2668 3.2668 3.3317 3.3317 4.2303 4.2303 4.4574 4.4574 4.7041 4.7041 4.8485 4.8485 11.4290 11.4290 11.4405 11.4405 11.7814 11.7814 11.7926 11.7926 12.5565 12.5565 k = 0.1447 0.5000-0.0000 ( 5262 PWs) bands (ev): -27.5670 -27.5670 -27.5670 -27.5670 -16.4399 -16.4399 -16.4368 -16.4368 -10.3980 -10.3980 -10.3353 -10.3353 -9.3359 -9.3359 -9.2876 -9.2876 -9.2583 -9.2583 -9.1400 -9.1400 -7.4608 -7.4608 -7.4600 -7.4600 1.7163 1.7163 1.7289 1.7289 1.8404 1.8404 1.8591 1.8591 2.2862 2.2862 2.3090 2.3090 3.2493 3.2493 3.3181 3.3181 4.2155 4.2155 4.4551 4.4551 4.6977 4.6977 4.8496 4.8496 11.4658 11.4658 11.4777 11.4777 11.7745 11.7745 11.7865 11.7865 12.5701 12.5701 k = 0.1579 0.5000-0.0000 ( 5272 PWs) bands (ev): -27.5666 -27.5666 -27.5666 -27.5666 -16.4417 -16.4417 -16.4384 -16.4384 -10.3997 -10.3997 -10.3330 -10.3330 -9.3351 -9.3351 -9.2918 -9.2918 -9.2535 -9.2535 -9.1357 -9.1357 -7.4651 -7.4651 -7.4643 -7.4643 1.6944 1.6944 1.7080 1.7080 1.8548 1.8548 1.8727 1.8727 2.3090 2.3090 2.3316 2.3316 3.2314 3.2314 3.3033 3.3033 4.2012 4.2012 4.4513 4.4513 4.6915 4.6915 4.8497 4.8497 11.5040 11.5040 11.5160 11.5160 11.7680 11.7680 11.7807 11.7807 12.5878 12.5878 k = 0.1711 0.5000-0.0000 ( 5276 PWs) bands (ev): -27.5662 -27.5662 -27.5662 -27.5662 -16.4435 -16.4435 -16.4401 -16.4401 -10.4010 -10.4010 -10.3308 -10.3308 -9.3340 -9.3340 -9.2962 -9.2962 -9.2479 -9.2479 -9.1317 -9.1317 -7.4696 -7.4696 -7.4688 -7.4688 1.6730 1.6730 1.6872 1.6872 1.8704 1.8704 1.8879 1.8879 2.3311 2.3311 2.3534 2.3534 3.2130 3.2130 3.2875 3.2875 4.1876 4.1876 4.4462 4.4462 4.6854 4.6854 4.8485 4.8485 11.5426 11.5426 11.5548 11.5548 11.7626 11.7626 11.7755 11.7755 12.6101 12.6101 k = 0.1842 0.5000-0.0000 ( 5266 PWs) bands (ev): -27.5658 -27.5658 -27.5658 -27.5658 -16.4454 -16.4454 -16.4418 -16.4418 -10.4022 -10.4022 -10.3288 -10.3288 -9.3326 -9.3326 -9.3006 -9.3006 -9.2419 -9.2419 -9.1282 -9.1282 -7.4744 -7.4744 -7.4736 -7.4736 1.6523 1.6523 1.6668 1.6668 1.8869 1.8869 1.9043 1.9043 2.3523 2.3523 2.3743 2.3743 3.1944 3.1944 3.2709 3.2709 4.1746 4.1746 4.4399 4.4399 4.6791 4.6791 4.8462 4.8462 11.5805 11.5805 11.5932 11.5932 11.7594 11.7594 11.7719 11.7719 12.6370 12.6370 k = 0.1974 0.5000-0.0000 ( 5266 PWs) bands (ev): -27.5654 -27.5654 -27.5654 -27.5654 -16.4474 -16.4474 -16.4437 -16.4437 -10.4031 -10.4031 -10.3271 -10.3271 -9.3309 -9.3309 -9.3048 -9.3048 -9.2357 -9.2357 -9.1250 -9.1250 -7.4794 -7.4794 -7.4785 -7.4785 1.6325 1.6325 1.6469 1.6469 1.9042 1.9042 1.9217 1.9217 2.3726 2.3726 2.3943 2.3943 3.1757 3.1757 3.2537 3.2537 4.1625 4.1625 4.4327 4.4327 4.6726 4.6726 4.8427 4.8427 11.6155 11.6155 11.6292 11.6292 11.7606 11.7606 11.7717 11.7717 12.6686 12.6686 k = 0.2105 0.5000-0.0000 ( 5258 PWs) bands (ev): -27.5650 -27.5650 -27.5650 -27.5650 -16.4494 -16.4494 -16.4456 -16.4456 -10.4037 -10.4037 -10.3256 -10.3256 -9.3290 -9.3290 -9.3087 -9.3087 -9.2294 -9.2294 -9.1222 -9.1222 -7.4845 -7.4845 -7.4837 -7.4837 1.6134 1.6134 1.6276 1.6276 1.9223 1.9223 1.9398 1.9398 2.3920 2.3920 2.4133 2.4133 3.1571 3.1571 3.2360 3.2360 4.1512 4.1512 4.4248 4.4248 4.6657 4.6657 4.8379 4.8379 11.6438 11.6438 11.6597 11.6597 11.7700 11.7700 11.7781 11.7781 12.7046 12.7046 k = 0.2237 0.5000-0.0000 ( 5262 PWs) bands (ev): -27.5645 -27.5645 -27.5645 -27.5645 -16.4515 -16.4515 -16.4476 -16.4476 -10.4040 -10.4040 -10.3243 -10.3243 -9.3270 -9.3270 -9.3123 -9.3123 -9.2231 -9.2231 -9.1198 -9.1198 -7.4898 -7.4898 -7.4890 -7.4890 1.5952 1.5952 1.6091 1.6091 1.9409 1.9409 1.9586 1.9586 2.4104 2.4104 2.4313 2.4313 3.1388 3.1388 3.2180 3.2180 4.1408 4.1408 4.4165 4.4165 4.6582 4.6582 4.8319 4.8319 11.6616 11.6616 11.6801 11.6801 11.7913 11.7913 11.7956 11.7956 12.7449 12.7449 k = 0.2368 0.5000-0.0000 ( 5266 PWs) bands (ev): -27.5641 -27.5641 -27.5641 -27.5641 -16.4536 -16.4536 -16.4497 -16.4497 -10.4041 -10.4041 -10.3233 -10.3233 -9.3248 -9.3248 -9.3155 -9.3155 -9.2167 -9.2167 -9.1177 -9.1177 -7.4952 -7.4952 -7.4944 -7.4944 1.5778 1.5778 1.5914 1.5914 1.9600 1.9600 1.9778 1.9778 2.4278 2.4278 2.4483 2.4483 3.1209 3.1209 3.2000 3.2000 4.1313 4.1313 4.4078 4.4078 4.6501 4.6501 4.8246 4.8246 11.6696 11.6696 11.6897 11.6897 11.8241 11.8241 11.8253 11.8253 12.7891 12.7891 k = 0.2500 0.5000-0.0000 ( 5268 PWs) bands (ev): -27.5637 -27.5637 -27.5636 -27.5636 -16.4556 -16.4556 -16.4517 -16.4517 -10.4039 -10.4039 -10.3226 -10.3226 -9.3225 -9.3225 -9.3183 -9.3183 -9.2104 -9.2104 -9.1160 -9.1160 -7.5007 -7.5007 -7.5000 -7.5000 1.5613 1.5613 1.5745 1.5745 1.9795 1.9795 1.9973 1.9973 2.4442 2.4442 2.4642 2.4642 3.1035 3.1035 3.1820 3.1820 4.1229 4.1229 4.3989 4.3989 4.6413 4.6413 4.8161 4.8161 11.6718 11.6718 11.6924 11.6924 11.8633 11.8633 11.8644 11.8644 12.8366 12.8366 k = 0.2632 0.5000-0.0000 ( 5274 PWs) bands (ev): -27.5632 -27.5632 -27.5632 -27.5632 -16.4577 -16.4577 -16.4538 -16.4538 -10.4034 -10.4034 -10.3222 -10.3222 -9.3207 -9.3207 -9.3201 -9.3201 -9.2042 -9.2042 -9.1146 -9.1146 -7.5062 -7.5062 -7.5055 -7.5055 1.5457 1.5457 1.5584 1.5584 1.9991 1.9991 2.0169 2.0169 2.4596 2.4596 2.4791 2.4791 3.0868 3.0868 3.1643 3.1643 4.1154 4.1154 4.3900 4.3900 4.6318 4.6318 4.8065 4.8065 11.6713 11.6713 11.6921 11.6921 11.9061 11.9061 11.9092 11.9092 12.8870 12.8870 k = 0.2763 0.5000-0.0000 ( 5270 PWs) bands (ev): -27.5628 -27.5628 -27.5628 -27.5628 -16.4597 -16.4597 -16.4559 -16.4559 -10.4026 -10.4026 -10.3220 -10.3220 -9.3226 -9.3226 -9.3177 -9.3177 -9.1980 -9.1980 -9.1136 -9.1136 -7.5118 -7.5118 -7.5111 -7.5111 1.5311 1.5311 1.5432 1.5432 2.0188 2.0188 2.0365 2.0365 2.4739 2.4739 2.4928 2.4928 3.0709 3.0709 3.1470 3.1470 4.1091 4.1091 4.3811 4.3811 4.6216 4.6216 4.7957 4.7957 11.6701 11.6701 11.6906 11.6906 11.9517 11.9517 11.9569 11.9569 12.9398 12.9398 k = 0.2895 0.5000-0.0000 ( 5274 PWs) bands (ev): -27.5623 -27.5623 -27.5623 -27.5623 -16.4617 -16.4617 -16.4579 -16.4579 -10.4016 -10.4016 -10.3222 -10.3222 -9.3242 -9.3242 -9.3153 -9.3153 -9.1920 -9.1920 -9.1128 -9.1128 -7.5173 -7.5173 -7.5166 -7.5166 1.5173 1.5173 1.5288 1.5288 2.0383 2.0383 2.0559 2.0559 2.4872 2.4872 2.5055 2.5055 3.0559 3.0559 3.1302 3.1302 4.1038 4.1038 4.3723 4.3723 4.6108 4.6108 4.7838 4.7838 11.6688 11.6688 11.6889 11.6889 11.9994 11.9994 12.0065 12.0065 12.9943 12.9943 k = 0.3026 0.5000-0.0000 ( 5270 PWs) bands (ev): -27.5619 -27.5619 -27.5619 -27.5619 -16.4636 -16.4636 -16.4600 -16.4600 -10.4003 -10.4003 -10.3226 -10.3226 -9.3253 -9.3253 -9.3131 -9.3131 -9.1861 -9.1861 -9.1124 -9.1124 -7.5227 -7.5227 -7.5221 -7.5221 1.5044 1.5044 1.5154 1.5154 2.0576 2.0576 2.0750 2.0750 2.4995 2.4995 2.5171 2.5171 3.0420 3.0420 3.1141 3.1141 4.0998 4.0998 4.3636 4.3636 4.5996 4.5996 4.7709 4.7709 11.6680 11.6680 11.6875 11.6875 12.0488 12.0488 12.0578 12.0578 13.0500 13.0500 k = 0.3158 0.5000-0.0000 ( 5270 PWs) bands (ev): -27.5615 -27.5615 -27.5615 -27.5615 -16.4655 -16.4655 -16.4620 -16.4620 -10.3987 -10.3987 -10.3233 -10.3233 -9.3261 -9.3261 -9.3109 -9.3109 -9.1804 -9.1804 -9.1121 -9.1121 -7.5280 -7.5280 -7.5275 -7.5275 1.4925 1.4925 1.5028 1.5028 2.0764 2.0764 2.0935 2.0935 2.5108 2.5108 2.5277 2.5277 3.0292 3.0292 3.0987 3.0987 4.0970 4.0970 4.3550 4.3550 4.5880 4.5880 4.7570 4.7570 11.6678 11.6678 11.6867 11.6867 12.0995 12.0995 12.1104 12.1104 13.1064 13.1064 k = 0.3289 0.5000-0.0000 ( 5278 PWs) bands (ev): -27.5611 -27.5611 -27.5611 -27.5611 -16.4673 -16.4673 -16.4639 -16.4639 -10.3969 -10.3969 -10.3243 -10.3243 -9.3264 -9.3264 -9.3089 -9.3089 -9.1749 -9.1749 -9.1121 -9.1121 -7.5332 -7.5332 -7.5327 -7.5327 1.4814 1.4814 1.4911 1.4911 2.0947 2.0947 2.1113 2.1113 2.5212 2.5212 2.5373 2.5373 3.0176 3.0176 3.0841 3.0841 4.0955 4.0955 4.3465 4.3465 4.5764 4.5764 4.7424 4.7424 11.6683 11.6683 11.6864 11.6864 12.1515 12.1515 12.1641 12.1641 13.1628 13.1628 k = 0.3421 0.5000-0.0000 ( 5282 PWs) bands (ev): -27.5607 -27.5607 -27.5607 -27.5607 -16.4690 -16.4690 -16.4658 -16.4658 -10.3949 -10.3949 -10.3256 -10.3256 -9.3264 -9.3264 -9.3072 -9.3072 -9.1696 -9.1696 -9.1123 -9.1123 -7.5381 -7.5381 -7.5377 -7.5377 1.4713 1.4713 1.4802 1.4802 2.1122 2.1122 2.1282 2.1282 2.5308 2.5308 2.5459 2.5459 3.0073 3.0073 3.0704 3.0704 4.0953 4.0953 4.3380 4.3380 4.5650 4.5650 4.7271 4.7271 11.6696 11.6696 11.6868 11.6868 12.2044 12.2044 12.2187 12.2187 13.2190 13.2190 k = 0.3553 0.5000-0.0000 ( 5278 PWs) bands (ev): -27.5603 -27.5603 -27.5603 -27.5603 -16.4706 -16.4706 -16.4675 -16.4675 -10.3926 -10.3926 -10.3271 -10.3271 -9.3261 -9.3261 -9.3056 -9.3056 -9.1645 -9.1645 -9.1127 -9.1127 -7.5429 -7.5429 -7.5425 -7.5425 1.4620 1.4620 1.4703 1.4703 2.1288 2.1288 2.1442 2.1442 2.5395 2.5395 2.5537 2.5537 2.9981 2.9981 3.0576 3.0576 4.0965 4.0965 4.3292 4.3292 4.5541 4.5541 4.7112 4.7112 11.6715 11.6715 11.6878 11.6878 12.2581 12.2581 12.2739 12.2739 13.2745 13.2748 k = 0.3684 0.5000-0.0000 ( 5278 PWs) bands (ev): -27.5600 -27.5600 -27.5600 -27.5600 -16.4721 -16.4721 -16.4692 -16.4692 -10.3901 -10.3901 -10.3289 -10.3289 -9.3254 -9.3254 -9.3044 -9.3044 -9.1596 -9.1596 -9.1132 -9.1132 -7.5474 -7.5474 -7.5470 -7.5470 1.4536 1.4536 1.4612 1.4612 2.1444 2.1444 2.1589 2.1589 2.5475 2.5475 2.5606 2.5606 2.9903 2.9903 3.0457 3.0457 4.0990 4.0990 4.3202 4.3202 4.5440 4.5440 4.6948 4.6948 11.6741 11.6741 11.6893 11.6893 12.3121 12.3121 12.3293 12.3293 13.3279 13.3279 k = 0.3816 0.5000-0.0000 ( 5286 PWs) bands (ev): -27.5597 -27.5597 -27.5597 -27.5597 -16.4734 -16.4734 -16.4708 -16.4708 -10.3874 -10.3874 -10.3310 -10.3310 -9.3245 -9.3245 -9.3035 -9.3035 -9.1550 -9.1550 -9.1139 -9.1139 -7.5515 -7.5515 -7.5513 -7.5513 1.4461 1.4461 1.4529 1.4529 2.1589 2.1589 2.1723 2.1723 2.5548 2.5548 2.5667 2.5667 2.9836 2.9836 3.0347 3.0347 4.1029 4.1029 4.3106 4.3106 4.5351 4.5351 4.6782 4.6782 11.6771 11.6771 11.6911 11.6911 12.3662 12.3662 12.3843 12.3843 13.3794 13.3794 k = 0.3947 0.5000-0.0000 ( 5288 PWs) bands (ev): -27.5594 -27.5594 -27.5594 -27.5594 -16.4746 -16.4746 -16.4723 -16.4723 -10.3845 -10.3845 -10.3333 -10.3333 -9.3233 -9.3233 -9.3029 -9.3029 -9.1507 -9.1507 -9.1147 -9.1147 -7.5554 -7.5554 -7.5552 -7.5552 1.4395 1.4395 1.4456 1.4456 2.1721 2.1721 2.1844 2.1844 2.5614 2.5614 2.5721 2.5721 2.9782 2.9782 3.0246 3.0246 4.1082 4.1082 4.3003 4.3003 4.5279 4.5279 4.6615 4.6615 11.6805 11.6805 11.6933 11.6933 12.4196 12.4196 12.4385 12.4385 13.4288 13.4288 k = 0.4079 0.5000-0.0000 ( 5292 PWs) bands (ev): -27.5591 -27.5591 -27.5591 -27.5591 -16.4757 -16.4757 -16.4736 -16.4736 -10.3815 -10.3815 -10.3358 -10.3358 -9.3218 -9.3218 -9.3026 -9.3026 -9.1467 -9.1467 -9.1156 -9.1156 -7.5589 -7.5589 -7.5587 -7.5587 1.4337 1.4337 1.4390 1.4390 2.1839 2.1839 2.1950 2.1950 2.5673 2.5673 2.5768 2.5768 2.9740 2.9740 3.0154 3.0154 4.1149 4.1149 4.2892 4.2892 4.5225 4.5225 4.6448 4.6448 11.6841 11.6841 11.6955 11.6955 12.4718 12.4718 12.4909 12.4909 13.4757 13.4757 k = 0.4211 0.5000-0.0000 ( 5280 PWs) bands (ev): -27.5589 -27.5589 -27.5589 -27.5589 -16.4766 -16.4766 -16.4748 -16.4748 -10.3783 -10.3783 -10.3385 -10.3385 -9.3202 -9.3202 -9.3026 -9.3026 -9.1429 -9.1429 -9.1166 -9.1166 -7.5619 -7.5619 -7.5618 -7.5618 1.4288 1.4288 1.4333 1.4333 2.1944 2.1944 2.2041 2.2041 2.5727 2.5727 2.5809 2.5809 2.9709 2.9709 3.0070 3.0070 4.1228 4.1228 4.2772 4.2772 4.5192 4.5192 4.6284 4.6284 11.6878 11.6878 11.6977 11.6977 12.5218 12.5218 12.5406 12.5406 13.5197 13.5197 k = 0.4342 0.5000-0.0000 ( 5284 PWs) bands (ev): -27.5587 -27.5587 -27.5587 -27.5587 -16.4774 -16.4774 -16.4759 -16.4759 -10.3750 -10.3750 -10.3414 -10.3414 -9.3184 -9.3184 -9.3030 -9.3030 -9.1394 -9.1394 -9.1178 -9.1178 -7.5646 -7.5646 -7.5645 -7.5645 1.4247 1.4247 1.4285 1.4285 2.2034 2.2034 2.2116 2.2116 2.5774 2.5774 2.5842 2.5842 2.9689 2.9689 2.9994 2.9994 4.1321 4.1321 4.2645 4.2645 4.5182 4.5182 4.6124 4.6124 11.6913 11.6913 11.6997 11.6997 12.5686 12.5686 12.5863 12.5863 13.5603 13.5603 k = 0.4474 0.5000-0.0000 ( 5284 PWs) bands (ev): -27.5585 -27.5585 -27.5585 -27.5585 -16.4780 -16.4780 -16.4768 -16.4768 -10.3716 -10.3716 -10.3444 -10.3444 -9.3166 -9.3166 -9.3037 -9.3037 -9.1362 -9.1362 -9.1191 -9.1191 -7.5668 -7.5668 -7.5667 -7.5667 1.4214 1.4214 1.4245 1.4245 2.2109 2.2109 2.2176 2.2176 2.5814 2.5814 2.5869 2.5869 2.9679 2.9679 2.9927 2.9927 4.1426 4.1426 4.2509 4.2509 4.5194 4.5194 4.5970 4.5970 11.6946 11.6946 11.7014 11.7014 12.6107 12.6107 12.6266 12.6266 13.5970 13.5970 k = 0.4605 0.5000-0.0000 ( 5292 PWs) bands (ev): -27.5584 -27.5584 -27.5584 -27.5584 -16.4785 -16.4785 -16.4775 -16.4775 -10.3682 -10.3682 -10.3476 -10.3476 -9.3147 -9.3147 -9.3047 -9.3047 -9.1333 -9.1333 -9.1206 -9.1206 -7.5685 -7.5685 -7.5684 -7.5684 1.4189 1.4189 1.4212 1.4212 2.2169 2.2169 2.2220 2.2220 2.5847 2.5847 2.5888 2.5888 2.9679 2.9679 2.9867 2.9867 4.1541 4.1541 4.2369 4.2369 4.5229 4.5229 4.5824 4.5824 11.6975 11.6975 11.7026 11.7026 12.6468 12.6468 12.6599 12.6599 13.6293 13.6294 k = 0.4737 0.5000-0.0000 ( 5296 PWs) bands (ev): -27.5583 -27.5583 -27.5583 -27.5583 -16.4787 -16.4787 -16.4781 -16.4781 -10.3647 -10.3647 -10.3509 -10.3509 -9.3128 -9.3128 -9.3060 -9.3060 -9.1306 -9.1306 -9.1222 -9.1222 -7.5698 -7.5698 -7.5697 -7.5697 1.4173 1.4173 1.4188 1.4188 2.2215 2.2215 2.2249 2.2249 2.5873 2.5873 2.5900 2.5900 2.9689 2.9689 2.9815 2.9815 4.1666 4.1666 4.2225 4.2225 4.5285 4.5285 4.5688 4.5688 11.6999 11.6999 11.7034 11.7034 12.6750 12.6750 12.6844 12.6844 13.6570 13.6570 k = 0.4868 0.5000-0.0000 ( 5292 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4785 -16.4785 -10.3612 -10.3612 -10.3543 -10.3543 -9.3109 -9.3109 -9.3074 -9.3074 -9.1282 -9.1282 -9.1240 -9.1240 -7.5705 -7.5705 -7.5705 -7.5705 1.4165 1.4165 1.4172 1.4172 2.2246 2.2246 2.2263 2.2263 2.5892 2.5892 2.5905 2.5905 2.9708 2.9708 2.9771 2.9771 4.1799 4.1799 4.2080 4.2080 4.5361 4.5361 4.5565 4.5565 11.7018 11.7018 11.7035 11.7035 12.6938 12.6938 12.6987 12.6987 13.6800 13.6800 k = 0.5000 0.5000-0.0000 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3577 -10.3577 -10.3577 -10.3577 -9.3091 -9.3091 -9.3091 -9.3091 -9.1260 -9.1260 -9.1260 -9.1260 -7.5707 -7.5707 -7.5707 -7.5707 1.4164 1.4164 1.4164 1.4164 2.2262 2.2262 2.2262 2.2262 2.5902 2.5902 2.5902 2.5902 2.9735 2.9735 2.9735 2.9735 4.1937 4.1937 4.1937 4.1937 4.5455 4.5455 4.5455 4.5455 11.7030 11.7030 11.7030 11.7030 12.7019 12.7019 12.7019 12.7019 13.6961 13.6961 k = 0.5000 0.5000-0.0000 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3577 -10.3577 -10.3577 -10.3577 -9.3091 -9.3091 -9.3091 -9.3091 -9.1260 -9.1260 -9.1260 -9.1260 -7.5707 -7.5707 -7.5707 -7.5707 1.4164 1.4164 1.4164 1.4164 2.2262 2.2262 2.2262 2.2262 2.5902 2.5902 2.5902 2.5902 2.9735 2.9735 2.9735 2.9735 4.1937 4.1937 4.1937 4.1937 4.5455 4.5455 4.5455 4.5455 11.7030 11.7030 11.7030 11.7030 12.7019 12.7019 12.7019 12.7019 13.6961 13.6961 k = 0.4906 0.4906-0.0000 ( 5288 PWs) bands (ev): -27.5583 -27.5583 -27.5582 -27.5582 -16.4789 -16.4789 -16.4785 -16.4785 -10.3613 -10.3613 -10.3542 -10.3542 -9.3109 -9.3109 -9.3074 -9.3074 -9.1282 -9.1282 -9.1239 -9.1239 -7.5707 -7.5707 -7.5703 -7.5703 1.4163 1.4163 1.4174 1.4174 2.2246 2.2246 2.2263 2.2263 2.5888 2.5888 2.5908 2.5908 2.9707 2.9707 2.9772 2.9772 4.1796 4.1796 4.2083 4.2083 4.5360 4.5360 4.5567 4.5567 11.7015 11.7015 11.7037 11.7037 12.6893 12.6893 12.7030 12.7030 13.6747 13.6747 k = 0.4811 0.4811-0.0000 ( 5300 PWs) bands (ev): -27.5584 -27.5584 -27.5582 -27.5582 -16.4790 -16.4790 -16.4778 -16.4778 -10.3649 -10.3649 -10.3508 -10.3508 -9.3129 -9.3129 -9.3058 -9.3058 -9.1307 -9.1307 -9.1221 -9.1221 -7.5705 -7.5705 -7.5689 -7.5689 1.4162 1.4162 1.4200 1.4200 2.2214 2.2214 2.2249 2.2249 2.5855 2.5855 2.5917 2.5917 2.9687 2.9687 2.9818 2.9818 4.1659 4.1659 4.2232 4.2232 4.5282 4.5282 4.5694 4.5694 11.6984 11.6984 11.7047 11.7047 12.6547 12.6547 12.7048 12.7048 13.6374 13.6374 k = 0.4717 0.4717-0.0000 ( 5292 PWs) bands (ev): -27.5586 -27.5586 -27.5582 -27.5582 -16.4792 -16.4792 -16.4767 -16.4767 -10.3685 -10.3685 -10.3474 -10.3474 -9.3152 -9.3152 -9.3042 -9.3042 -9.1334 -9.1334 -9.1205 -9.1205 -7.5702 -7.5702 -7.5666 -7.5666 1.4161 1.4161 1.4242 1.4242 2.2166 2.2166 2.2221 2.2221 2.5801 2.5801 2.5932 2.5932 2.9673 2.9673 2.9875 2.9875 4.1526 4.1526 4.2386 4.2386 4.5221 4.5221 4.5835 4.5835 11.6935 11.6935 11.7063 11.7063 12.6022 12.6022 12.7077 12.7077 13.5940 13.5940 k = 0.4623 0.4623-0.0000 ( 5284 PWs) bands (ev): -27.5588 -27.5588 -27.5582 -27.5582 -16.4795 -16.4795 -16.4752 -16.4752 -10.3721 -10.3721 -10.3440 -10.3440 -9.3178 -9.3178 -9.3026 -9.3026 -9.1363 -9.1363 -9.1190 -9.1190 -7.5699 -7.5699 -7.5635 -7.5635 1.4160 1.4160 1.4302 1.4302 2.2103 2.2103 2.2179 2.2179 2.5726 2.5726 2.5951 2.5951 2.9667 2.9667 2.9944 2.9944 4.1397 4.1397 4.2545 4.2545 4.5177 4.5177 4.5989 4.5989 11.6868 11.6868 11.7084 11.7084 12.5370 12.5370 12.7117 12.7117 13.5473 13.5473 k = 0.4528 0.4528-0.0000 ( 5280 PWs) bands (ev): -27.5591 -27.5591 -27.5582 -27.5582 -16.4799 -16.4799 -16.4732 -16.4732 -10.3757 -10.3757 -10.3407 -10.3407 -9.3206 -9.3206 -9.3010 -9.3010 -9.1395 -9.1395 -9.1177 -9.1177 -7.5695 -7.5695 -7.5595 -7.5595 1.4159 1.4159 1.4377 1.4377 2.2025 2.2025 2.2125 2.2125 2.5630 2.5630 2.5975 2.5975 2.9666 2.9666 3.0024 3.0024 4.1272 4.1272 4.2707 4.2707 4.5150 4.5150 4.6153 4.6153 11.6785 11.6785 11.7109 11.7109 12.4639 12.4639 12.7168 12.7168 13.4984 13.4984 k = 0.4434 0.4434-0.0000 ( 5278 PWs) bands (ev): -27.5595 -27.5595 -27.5583 -27.5583 -16.4804 -16.4804 -16.4708 -16.4708 -10.3793 -10.3793 -10.3375 -10.3375 -9.3238 -9.3238 -9.2993 -9.2993 -9.1429 -9.1429 -9.1165 -9.1165 -7.5690 -7.5690 -7.5548 -7.5548 1.4159 1.4159 1.4470 1.4470 2.1931 2.1931 2.2060 2.2060 2.5516 2.5516 2.6002 2.6002 2.9674 2.9674 3.0116 3.0116 4.1153 4.1153 4.2873 4.2873 4.5139 4.5139 4.6327 4.6327 11.6686 11.6686 11.7136 11.7136 12.3866 12.3866 12.7230 12.7230 13.4476 13.4476 k = 0.4340 0.4340-0.0000 ( 5282 PWs) bands (ev): -27.5600 -27.5600 -27.5583 -27.5583 -16.4809 -16.4809 -16.4680 -16.4680 -10.3829 -10.3829 -10.3343 -10.3343 -9.3273 -9.3273 -9.2974 -9.2974 -9.1465 -9.1465 -9.1153 -9.1153 -7.5686 -7.5686 -7.5493 -7.5493 1.4159 1.4159 1.4578 1.4578 2.1822 2.1822 2.1984 2.1984 2.5383 2.5383 2.6032 2.6032 2.9689 2.9689 3.0221 3.0221 4.1039 4.1039 4.3040 4.3040 4.5143 4.5143 4.6509 4.6509 11.6574 11.6574 11.7166 11.7166 12.3081 12.3081 12.7302 12.7302 13.3952 13.3952 k = 0.4245 0.4245-0.0000 ( 5278 PWs) bands (ev): -27.5605 -27.5605 -27.5583 -27.5583 -16.4815 -16.4815 -16.4648 -16.4648 -10.3865 -10.3865 -10.3312 -10.3312 -9.3311 -9.3311 -9.2955 -9.2955 -9.1504 -9.1504 -9.1142 -9.1142 -7.5682 -7.5682 -7.5432 -7.5432 1.4160 1.4160 1.4703 1.4703 2.1697 2.1697 2.1900 2.1900 2.5234 2.5234 2.6064 2.6064 2.9714 2.9714 3.0338 3.0338 4.0932 4.0932 4.3208 4.3208 4.5162 4.5162 4.6695 4.6695 11.6451 11.6451 11.7196 11.7196 12.2306 12.2306 12.7383 12.7383 13.3415 13.3415 k = 0.4151 0.4151-0.0000 ( 5274 PWs) bands (ev): -27.5612 -27.5612 -27.5583 -27.5583 -16.4822 -16.4822 -16.4612 -16.4612 -10.3901 -10.3901 -10.3282 -10.3282 -9.3352 -9.3352 -9.2935 -9.2935 -9.1544 -9.1544 -9.1131 -9.1131 -7.5680 -7.5680 -7.5365 -7.5365 1.4162 1.4162 1.4843 1.4843 2.1559 2.1559 2.1808 2.1808 2.5068 2.5068 2.6097 2.6097 2.9750 2.9750 3.0467 3.0467 4.0832 4.0832 4.3374 4.3374 4.5194 4.5194 4.6886 4.6886 11.6318 11.6318 11.7225 11.7225 12.1556 12.1556 12.7473 12.7473 13.2867 13.2867 k = 0.4057 0.4057-0.0000 ( 5272 PWs) bands (ev): -27.5618 -27.5618 -27.5583 -27.5583 -16.4830 -16.4830 -16.4572 -16.4572 -10.3936 -10.3936 -10.3253 -10.3253 -9.3395 -9.3395 -9.2913 -9.2913 -9.1585 -9.1585 -9.1120 -9.1120 -7.5679 -7.5679 -7.5293 -7.5293 1.4166 1.4166 1.4999 1.4999 2.1406 2.1406 2.1711 2.1711 2.4887 2.4887 2.6130 2.6130 2.9798 2.9798 3.0609 3.0609 4.0739 4.0739 4.3536 4.3536 4.5240 4.5240 4.7080 4.7080 11.6175 11.6175 11.7250 11.7250 12.0847 12.0847 12.7571 12.7571 13.2309 13.2309 k = 0.3962 0.3962-0.0000 ( 5272 PWs) bands (ev): -27.5625 -27.5625 -27.5584 -27.5584 -16.4838 -16.4838 -16.4529 -16.4529 -10.3971 -10.3971 -10.3225 -10.3225 -9.3441 -9.3441 -9.2890 -9.2890 -9.1628 -9.1628 -9.1108 -9.1108 -7.5680 -7.5680 -7.5218 -7.5218 1.4172 1.4172 1.5169 1.5169 2.1241 2.1241 2.1608 2.1608 2.4691 2.4691 2.6163 2.6163 2.9860 2.9860 3.0762 3.0762 4.0655 4.0655 4.3692 4.3692 4.5298 4.5298 4.7274 4.7274 11.6026 11.6026 11.7271 11.7271 12.0187 12.0187 12.7675 12.7675 13.1744 13.1744 k = 0.3868 0.3868-0.0000 ( 5268 PWs) bands (ev): -27.5633 -27.5633 -27.5584 -27.5584 -16.4847 -16.4847 -16.4481 -16.4481 -10.4005 -10.4005 -10.3197 -10.3197 -9.3488 -9.3488 -9.2866 -9.2866 -9.1672 -9.1672 -9.1096 -9.1096 -7.5683 -7.5683 -7.5139 -7.5139 1.4180 1.4180 1.5354 1.5354 2.1063 2.1063 2.1501 2.1501 2.4483 2.4483 2.6194 2.6194 2.9937 2.9937 3.0927 3.0927 4.0579 4.0579 4.3839 4.3839 4.5369 4.5369 4.7469 4.7469 11.5869 11.5869 11.7285 11.7285 11.9586 11.9586 12.7783 12.7783 13.1172 13.1172 k = 0.3774 0.3774-0.0000 ( 5272 PWs) bands (ev): -27.5642 -27.5642 -27.5584 -27.5584 -16.4857 -16.4857 -16.4431 -16.4431 -10.4039 -10.4039 -10.3171 -10.3171 -9.3536 -9.3536 -9.2842 -9.2842 -9.1716 -9.1716 -9.1084 -9.1084 -7.5690 -7.5690 -7.5058 -7.5058 1.4191 1.4191 1.5553 1.5553 2.0874 2.0874 2.1390 2.1390 2.4263 2.4263 2.6224 2.6224 3.0030 3.0030 3.1103 3.1103 4.0511 4.0511 4.3975 4.3975 4.5450 4.5450 4.7662 4.7662 11.5706 11.5706 11.7291 11.7291 11.9051 11.9051 12.7894 12.7894 13.0597 13.0597 k = 0.3679 0.3679-0.0000 ( 5272 PWs) bands (ev): -27.5651 -27.5651 -27.5584 -27.5584 -16.4867 -16.4867 -16.4377 -16.4377 -10.4071 -10.4071 -10.3145 -10.3145 -9.3586 -9.3586 -9.2817 -9.2817 -9.1760 -9.1760 -9.1071 -9.1071 -7.5700 -7.5700 -7.4975 -7.4975 1.4205 1.4205 1.5766 1.5766 2.0676 2.0676 2.1278 2.1278 2.4031 2.4031 2.6252 2.6252 3.0141 3.0141 3.1291 3.1291 4.0452 4.0452 4.4096 4.4096 4.5544 4.5544 4.7854 4.7854 11.5537 11.5537 11.7287 11.7287 11.8588 11.8588 12.8002 12.8002 13.0020 13.0020 k = 0.3585 0.3585-0.0000 ( 5280 PWs) bands (ev): -27.5660 -27.5660 -27.5585 -27.5585 -16.4878 -16.4878 -16.4320 -16.4320 -10.4102 -10.4102 -10.3121 -10.3121 -9.3635 -9.3635 -9.2792 -9.2792 -9.1805 -9.1805 -9.1057 -9.1057 -7.5713 -7.5713 -7.4892 -7.4892 1.4223 1.4223 1.5992 1.5992 2.0468 2.0468 2.1164 2.1164 2.3790 2.3790 2.6277 2.6277 3.0270 3.0270 3.1491 3.1491 4.0401 4.0401 4.4202 4.4202 4.5647 4.5647 4.8043 4.8043 11.5363 11.5363 11.7273 11.7273 11.8201 11.8201 12.8101 12.8101 12.9444 12.9444 k = 0.3491 0.3491-0.0000 ( 5276 PWs) bands (ev): -27.5670 -27.5670 -27.5585 -27.5585 -16.4889 -16.4889 -16.4260 -16.4260 -10.4132 -10.4132 -10.3098 -10.3098 -9.3684 -9.3684 -9.2766 -9.2766 -9.1848 -9.1848 -9.1042 -9.1042 -7.5731 -7.5731 -7.4810 -7.4810 1.4245 1.4245 1.6229 1.6229 2.0254 2.0254 2.1050 2.1050 2.3540 2.3540 2.6299 2.6299 3.0417 3.0417 3.1702 3.1702 4.0358 4.0358 4.4290 4.4290 4.5760 4.5760 4.8230 4.8230 11.5188 11.5188 11.7247 11.7247 11.7891 11.7891 12.8179 12.8179 12.8876 12.8876 k = 0.3396 0.3396-0.0000 ( 5275 PWs) bands (ev): -27.5681 -27.5681 -27.5585 -27.5585 -16.4901 -16.4901 -16.4197 -16.4197 -10.4161 -10.4161 -10.3076 -10.3076 -9.3732 -9.3732 -9.2741 -9.2741 -9.1890 -9.1890 -9.1027 -9.1027 -7.5754 -7.5754 -7.4729 -7.4729 1.4271 1.4271 1.6479 1.6479 2.0033 2.0033 2.0935 2.0935 2.3281 2.3281 2.6318 2.6318 3.0584 3.0584 3.1925 3.1925 4.0322 4.0322 4.4360 4.4360 4.5882 4.5882 4.8412 4.8412 11.5015 11.5015 11.7208 11.7208 11.7657 11.7657 12.8155 12.8155 12.8383 12.8383 k = 0.3302 0.3302-0.0000 ( 5271 PWs) bands (ev): -27.5691 -27.5691 -27.5586 -27.5586 -16.4913 -16.4913 -16.4131 -16.4131 -10.4188 -10.4188 -10.3055 -10.3055 -9.3778 -9.3778 -9.2717 -9.2717 -9.1931 -9.1931 -9.1011 -9.1011 -7.5782 -7.5782 -7.4650 -7.4650 1.4301 1.4301 1.6739 1.6739 1.9808 1.9808 2.0821 2.0821 2.3016 2.3016 2.6333 2.6333 3.0770 3.0770 3.2159 3.2159 4.0293 4.0293 4.4412 4.4412 4.6011 4.6011 4.8591 4.8591 11.4848 11.4848 11.7157 11.7157 11.7494 11.7494 12.7693 12.7693 12.8281 12.8281 k = 0.3208 0.3208-0.0000 ( 5267 PWs) bands (ev): -27.5703 -27.5703 -27.5586 -27.5586 -16.4925 -16.4925 -16.4064 -16.4064 -10.4213 -10.4213 -10.3036 -10.3036 -9.3822 -9.3822 -9.2695 -9.2695 -9.1969 -9.1969 -9.0994 -9.0994 -7.5814 -7.5814 -7.4574 -7.4574 1.4336 1.4336 1.7010 1.7010 1.9579 1.9579 2.0708 2.0708 2.2745 2.2745 2.6344 2.6344 3.0974 3.0974 3.2404 3.2404 4.0271 4.0271 4.4445 4.4445 4.6147 4.6147 4.8765 4.8765 11.4692 11.4692 11.7094 11.7094 11.7400 11.7400 12.7144 12.7144 12.8181 12.8181 k = 0.3113 0.3113-0.0000 ( 5279 PWs) bands (ev): -27.5714 -27.5714 -27.5587 -27.5587 -16.4938 -16.4938 -16.3994 -16.3994 -10.4236 -10.4236 -10.3018 -10.3018 -9.3864 -9.3864 -9.2674 -9.2674 -9.2004 -9.2004 -9.0978 -9.0978 -7.5852 -7.5852 -7.4502 -7.4502 1.4376 1.4376 1.7289 1.7289 1.9349 1.9349 2.0596 2.0596 2.2469 2.2469 2.6352 2.6352 3.1196 3.1196 3.2661 3.2661 4.0253 4.0253 4.4461 4.4461 4.6287 4.6287 4.8935 4.8935 11.4550 11.4550 11.7018 11.7018 11.7368 11.7368 12.6599 12.6599 12.7941 12.7941 k = 0.3019 0.3019-0.0000 ( 5275 PWs) bands (ev): -27.5726 -27.5726 -27.5587 -27.5587 -16.4951 -16.4951 -16.3922 -16.3922 -10.4257 -10.4257 -10.3002 -10.3002 -9.3902 -9.3902 -9.2656 -9.2656 -9.2036 -9.2036 -9.0961 -9.0961 -7.5895 -7.5895 -7.4434 -7.4434 1.4420 1.4420 1.7578 1.7578 1.9118 1.9118 2.0487 2.0487 2.2190 2.2190 2.6356 2.6356 3.1434 3.1434 3.2930 3.2930 4.0241 4.0241 4.4461 4.4461 4.6430 4.6430 4.9101 4.9101 11.4425 11.4425 11.6932 11.6932 11.7395 11.7395 12.6065 12.6065 12.7500 12.7500 k = 0.2925 0.2925-0.0000 ( 5275 PWs) bands (ev): -27.5738 -27.5738 -27.5588 -27.5588 -16.4964 -16.4964 -16.3849 -16.3849 -10.4276 -10.4276 -10.2987 -10.2987 -9.3937 -9.3937 -9.2642 -9.2642 -9.2063 -9.2063 -9.0945 -9.0945 -7.5943 -7.5943 -7.4371 -7.4371 1.4469 1.4469 1.7874 1.7874 1.8888 1.8888 2.0379 2.0379 2.1909 2.1909 2.6356 2.6356 3.1687 3.1687 3.3210 3.3210 4.0233 4.0233 4.4446 4.4446 4.6577 4.6577 4.9262 4.9262 11.4316 11.4316 11.6835 11.6835 11.7477 11.7477 12.5548 12.5548 12.6841 12.6841 k = 0.2830 0.2830-0.0000 ( 5273 PWs) bands (ev): -27.5750 -27.5750 -27.5588 -27.5588 -16.4977 -16.4977 -16.3774 -16.3774 -10.4292 -10.4292 -10.2974 -10.2974 -9.3968 -9.3968 -9.2632 -9.2632 -9.2084 -9.2084 -9.0929 -9.0929 -7.5996 -7.5996 -7.4313 -7.4313 1.4523 1.4523 1.8176 1.8176 1.8661 1.8661 2.0274 2.0274 2.1626 2.1626 2.6352 2.6352 3.1952 3.1952 3.3503 3.3503 4.0228 4.0228 4.4417 4.4417 4.6726 4.6726 4.9417 4.9417 11.4221 11.4221 11.6729 11.6729 11.7612 11.7612 12.5049 12.5049 12.6001 12.6001 k = 0.2736 0.2736-0.0000 ( 5277 PWs) bands (ev): -27.5762 -27.5762 -27.5589 -27.5589 -16.4991 -16.4991 -16.3698 -16.3698 -10.4306 -10.4306 -10.2962 -10.2962 -9.3994 -9.3994 -9.2627 -9.2627 -9.2099 -9.2099 -9.0914 -9.0914 -7.6054 -7.6054 -7.4261 -7.4261 1.4582 1.4582 1.8436 1.8436 1.8485 1.8485 2.0172 2.0172 2.1344 2.1344 2.6344 2.6344 3.2226 3.2226 3.3807 3.3807 4.0228 4.0228 4.4378 4.4378 4.6876 4.6876 4.9568 4.9568 11.4135 11.4135 11.6613 11.6613 11.7795 11.7795 12.4573 12.4573 12.5034 12.5034 k = 0.2642 0.2642-0.0000 ( 5273 PWs) bands (ev): -27.5775 -27.5775 -27.5589 -27.5589 -16.5004 -16.5004 -16.3621 -16.3621 -10.4317 -10.4317 -10.2952 -10.2952 -9.4015 -9.4015 -9.2628 -9.2628 -9.2108 -9.2108 -9.0900 -9.0900 -7.6117 -7.6117 -7.4214 -7.4214 1.4645 1.4645 1.8216 1.8216 1.8798 1.8798 2.0072 2.0072 2.1063 2.1063 2.6332 2.6332 3.2506 3.2506 3.4123 3.4123 4.0231 4.0231 4.4331 4.4331 4.7027 4.7027 4.9713 4.9713 11.4053 11.4053 11.6490 11.6490 11.8024 11.8024 12.3979 12.3979 12.4133 12.4133 k = 0.2547 0.2547-0.0000 ( 5275 PWs) bands (ev): -27.5787 -27.5787 -27.5590 -27.5590 -16.5018 -16.5018 -16.3543 -16.3543 -10.4326 -10.4326 -10.2944 -10.2944 -9.4031 -9.4031 -9.2633 -9.2633 -9.2111 -9.2111 -9.0888 -9.0888 -7.6184 -7.6184 -7.4175 -7.4175 1.4712 1.4712 1.8002 1.8002 1.9114 1.9114 1.9974 1.9974 2.0786 2.0786 2.6317 2.6317 3.2789 3.2789 3.4450 3.4450 4.0237 4.0237 4.4278 4.4278 4.7179 4.7179 4.9854 4.9854 11.3970 11.3970 11.6358 11.6358 11.8294 11.8294 12.2886 12.2886 12.3713 12.3713 k = 0.2453 0.2453-0.0000 ( 5281 PWs) bands (ev): -27.5800 -27.5800 -27.5590 -27.5590 -16.5031 -16.5031 -16.3465 -16.3465 -10.4331 -10.4331 -10.2937 -10.2937 -9.4041 -9.4041 -9.2643 -9.2643 -9.2109 -9.2109 -9.0877 -9.0877 -7.6255 -7.6255 -7.4142 -7.4142 1.4783 1.4783 1.7794 1.7794 1.9432 1.9432 1.9876 1.9876 2.0517 2.0517 2.6298 2.6298 3.3069 3.3069 3.4787 3.4787 4.0248 4.0248 4.4225 4.4225 4.7332 4.7332 4.9988 4.9988 11.3878 11.3878 11.6216 11.6216 11.8599 11.8599 12.1761 12.1761 12.3334 12.3334 k = 0.2358 0.2358-0.0000 ( 5281 PWs) bands (ev): -27.5813 -27.5813 -27.5591 -27.5591 -16.5045 -16.5045 -16.3387 -16.3387 -10.4334 -10.4334 -10.2933 -10.2933 -9.4046 -9.4046 -9.2656 -9.2656 -9.2102 -9.2102 -9.0869 -9.0869 -7.6330 -7.6330 -7.4115 -7.4115 1.4857 1.4857 1.7594 1.7594 1.9742 1.9742 1.9776 1.9776 2.0268 2.0268 2.6276 2.6276 3.3344 3.3344 3.5133 3.5133 4.0264 4.0264 4.4174 4.4174 4.7485 4.7485 5.0118 5.0118 11.3770 11.3770 11.6066 11.6066 11.8932 11.8932 12.0623 12.0623 12.2999 12.2999 k = 0.2264 0.2264-0.0000 ( 5265 PWs) bands (ev): -27.5825 -27.5825 -27.5591 -27.5591 -16.5058 -16.5058 -16.3309 -16.3309 -10.4333 -10.4333 -10.2930 -10.2930 -9.4045 -9.4045 -9.2673 -9.2673 -9.2091 -9.2091 -9.0864 -9.0864 -7.6408 -7.6408 -7.4095 -7.4095 1.4934 1.4934 1.7401 1.7401 1.9654 1.9654 1.9940 1.9940 2.0162 2.0162 2.6251 2.6251 3.3608 3.3608 3.5484 3.5484 4.0287 4.0287 4.4130 4.4130 4.7638 4.7638 5.0241 5.0241 11.3636 11.3636 11.5904 11.5904 11.9266 11.9266 11.9504 11.9504 12.2712 12.2712 k = 0.2170 0.2170-0.0000 ( 5259 PWs) bands (ev): -27.5837 -27.5837 -27.5592 -27.5592 -16.5071 -16.5071 -16.3232 -16.3232 -10.4330 -10.4330 -10.2929 -10.2929 -9.4037 -9.4037 -9.2690 -9.2690 -9.2077 -9.2077 -9.0862 -9.0862 -7.6489 -7.6489 -7.4082 -7.4082 1.5012 1.5012 1.7218 1.7218 1.9495 1.9495 1.9806 1.9806 2.0434 2.0434 2.6223 2.6223 3.3858 3.3858 3.5839 3.5839 4.0316 4.0316 4.4098 4.4098 4.7792 4.7792 5.0359 5.0359 11.3468 11.3468 11.5729 11.5729 11.8336 11.8336 11.9666 11.9666 12.2479 12.2479 k = 0.2075 0.2075-0.0000 ( 5265 PWs) bands (ev): -27.5850 -27.5850 -27.5592 -27.5592 -16.5084 -16.5084 -16.3155 -16.3155 -10.4324 -10.4324 -10.2931 -10.2931 -9.4024 -9.4024 -9.2709 -9.2709 -9.2062 -9.2062 -9.0863 -9.0863 -7.6572 -7.6572 -7.4074 -7.4074 1.5092 1.5092 1.7044 1.7044 1.9288 1.9288 1.9684 1.9684 2.0752 2.0752 2.6192 2.6192 3.4088 3.4088 3.6192 3.6192 4.0354 4.0354 4.4084 4.4084 4.7946 4.7946 5.0471 5.0471 11.3257 11.3257 11.5541 11.5541 11.7211 11.7211 12.0039 12.0039 12.2306 12.2306 k = 0.1981 0.1981-0.0000 ( 5259 PWs) bands (ev): -27.5862 -27.5862 -27.5593 -27.5593 -16.5096 -16.5096 -16.3079 -16.3079 -10.4314 -10.4314 -10.2934 -10.2934 -9.4004 -9.4004 -9.2728 -9.2728 -9.2046 -9.2046 -9.0868 -9.0868 -7.6656 -7.6656 -7.4073 -7.4073 1.5173 1.5173 1.6880 1.6880 1.9056 1.9056 1.9594 1.9594 2.1073 2.1073 2.6160 2.6160 3.4296 3.4296 3.6539 3.6539 4.0403 4.0403 4.4092 4.4092 4.8101 4.8101 5.0577 5.0577 11.2995 11.2995 11.5336 11.5336 11.6104 11.6104 12.0414 12.0414 12.2197 12.2197 k = 0.1887 0.1887-0.0000 ( 5255 PWs) bands (ev): -27.5873 -27.5873 -27.5593 -27.5593 -16.5109 -16.5109 -16.3005 -16.3005 -10.4302 -10.4302 -10.2939 -10.2939 -9.3977 -9.3977 -9.2746 -9.2746 -9.2030 -9.2030 -9.0877 -9.0877 -7.6741 -7.6741 -7.4078 -7.4078 1.5254 1.5254 1.6727 1.6727 1.8819 1.8819 1.9520 1.9520 2.1393 2.1393 2.6125 2.6125 3.4477 3.4477 3.6875 3.6875 4.0462 4.0462 4.4127 4.4127 4.8257 4.8257 5.0678 5.0678 11.2675 11.2675 11.4987 11.4987 11.5146 11.5146 12.0783 12.0783 12.2156 12.2156 k = 0.1792 0.1792-0.0000 ( 5249 PWs) bands (ev): -27.5885 -27.5885 -27.5594 -27.5594 -16.5121 -16.5121 -16.2932 -16.2932 -10.4286 -10.4286 -10.2947 -10.2947 -9.3945 -9.3945 -9.2764 -9.2764 -9.2014 -9.2014 -9.0890 -9.0890 -7.6826 -7.6826 -7.4088 -7.4088 1.5334 1.5334 1.6583 1.6583 1.8583 1.8583 1.9456 1.9456 2.1709 2.1709 2.6089 2.6089 3.4629 3.4629 3.7197 3.7197 4.0532 4.0532 4.4194 4.4194 4.8415 4.8415 5.0772 5.0772 11.2292 11.2292 11.3943 11.3943 11.4896 11.4896 12.1144 12.1144 12.2185 12.2185 k = 0.1698 0.1698-0.0000 ( 5251 PWs) bands (ev): -27.5896 -27.5896 -27.5594 -27.5594 -16.5132 -16.5132 -16.2861 -16.2861 -10.4268 -10.4268 -10.2957 -10.2957 -9.3906 -9.3906 -9.2780 -9.2780 -9.1998 -9.1998 -9.0908 -9.0908 -7.6911 -7.6911 -7.4103 -7.4103 1.5413 1.5413 1.6451 1.6451 1.8352 1.8352 1.9398 1.9398 2.2022 2.2022 2.6051 2.6051 3.4749 3.4749 3.7500 3.7500 4.0613 4.0613 4.4295 4.4295 4.8576 4.8576 5.0862 5.0862 11.1843 11.1843 11.2910 11.2910 11.4652 11.4652 12.1493 12.1493 12.2287 12.2287 k = 0.1604 0.1604-0.0000 ( 5247 PWs) bands (ev): -27.5907 -27.5907 -27.5595 -27.5595 -16.5144 -16.5144 -16.2792 -16.2792 -10.4247 -10.4247 -10.2968 -10.2968 -9.3861 -9.3861 -9.2796 -9.2796 -9.1983 -9.1983 -9.0931 -9.0931 -7.6995 -7.6995 -7.4122 -7.4122 1.5489 1.5489 1.6330 1.6330 1.8129 1.8129 1.9347 1.9347 2.2329 2.2329 2.6013 2.6013 3.4835 3.4835 3.7783 3.7783 4.0703 4.0703 4.4430 4.4430 4.8742 4.8742 5.0946 5.0946 11.1330 11.1330 11.1910 11.1910 11.4400 11.4400 12.1829 12.1829 12.2460 12.2460 k = 0.1509 0.1509-0.0000 ( 5255 PWs) bands (ev): -27.5917 -27.5917 -27.5595 -27.5595 -16.5155 -16.5155 -16.2725 -16.2725 -10.4224 -10.4224 -10.2982 -10.2982 -9.3810 -9.3810 -9.2810 -9.2810 -9.1969 -9.1969 -9.0959 -9.0959 -7.7078 -7.7078 -7.4145 -7.4145 1.5563 1.5563 1.6219 1.6219 1.7915 1.7915 1.9301 1.9301 2.2630 2.2630 2.5974 2.5974 3.4889 3.4889 3.8046 3.8046 4.0800 4.0800 4.4598 4.4598 4.8914 4.8914 5.1025 5.1025 11.0759 11.0759 11.0945 11.0945 11.4142 11.4142 12.2151 12.2151 12.2703 12.2703 k = 0.1415 0.1415-0.0000 ( 5257 PWs) bands (ev): -27.5927 -27.5927 -27.5596 -27.5596 -16.5165 -16.5165 -16.2661 -16.2661 -10.4198 -10.4198 -10.2998 -10.2998 -9.3754 -9.3754 -9.2822 -9.2822 -9.1957 -9.1957 -9.0993 -9.0993 -7.7158 -7.7158 -7.4171 -7.4171 1.5632 1.5632 1.6120 1.6120 1.7710 1.7710 1.9260 1.9260 2.2923 2.2923 2.5936 2.5936 3.4911 3.4911 3.8286 3.8286 4.0903 4.0903 4.4792 4.4792 4.9094 4.9094 5.1099 5.1099 11.0019 11.0019 11.0137 11.0137 11.3883 11.3883 12.2452 12.2452 12.3006 12.3006 k = 0.1321 0.1321-0.0000 ( 5257 PWs) bands (ev): -27.5937 -27.5937 -27.5596 -27.5596 -16.5175 -16.5175 -16.2600 -16.2600 -10.4170 -10.4170 -10.3016 -10.3016 -9.3692 -9.3692 -9.2832 -9.2832 -9.1946 -9.1946 -9.1031 -9.1031 -7.7235 -7.7235 -7.4200 -7.4200 1.5696 1.5696 1.6032 1.6032 1.7516 1.7516 1.9223 1.9223 2.3207 2.3207 2.5898 2.5898 3.4904 3.4904 3.8506 3.8506 4.1010 4.1010 4.5006 4.5006 4.9284 4.9284 5.1169 5.1169 10.9137 10.9137 10.9473 10.9473 11.3624 11.3624 12.2669 12.2669 12.2725 12.2725 k = 0.1226 0.1226-0.0000 ( 5253 PWs) bands (ev): -27.5946 -27.5946 -27.5596 -27.5596 -16.5184 -16.5184 -16.2542 -16.2542 -10.4140 -10.4140 -10.3035 -10.3035 -9.3626 -9.3626 -9.2841 -9.2841 -9.1936 -9.1936 -9.1075 -9.1075 -7.7310 -7.7310 -7.4231 -7.4231 1.5753 1.5753 1.5958 1.5958 1.7332 1.7332 1.9190 1.9190 2.3481 2.3481 2.5861 2.5861 3.4871 3.4871 3.8706 3.8706 4.1120 4.1120 4.5229 4.5229 4.9486 4.9486 5.1235 5.1235 10.8300 10.8300 10.8781 10.8781 11.3371 11.3371 12.2245 12.2245 12.2904 12.2904 k = 0.1132 0.1132-0.0000 ( 5241 PWs) bands (ev): -27.5954 -27.5954 -27.5597 -27.5597 -16.5193 -16.5193 -16.2487 -16.2487 -10.4108 -10.4108 -10.3057 -10.3057 -9.3555 -9.3555 -9.2847 -9.2847 -9.1928 -9.1928 -9.1123 -9.1123 -7.7380 -7.7380 -7.4263 -7.4263 1.5792 1.5792 1.5906 1.5906 1.7161 1.7161 1.9161 1.9161 2.3742 2.3742 2.5826 2.5826 3.4816 3.4816 3.8886 3.8886 4.1234 4.1234 4.5452 4.5452 4.9700 4.9700 5.1299 5.1299 10.7513 10.7513 10.8073 10.8073 11.3125 11.3125 12.1840 12.1840 12.2937 12.2937 k = 0.1038 0.1038-0.0000 ( 5229 PWs) bands (ev): -27.5962 -27.5962 -27.5597 -27.5597 -16.5201 -16.5201 -16.2436 -16.2436 -10.4074 -10.4074 -10.3079 -10.3079 -9.3480 -9.3480 -9.2852 -9.2852 -9.1922 -9.1922 -9.1176 -9.1176 -7.7446 -7.7446 -7.4296 -7.4296 1.5783 1.5783 1.5906 1.5906 1.7001 1.7001 1.9135 1.9135 2.3991 2.3991 2.5793 2.5793 3.4745 3.4745 3.9047 3.9047 4.1350 4.1350 4.5667 4.5667 4.9925 4.9925 5.1360 5.1360 10.6776 10.6776 10.7364 10.7364 11.2890 11.2890 12.1462 12.1462 12.2796 12.2796 k = 0.0943 0.0943-0.0000 ( 5231 PWs) bands (ev): -27.5970 -27.5970 -27.5597 -27.5597 -16.5208 -16.5208 -16.2388 -16.2388 -10.4040 -10.4040 -10.3104 -10.3104 -9.3403 -9.3403 -9.2854 -9.2854 -9.1918 -9.1918 -9.1233 -9.1233 -7.7508 -7.7508 -7.4328 -7.4328 1.5743 1.5743 1.5940 1.5940 1.6854 1.6854 1.9113 1.9113 2.4224 2.4224 2.5764 2.5764 3.4661 3.4661 3.9189 3.9189 4.1467 4.1467 4.5864 4.5864 5.0159 5.0159 5.1420 5.1420 10.6094 10.6094 10.6665 10.6665 11.2667 11.2667 12.1113 12.1113 12.2560 12.2560 k = 0.0849 0.0849-0.0000 ( 5227 PWs) bands (ev): -27.5976 -27.5976 -27.5598 -27.5598 -16.5215 -16.5215 -16.2345 -16.2345 -10.4005 -10.4005 -10.3130 -10.3130 -9.3325 -9.3325 -9.2854 -9.2854 -9.1916 -9.1916 -9.1293 -9.1293 -7.7565 -7.7565 -7.4360 -7.4360 1.5703 1.5703 1.5977 1.5977 1.6720 1.6720 1.9093 1.9093 2.4440 2.4440 2.5738 2.5738 3.4570 3.4570 3.9315 3.9315 4.1583 4.1583 4.6040 4.6040 5.0395 5.0395 5.1482 5.1482 10.5468 10.5468 10.5990 10.5990 11.2460 11.2460 12.0794 12.0794 12.2300 12.2300 k = 0.0755 0.0755-0.0000 ( 5221 PWs) bands (ev): -27.5982 -27.5982 -27.5598 -27.5598 -16.5221 -16.5221 -16.2305 -16.2305 -10.3969 -10.3969 -10.3156 -10.3156 -9.3246 -9.3246 -9.2850 -9.2850 -9.1917 -9.1917 -9.1355 -9.1355 -7.7616 -7.7616 -7.4390 -7.4390 1.5667 1.5667 1.6012 1.6012 1.6599 1.6599 1.9077 1.9077 2.4636 2.4636 2.5718 2.5718 3.4475 3.4475 3.9423 3.9423 4.1697 4.1697 4.6192 4.6192 5.0627 5.0627 5.1547 5.1547 10.4901 10.4901 10.5351 10.5351 11.2270 11.2270 12.0506 12.0506 12.2051 12.2051 k = 0.0660 0.0660-0.0000 ( 5217 PWs) bands (ev): -27.5988 -27.5988 -27.5598 -27.5598 -16.5227 -16.5227 -16.2270 -16.2270 -10.3934 -10.3934 -10.3183 -10.3183 -9.3171 -9.3171 -9.2840 -9.2840 -9.1921 -9.1921 -9.1418 -9.1418 -7.7662 -7.7662 -7.4418 -7.4418 1.5638 1.5638 1.6042 1.6042 1.6491 1.6491 1.9063 1.9063 2.4810 2.4810 2.5704 2.5704 3.4380 3.4380 3.9517 3.9517 4.1807 4.1807 4.6319 4.6319 5.0841 5.0841 5.1621 5.1621 10.4395 10.4395 10.4758 10.4758 11.2099 11.2099 12.0250 12.0250 12.1824 12.1824 k = 0.0566 0.0566-0.0000 ( 5227 PWs) bands (ev): -27.5993 -27.5993 -27.5599 -27.5599 -16.5232 -16.5232 -16.2239 -16.2239 -10.3900 -10.3900 -10.3210 -10.3210 -9.3104 -9.3104 -9.2822 -9.2822 -9.1930 -9.1930 -9.1479 -9.1479 -7.7703 -7.7703 -7.4444 -7.4444 1.5613 1.5613 1.6068 1.6068 1.6397 1.6397 1.9051 1.9051 2.4958 2.4958 2.5698 2.5698 3.4290 3.4290 3.9596 3.9596 4.1908 4.1908 4.6422 4.6422 5.1024 5.1024 5.1709 5.1709 10.3952 10.3952 10.4222 10.4222 11.1948 11.1948 12.0026 12.0026 12.1625 12.1625 k = 0.0472 0.0472-0.0000 ( 5225 PWs) bands (ev): -27.5997 -27.5997 -27.5599 -27.5599 -16.5236 -16.5236 -16.2213 -16.2213 -10.3867 -10.3867 -10.3236 -10.3236 -9.3049 -9.3049 -9.2792 -9.2792 -9.1944 -9.1944 -9.1536 -9.1536 -7.7737 -7.7737 -7.4467 -7.4467 1.5594 1.5594 1.6090 1.6090 1.6318 1.6318 1.9042 1.9042 2.5077 2.5077 2.5702 2.5702 3.4207 3.4207 3.9661 3.9661 4.1999 4.1999 4.6503 4.6503 5.1167 5.1167 5.1813 5.1813 10.3575 10.3575 10.3753 10.3753 11.1819 11.1819 11.9836 11.9836 12.1457 12.1457 k = 0.0377 0.0377-0.0000 ( 5221 PWs) bands (ev): -27.6000 -27.6000 -27.5599 -27.5599 -16.5239 -16.5239 -16.2191 -16.2191 -10.3838 -10.3838 -10.3261 -10.3261 -9.3011 -9.3011 -9.2748 -9.2748 -9.1965 -9.1965 -9.1586 -9.1586 -7.7765 -7.7765 -7.4486 -7.4486 1.5579 1.5579 1.6107 1.6107 1.6252 1.6252 1.9034 1.9034 2.5167 2.5167 2.5715 2.5715 3.4134 3.4134 3.9714 3.9714 4.2078 4.2078 4.6565 4.6565 5.1268 5.1268 5.1927 5.1927 10.3263 10.3263 10.3357 10.3357 11.1711 11.1711 11.9680 11.9680 12.1318 12.1318 k = 0.0283 0.0283-0.0000 ( 5211 PWs) bands (ev): -27.6003 -27.6003 -27.5599 -27.5599 -16.5242 -16.5242 -16.2174 -16.2174 -10.3812 -10.3812 -10.3282 -10.3282 -9.2988 -9.2988 -9.2697 -9.2697 -9.1991 -9.1991 -9.1625 -9.1625 -7.7787 -7.7787 -7.4501 -7.4501 1.5568 1.5568 1.6119 1.6119 1.6202 1.6202 1.9029 1.9029 2.5228 2.5228 2.5736 2.5736 3.4075 3.4075 3.9755 3.9755 4.2141 4.2141 4.6610 4.6610 5.1334 5.1334 5.2035 5.2035 10.3019 10.3019 10.3042 10.3042 11.1627 11.1627 11.9558 11.9558 12.1211 12.1211 k = 0.0189 0.0189-0.0000 ( 5209 PWs) bands (ev): -27.6004 -27.6004 -27.5599 -27.5599 -16.5244 -16.5244 -16.2162 -16.2162 -10.3792 -10.3792 -10.3299 -10.3299 -9.2974 -9.2974 -9.2648 -9.2648 -9.2019 -9.2019 -9.1653 -9.1653 -7.7803 -7.7803 -7.4512 -7.4512 1.5561 1.5561 1.6128 1.6128 1.6165 1.6165 1.9025 1.9025 2.5266 2.5266 2.5758 2.5758 3.4031 3.4031 3.9783 3.9783 4.2188 4.2188 4.6641 4.6641 5.1375 5.1375 5.2123 5.2123 10.2813 10.2813 10.2845 10.2845 11.1566 11.1566 11.9470 11.9470 12.1135 12.1135 k = 0.0094 0.0094-0.0000 ( 5217 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2154 -16.2154 -10.3779 -10.3779 -10.3310 -10.3310 -9.2968 -9.2968 -9.2612 -9.2612 -9.2042 -9.2042 -9.1669 -9.1669 -7.7813 -7.7813 -7.4519 -7.4519 1.5556 1.5556 1.6133 1.6133 1.6144 1.6144 1.9022 1.9022 2.5285 2.5285 2.5774 2.5774 3.4004 3.4004 3.9800 3.9800 4.2216 4.2216 4.6658 4.6658 5.1397 5.1397 5.2180 5.2180 10.2674 10.2674 10.2739 10.2739 11.1530 11.1530 11.9417 11.9417 12.1089 12.1089 k = 0.0000 0.0000 0.0000 ( 5223 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3774 -10.3774 -10.3314 -10.3314 -9.2966 -9.2966 -9.2599 -9.2599 -9.2051 -9.2051 -9.1674 -9.1674 -7.7816 -7.7816 -7.4522 -7.4522 1.5555 1.5555 1.6132 1.6132 1.6139 1.6139 1.9021 1.9021 2.5291 2.5291 2.5780 2.5780 3.3995 3.3995 3.9806 3.9806 4.2226 4.2226 4.6664 4.6664 5.1404 5.1404 5.2199 5.2199 10.2627 10.2627 10.2704 10.2704 11.1518 11.1518 11.9400 11.9400 12.1073 12.1073 k = 0.0000 0.0000 0.0000 ( 5223 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3774 -10.3774 -10.3314 -10.3314 -9.2966 -9.2966 -9.2599 -9.2599 -9.2051 -9.2051 -9.1674 -9.1674 -7.7816 -7.7816 -7.4522 -7.4522 1.5555 1.5555 1.6132 1.6132 1.6139 1.6139 1.9021 1.9021 2.5291 2.5291 2.5780 2.5780 3.3995 3.3995 3.9806 3.9806 4.2226 4.2226 4.6664 4.6664 5.1404 5.1404 5.2199 5.2199 10.2627 10.2627 10.2704 10.2704 11.1518 11.1518 11.9400 11.9400 12.1073 12.1073 k = 0.0000 0.0000 0.0131 ( 5223 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3774 -10.3774 -10.3315 -10.3315 -9.2966 -9.2966 -9.2603 -9.2603 -9.2047 -9.2047 -9.1674 -9.1674 -7.7816 -7.7816 -7.4521 -7.4521 1.5550 1.5550 1.6132 1.6132 1.6139 1.6139 1.9021 1.9021 2.5290 2.5290 2.5779 2.5779 3.4007 3.4007 3.9810 3.9810 4.2230 4.2230 4.6654 4.6654 5.1388 5.1388 5.2197 5.2197 10.2670 10.2670 10.2720 10.2720 11.1557 11.1557 11.9369 11.9369 12.1078 12.1078 k = 0.0000 0.0000 0.0261 ( 5239 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3773 -10.3773 -10.3317 -10.3317 -9.2965 -9.2965 -9.2615 -9.2615 -9.2033 -9.2033 -9.1675 -9.1675 -7.7816 -7.7816 -7.4519 -7.4519 1.5534 1.5534 1.6132 1.6132 1.6139 1.6139 1.9021 1.9021 2.5285 2.5285 2.5775 2.5775 3.4043 3.4043 3.9823 3.9823 4.2240 4.2240 4.6624 4.6624 5.1341 5.1341 5.2191 5.2191 10.2767 10.2767 10.2800 10.2800 11.1675 11.1675 11.9275 11.9275 12.1092 12.1092 k = 0.0000 0.0000 0.0392 ( 5223 PWs) bands (ev): -27.6006 -27.6006 -27.5599 -27.5599 -16.5245 -16.5245 -16.2152 -16.2152 -10.3771 -10.3771 -10.3321 -10.3321 -9.2964 -9.2964 -9.2634 -9.2634 -9.2013 -9.2013 -9.1676 -9.1676 -7.7815 -7.7815 -7.4517 -7.4517 1.5509 1.5509 1.6132 1.6132 1.6140 1.6140 1.9020 1.9020 2.5278 2.5278 2.5770 2.5770 3.4102 3.4102 3.9844 3.9844 4.2258 4.2258 4.6573 4.6573 5.1264 5.1264 5.2182 5.2182 10.2845 10.2845 10.3014 10.3014 11.1871 11.1871 11.9122 11.9122 12.1116 12.1116 k = 0.0000 0.0000 0.0523 ( 5231 PWs) bands (ev): -27.6006 -27.6006 -27.5600 -27.5600 -16.5245 -16.5245 -16.2152 -16.2152 -10.3768 -10.3768 -10.3327 -10.3327 -9.2963 -9.2963 -9.2658 -9.2658 -9.1986 -9.1986 -9.1677 -9.1677 -7.7815 -7.7815 -7.4513 -7.4513 1.5475 1.5475 1.6132 1.6132 1.6140 1.6140 1.9019 1.9019 2.5269 2.5269 2.5761 2.5761 3.4183 3.4183 3.9872 3.9872 4.2282 4.2282 4.6501 4.6501 5.1161 5.1161 5.2168 5.2168 10.2954 10.2954 10.3310 10.3310 11.2144 11.2144 11.8909 11.8909 12.1149 12.1149 k = 0.0000 0.0000 0.0653 ( 5219 PWs) bands (ev): -27.6005 -27.6005 -27.5600 -27.5600 -16.5245 -16.5245 -16.2152 -16.2152 -10.3764 -10.3764 -10.3334 -10.3334 -9.2962 -9.2962 -9.2685 -9.2685 -9.1955 -9.1955 -9.1678 -9.1678 -7.7815 -7.7815 -7.4509 -7.4509 1.5433 1.5433 1.6132 1.6132 1.6140 1.6140 1.9018 1.9018 2.5256 2.5256 2.5751 2.5751 3.4288 3.4288 3.9909 3.9909 4.2312 4.2312 4.6407 4.6407 5.1034 5.1034 5.2151 5.2151 10.3094 10.3094 10.3685 10.3685 11.2493 11.2493 11.8640 11.8640 12.1192 12.1192 k = 0.0000 0.0000 0.0784 ( 5211 PWs) bands (ev): -27.6005 -27.6005 -27.5600 -27.5600 -16.5245 -16.5245 -16.2152 -16.2152 -10.3760 -10.3760 -10.3342 -10.3342 -9.2961 -9.2961 -9.2714 -9.2714 -9.1922 -9.1922 -9.1679 -9.1679 -7.7814 -7.7814 -7.4504 -7.4504 1.5383 1.5383 1.6132 1.6132 1.6140 1.6140 1.9017 1.9017 2.5242 2.5242 2.5739 2.5739 3.4413 3.4413 3.9952 3.9952 4.2347 4.2347 4.6290 4.6290 5.0888 5.0888 5.2131 5.2131 10.3265 10.3265 10.4134 10.4134 11.2914 11.2914 11.8319 11.8319 12.1244 12.1244 k = 0.0000 0.0000 0.0915 ( 5235 PWs) bands (ev): -27.6005 -27.6005 -27.5600 -27.5600 -16.5245 -16.5245 -16.2152 -16.2152 -10.3755 -10.3755 -10.3352 -10.3352 -9.2959 -9.2959 -9.2745 -9.2745 -9.1887 -9.1887 -9.1681 -9.1681 -7.7813 -7.7813 -7.4498 -7.4498 1.5326 1.5326 1.6131 1.6131 1.6140 1.6140 1.9016 1.9016 2.5226 2.5226 2.5725 2.5725 3.4558 3.4558 4.0002 4.0002 4.2387 4.2387 4.6149 4.6149 5.0728 5.0728 5.2108 5.2108 10.3465 10.3465 10.4653 10.4653 11.3406 11.3406 11.7950 11.7950 12.1304 12.1304 k = 0.0000 0.0000 0.1045 ( 5243 PWs) bands (ev): -27.6005 -27.6005 -27.5601 -27.5601 -16.5246 -16.5246 -16.2152 -16.2152 -10.3749 -10.3749 -10.3363 -10.3363 -9.2957 -9.2957 -9.2776 -9.2776 -9.1851 -9.1851 -9.1683 -9.1683 -7.7813 -7.7813 -7.4491 -7.4491 1.5265 1.5265 1.6131 1.6131 1.6140 1.6140 1.9014 1.9014 2.5209 2.5209 2.5710 2.5710 3.4723 3.4723 4.0058 4.0058 4.2432 4.2432 4.5983 4.5983 5.0560 5.0560 5.2083 5.2083 10.3695 10.3695 10.5235 10.5235 11.3965 11.3965 11.7539 11.7539 12.1373 12.1373 k = 0.0000 0.0000 0.1176 ( 5239 PWs) bands (ev): -27.6004 -27.6004 -27.5601 -27.5601 -16.5246 -16.5246 -16.2152 -16.2152 -10.3742 -10.3742 -10.3375 -10.3375 -9.2955 -9.2955 -9.2806 -9.2806 -9.1815 -9.1815 -9.1685 -9.1685 -7.7812 -7.7812 -7.4484 -7.4484 1.5199 1.5199 1.6131 1.6131 1.6141 1.6141 1.9013 1.9013 2.5190 2.5190 2.5695 2.5695 3.4905 3.4905 4.0119 4.0119 4.2479 4.2479 4.5793 4.5793 5.0387 5.0387 5.2056 5.2056 10.3954 10.3954 10.5875 10.5875 11.4589 11.4589 11.7089 11.7089 12.1450 12.1450 k = 0.0000 0.0000 0.1307 ( 5235 PWs) bands (ev): -27.6004 -27.6004 -27.5601 -27.5601 -16.5246 -16.5246 -16.2152 -16.2152 -10.3734 -10.3734 -10.3389 -10.3389 -9.2953 -9.2953 -9.2835 -9.2835 -9.1780 -9.1780 -9.1687 -9.1687 -7.7811 -7.7811 -7.4477 -7.4477 1.5132 1.5132 1.6131 1.6131 1.6141 1.6141 1.9011 1.9011 2.5171 2.5171 2.5678 2.5678 3.5102 3.5102 4.0185 4.0185 4.2529 4.2529 4.5577 4.5577 5.0216 5.0216 5.2027 5.2027 10.4241 10.4241 10.6565 10.6565 11.5271 11.5271 11.6606 11.6606 12.1532 12.1532 k = 0.0000 0.0000 0.1437 ( 5239 PWs) bands (ev): -27.6004 -27.6004 -27.5602 -27.5602 -16.5246 -16.5246 -16.2152 -16.2152 -10.3726 -10.3726 -10.3403 -10.3403 -9.2951 -9.2951 -9.2863 -9.2863 -9.1746 -9.1746 -9.1689 -9.1689 -7.7811 -7.7811 -7.4470 -7.4470 1.5063 1.5063 1.6130 1.6130 1.6141 1.6141 1.9009 1.9009 2.5151 2.5151 2.5661 2.5661 3.5312 3.5312 4.0256 4.0256 4.2580 4.2580 4.5338 4.5338 5.0050 5.0050 5.1998 5.1998 10.4555 10.4555 10.7298 10.7298 11.6006 11.6006 11.6095 11.6095 12.1619 12.1619 k = 0.0000 0.0000 0.1568 ( 5243 PWs) bands (ev): -27.6003 -27.6003 -27.5602 -27.5602 -16.5246 -16.5246 -16.2152 -16.2152 -10.3716 -10.3716 -10.3418 -10.3418 -9.2949 -9.2949 -9.2890 -9.2890 -9.1714 -9.1714 -9.1691 -9.1691 -7.7810 -7.7810 -7.4462 -7.4462 1.4995 1.4995 1.6130 1.6130 1.6141 1.6141 1.9008 1.9008 2.5132 2.5132 2.5645 2.5645 3.5533 3.5533 4.0331 4.0331 4.2632 4.2632 4.5078 4.5078 4.9893 4.9893 5.1968 5.1968 10.4896 10.4896 10.8066 10.8066 11.5561 11.5561 11.6787 11.6787 12.1709 12.1709 k = 0.0000 0.0000 0.1699 ( 5231 PWs) bands (ev): -27.6003 -27.6003 -27.5602 -27.5602 -16.5246 -16.5246 -16.2152 -16.2152 -10.3706 -10.3706 -10.3433 -10.3433 -9.2947 -9.2947 -9.2914 -9.2914 -9.1693 -9.1693 -9.1684 -9.1684 -7.7809 -7.7809 -7.4455 -7.4455 1.4929 1.4929 1.6130 1.6130 1.6142 1.6142 1.9006 1.9006 2.5113 2.5113 2.5628 2.5628 3.5761 3.5761 4.0409 4.0409 4.2682 4.2682 4.4799 4.4799 4.9748 4.9748 5.1938 5.1938 10.5262 10.5262 10.8860 10.8860 11.5008 11.5008 11.7606 11.7606 12.1800 12.1800 k = 0.0000 0.0000 0.1829 ( 5231 PWs) bands (ev): -27.6003 -27.6003 -27.5602 -27.5602 -16.5246 -16.5246 -16.2152 -16.2152 -10.3695 -10.3695 -10.3449 -10.3449 -9.2945 -9.2945 -9.2937 -9.2937 -9.1695 -9.1695 -9.1656 -9.1656 -7.7809 -7.7809 -7.4448 -7.4448 1.4865 1.4865 1.6129 1.6129 1.6142 1.6142 1.9004 1.9004 2.5095 2.5095 2.5613 2.5613 3.5993 3.5993 4.0490 4.0490 4.2731 4.2731 4.4506 4.4506 4.9616 4.9616 5.1910 5.1910 10.5653 10.5653 10.9669 10.9669 11.4442 11.4442 11.8450 11.8450 12.1891 12.1891 k = 0.0000 0.0000 0.1960 ( 5239 PWs) bands (ev): -27.6002 -27.6002 -27.5603 -27.5603 -16.5246 -16.5246 -16.2152 -16.2152 -10.3684 -10.3684 -10.3466 -10.3466 -9.2957 -9.2957 -9.2944 -9.2944 -9.1697 -9.1697 -9.1631 -9.1631 -7.7808 -7.7808 -7.4442 -7.4442 1.4806 1.4806 1.6129 1.6129 1.6142 1.6142 1.9003 1.9003 2.5078 2.5078 2.5598 2.5598 3.6223 3.6223 4.0575 4.0575 4.2777 4.2777 4.4204 4.4204 4.9499 4.9499 5.1883 5.1883 10.6066 10.6066 11.0483 11.0483 11.3867 11.3867 11.9304 11.9304 12.1980 12.1980 k = 0.0000 0.0000 0.2091 ( 5231 PWs) bands (ev): -27.6002 -27.6002 -27.5603 -27.5603 -16.5246 -16.5246 -16.2152 -16.2152 -10.3671 -10.3671 -10.3483 -10.3483 -9.2974 -9.2974 -9.2942 -9.2942 -9.1699 -9.1699 -9.1609 -9.1609 -7.7807 -7.7807 -7.4436 -7.4436 1.4752 1.4752 1.6129 1.6129 1.6142 1.6142 1.9002 1.9002 2.5062 2.5062 2.5585 2.5585 3.6446 3.6446 4.0664 4.0664 4.2819 4.2819 4.3901 4.3901 4.9397 4.9397 5.1858 5.1858 10.6500 10.6500 11.1287 11.1287 11.3288 11.3288 12.0145 12.0145 12.2064 12.2064 k = 0.0000 0.0000 0.2221 ( 5231 PWs) bands (ev): -27.6002 -27.6002 -27.5603 -27.5603 -16.5246 -16.5246 -16.2152 -16.2152 -10.3658 -10.3658 -10.3500 -10.3500 -9.2989 -9.2989 -9.2940 -9.2940 -9.1700 -9.1700 -9.1590 -9.1590 -7.7807 -7.7807 -7.4430 -7.4430 1.4705 1.4705 1.6128 1.6128 1.6143 1.6143 1.9000 1.9000 2.5049 2.5049 2.5573 2.5573 3.6656 3.6656 4.0756 4.0756 4.2856 4.2856 4.3603 4.3603 4.9311 4.9311 5.1835 5.1835 10.6951 10.6951 11.2065 11.2065 11.2710 11.2710 12.0938 12.0938 12.2142 12.2142 k = 0.0000 0.0000 0.2352 ( 5252 PWs) bands (ev): -27.6002 -27.6002 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3645 -10.3645 -10.3517 -10.3517 -9.3002 -9.3002 -9.2939 -9.2939 -9.1702 -9.1702 -9.1574 -9.1574 -7.7807 -7.7807 -7.4426 -7.4426 1.4665 1.4665 1.6128 1.6128 1.6143 1.6143 1.8999 1.8999 2.5037 2.5037 2.5563 2.5563 3.6845 3.6845 4.0851 4.0851 4.2888 4.2888 4.3322 4.3322 4.9241 4.9241 5.1816 5.1816 10.7415 10.7415 11.2139 11.2139 11.2793 11.2793 12.1611 12.1611 12.2209 12.2209 k = 0.0000 0.0000 0.2482 ( 5244 PWs) bands (ev): -27.6002 -27.6002 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3630 -10.3630 -10.3534 -10.3534 -9.3012 -9.3012 -9.2938 -9.2938 -9.1703 -9.1703 -9.1561 -9.1561 -7.7806 -7.7806 -7.4422 -7.4422 1.4633 1.4633 1.6128 1.6128 1.6143 1.6143 1.8999 1.8999 2.5028 2.5028 2.5555 2.5555 3.7004 3.7004 4.0945 4.0945 4.2914 4.2914 4.3069 4.3069 4.9187 4.9187 5.1801 5.1801 10.7884 10.7884 11.1586 11.1586 11.3440 11.3440 12.1974 12.1974 12.2265 12.2265 k = 0.0000 0.0000 0.2613 ( 5244 PWs) bands (ev): -27.6002 -27.6002 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3616 -10.3616 -10.3550 -10.3550 -9.3019 -9.3019 -9.2937 -9.2937 -9.1704 -9.1704 -9.1552 -9.1552 -7.7806 -7.7806 -7.4420 -7.4420 1.4610 1.4610 1.6128 1.6128 1.6143 1.6143 1.8998 1.8998 2.5022 2.5022 2.5549 2.5549 3.7125 3.7125 4.1031 4.1031 4.2861 4.2861 4.2932 4.2932 4.9148 4.9148 5.1790 5.1790 10.8339 10.8339 11.1069 11.1069 11.3964 11.3964 12.1883 12.1883 12.2306 12.2306 k = 0.0000 0.0000 0.2744 ( 5244 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3600 -10.3600 -10.3567 -10.3567 -9.3023 -9.3023 -9.2937 -9.2937 -9.1704 -9.1704 -9.1547 -9.1547 -7.7806 -7.7806 -7.4418 -7.4418 1.4596 1.4596 1.6128 1.6128 1.6143 1.6143 1.8998 1.8998 2.5018 2.5018 2.5546 2.5546 3.7201 3.7201 4.1095 4.1095 4.2721 4.2721 4.2944 4.2944 4.9124 4.9124 5.1783 5.1783 10.8728 10.8728 11.0643 11.0643 11.4312 11.4312 12.1681 12.1681 12.2332 12.2332 k = 0.0000 0.0000 0.2874 ( 5240 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3589 -10.3589 -10.3579 -10.3579 -9.3024 -9.3024 -9.2937 -9.2937 -9.1704 -9.1704 -9.1545 -9.1545 -7.7806 -7.7806 -7.4418 -7.4418 1.4591 1.4591 1.6128 1.6128 1.6143 1.6143 1.8998 1.8998 2.5016 2.5016 2.5545 2.5545 3.7227 3.7227 4.1119 4.1119 4.2670 4.2670 4.2947 4.2947 4.9117 4.9117 5.1781 5.1781 10.8904 10.8904 11.0454 11.0454 11.4435 11.4435 12.1597 12.1597 12.2340 12.2340 k = 0.0000 0.0000 0.2874 ( 5240 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3589 -10.3589 -10.3579 -10.3579 -9.3024 -9.3024 -9.2937 -9.2937 -9.1704 -9.1704 -9.1545 -9.1545 -7.7806 -7.7806 -7.4418 -7.4418 1.4591 1.4591 1.6128 1.6128 1.6143 1.6143 1.8998 1.8998 2.5016 2.5016 2.5545 2.5545 3.7227 3.7227 4.1119 4.1119 4.2670 4.2670 4.2947 4.2947 4.9117 4.9117 5.1781 5.1781 10.8904 10.8904 11.0454 11.0454 11.4435 11.4435 12.1597 12.1597 12.2340 12.2340 k = 0.0000 0.0132 0.2874 ( 5240 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2154 -16.2154 -10.3631 -10.3631 -10.3537 -10.3537 -9.3060 -9.3060 -9.2904 -9.2904 -9.1720 -9.1720 -9.1528 -9.1528 -7.7802 -7.7802 -7.4416 -7.4416 1.4597 1.4597 1.6131 1.6131 1.6146 1.6146 1.8998 1.8998 2.5013 2.5013 2.5541 2.5541 3.7215 3.7215 4.1049 4.1049 4.2512 4.2512 4.3163 4.3163 4.9115 4.9115 5.1771 5.1771 10.8931 10.8931 11.0483 11.0483 11.4457 11.4457 12.1597 12.1597 12.2335 12.2335 k = 0.0000 0.0263 0.2874 ( 5256 PWs) bands (ev): -27.6000 -27.6000 -27.5604 -27.5604 -16.5245 -16.5245 -16.2162 -16.2162 -10.3678 -10.3678 -10.3492 -10.3492 -9.3121 -9.3121 -9.2850 -9.2850 -9.1756 -9.1756 -9.1490 -9.1490 -7.7789 -7.7789 -7.4412 -7.4412 1.4614 1.4614 1.6140 1.6140 1.6153 1.6153 1.8999 1.8999 2.5002 2.5002 2.5529 2.5529 3.7180 3.7180 4.0849 4.0849 4.2339 4.2339 4.3501 4.3501 4.9109 4.9109 5.1742 5.1742 10.9009 10.9009 11.0567 11.0567 11.4522 11.4522 12.1598 12.1598 12.2318 12.2318 k = 0.0000 0.0395 0.2874 ( 5256 PWs) bands (ev): -27.5998 -27.5998 -27.5604 -27.5604 -16.5243 -16.5243 -16.2173 -16.2173 -10.3725 -10.3725 -10.3447 -10.3447 -9.3187 -9.3187 -9.2796 -9.2796 -9.1799 -9.1799 -9.1444 -9.1444 -7.7768 -7.7768 -7.4405 -7.4405 1.4642 1.4642 1.6155 1.6155 1.6166 1.6166 1.9001 1.9001 2.4984 2.4984 2.5509 2.5509 3.7119 3.7119 4.0547 4.0547 4.2228 4.2228 4.3857 4.3857 4.9101 4.9101 5.1694 5.1694 10.9138 10.9138 11.0706 11.0706 11.4630 11.4630 12.1597 12.1597 12.2292 12.2292 k = 0.0000 0.0526 0.2874 ( 5248 PWs) bands (ev): -27.5996 -27.5996 -27.5604 -27.5604 -16.5241 -16.5241 -16.2190 -16.2190 -10.3771 -10.3771 -10.3404 -10.3404 -9.3256 -9.3256 -9.2745 -9.2745 -9.1841 -9.1841 -9.1397 -9.1397 -7.7739 -7.7739 -7.4394 -7.4394 1.4682 1.4682 1.6176 1.6176 1.6184 1.6184 1.9003 1.9003 2.4957 2.4957 2.5482 2.5482 3.7034 3.7034 4.0181 4.0181 4.2163 4.2163 4.4209 4.4209 4.9092 4.9092 5.1628 5.1628 10.9313 10.9313 11.0898 11.0898 11.4784 11.4784 12.1587 12.1587 12.2256 12.2256 k = 0.0000 0.0658 0.2874 ( 5238 PWs) bands (ev): -27.5992 -27.5992 -27.5603 -27.5603 -16.5237 -16.5237 -16.2211 -16.2211 -10.3816 -10.3816 -10.3363 -10.3363 -9.3324 -9.3324 -9.2699 -9.2699 -9.1881 -9.1881 -9.1350 -9.1350 -7.7702 -7.7702 -7.4382 -7.4382 1.4732 1.4732 1.6203 1.6203 1.6208 1.6208 1.9006 1.9006 2.4922 2.4922 2.5447 2.5447 3.6921 3.6921 3.9782 3.9782 4.2124 4.2124 4.4549 4.4549 4.9082 4.9082 5.1546 5.1546 10.9530 10.9530 11.1138 11.1138 11.4983 11.4983 12.1563 12.1563 12.2213 12.2213 k = 0.0000 0.0789 0.2874 ( 5236 PWs) bands (ev): -27.5989 -27.5989 -27.5603 -27.5603 -16.5233 -16.5233 -16.2237 -16.2237 -10.3860 -10.3860 -10.3324 -10.3324 -9.3393 -9.3393 -9.2658 -9.2658 -9.1917 -9.1917 -9.1305 -9.1305 -7.7657 -7.7657 -7.4366 -7.4366 1.4791 1.4791 1.6235 1.6235 1.6239 1.6239 1.9009 1.9009 2.4878 2.4878 2.5405 2.5405 3.6779 3.6779 3.9371 3.9371 4.2100 4.2100 4.4869 4.4869 4.9075 4.9075 5.1448 5.1448 10.9783 10.9783 11.1423 11.1423 11.5229 11.5229 12.1520 12.1520 12.2163 12.2163 k = 0.0000 0.0921 0.2874 ( 5240 PWs) bands (ev): -27.5984 -27.5984 -27.5603 -27.5603 -16.5228 -16.5228 -16.2267 -16.2267 -10.3903 -10.3903 -10.3286 -10.3286 -9.3460 -9.3460 -9.2624 -9.2624 -9.1947 -9.1947 -9.1265 -9.1265 -7.7604 -7.7604 -7.4348 -7.4348 1.4860 1.4860 1.6269 1.6269 1.6278 1.6278 1.9013 1.9013 2.4823 2.4823 2.5356 2.5356 3.6606 3.6606 3.8962 3.8962 4.2087 4.2087 4.5163 4.5163 4.9073 4.9073 5.1337 5.1337 11.0065 11.0065 11.1745 11.1745 11.5523 11.5523 12.1451 12.1451 12.2109 12.2109 k = 0.0000 0.1053 0.2874 ( 5248 PWs) bands (ev): -27.5979 -27.5979 -27.5603 -27.5603 -16.5222 -16.5222 -16.2301 -16.2301 -10.3944 -10.3944 -10.3252 -10.3252 -9.3526 -9.3526 -9.2597 -9.2597 -9.1972 -9.1972 -9.1228 -9.1228 -7.7543 -7.7543 -7.4327 -7.4327 1.4937 1.4937 1.6309 1.6309 1.6325 1.6325 1.9017 1.9017 2.4758 2.4758 2.5299 2.5299 3.6401 3.6401 3.8563 3.8563 4.2080 4.2080 4.5427 4.5427 4.9079 4.9079 5.1214 5.1214 11.0370 11.0370 11.2098 11.2098 11.5866 11.5866 12.1358 12.1358 12.2052 12.2052 k = 0.0000 0.1184 0.2874 ( 5246 PWs) bands (ev): -27.5973 -27.5973 -27.5603 -27.5603 -16.5215 -16.5215 -16.2339 -16.2339 -10.3983 -10.3983 -10.3219 -10.3219 -9.3590 -9.3590 -9.2577 -9.2577 -9.1990 -9.1990 -9.1196 -9.1196 -7.7474 -7.7474 -7.4305 -7.4305 1.5021 1.5021 1.6354 1.6354 1.6379 1.6379 1.9021 1.9021 2.4682 2.4682 2.5234 2.5234 3.6164 3.6164 3.8182 3.8182 4.2078 4.2078 4.5659 4.5659 4.9094 4.9094 5.1081 5.1081 11.0689 11.0689 11.2471 11.2471 11.6257 11.6257 12.1245 12.1245 12.1994 12.1994 k = 0.0000 0.1316 0.2874 ( 5254 PWs) bands (ev): -27.5967 -27.5967 -27.5603 -27.5603 -16.5207 -16.5207 -16.2381 -16.2381 -10.4019 -10.4019 -10.3190 -10.3190 -9.3651 -9.3651 -9.2564 -9.2564 -9.2002 -9.2002 -9.1170 -9.1170 -7.7397 -7.7397 -7.4280 -7.4280 1.5111 1.5111 1.6405 1.6405 1.6440 1.6440 1.9026 1.9026 2.4595 2.4595 2.5160 2.5160 3.5896 3.5896 3.7822 3.7822 4.2081 4.2081 4.5855 4.5855 4.9122 4.9122 5.0941 5.0941 11.1016 11.1016 11.2854 11.2854 11.6697 11.6697 12.1120 12.1120 12.1939 12.1939 k = 0.0000 0.1447 0.2874 ( 5256 PWs) bands (ev): -27.5960 -27.5960 -27.5603 -27.5603 -16.5198 -16.5198 -16.2428 -16.2428 -10.4053 -10.4053 -10.3164 -10.3164 -9.3709 -9.3709 -9.2559 -9.2559 -9.2008 -9.2008 -9.1150 -9.1150 -7.7314 -7.7314 -7.4253 -7.4253 1.5206 1.5206 1.6462 1.6462 1.6508 1.6508 1.9030 1.9030 2.4498 2.4498 2.5075 2.5075 3.5603 3.5603 3.7483 3.7483 4.2089 4.2089 4.6014 4.6014 4.9161 4.9161 5.0795 5.0795 11.1343 11.1343 11.3233 11.3233 11.7181 11.7181 12.0995 12.0995 12.1886 12.1886 k = 0.0000 0.1579 0.2874 ( 5248 PWs) bands (ev): -27.5952 -27.5952 -27.5603 -27.5603 -16.5188 -16.5188 -16.2477 -16.2477 -10.4084 -10.4084 -10.3141 -10.3141 -9.3763 -9.3763 -9.2559 -9.2559 -9.2009 -9.2009 -9.1137 -9.1137 -7.7223 -7.7223 -7.4225 -7.4225 1.5306 1.5306 1.6524 1.6524 1.6584 1.6584 1.9035 1.9035 2.4390 2.4390 2.4979 2.4979 3.5292 3.5292 3.7164 3.7164 4.2102 4.2102 4.6138 4.6138 4.9211 4.9211 5.0647 5.0647 11.1667 11.1667 11.3591 11.3591 11.7708 11.7708 12.0886 12.0886 12.1840 12.1840 k = 0.0000 0.1711 0.2874 ( 5252 PWs) bands (ev): -27.5944 -27.5944 -27.5603 -27.5603 -16.5176 -16.5176 -16.2531 -16.2531 -10.4112 -10.4112 -10.3121 -10.3121 -9.3813 -9.3813 -9.2563 -9.2563 -9.2007 -9.2007 -9.1131 -9.1131 -7.7126 -7.7126 -7.4195 -7.4195 1.5407 1.5407 1.6591 1.6591 1.6667 1.6667 1.9038 1.9038 2.4272 2.4272 2.4870 2.4870 3.4971 3.4971 3.6860 3.6860 4.2120 4.2120 4.6227 4.6227 4.9269 4.9269 5.0499 5.0499 11.1981 11.1981 11.3911 11.3911 11.8270 11.8270 12.0808 12.0808 12.1801 12.1801 k = 0.0000 0.1842 0.2874 ( 5252 PWs) bands (ev): -27.5936 -27.5936 -27.5603 -27.5603 -16.5164 -16.5164 -16.2587 -16.2587 -10.4136 -10.4136 -10.3105 -10.3105 -9.3858 -9.3858 -9.2571 -9.2571 -9.2002 -9.2002 -9.1132 -9.1132 -7.7023 -7.7023 -7.4164 -7.4164 1.5511 1.5511 1.6665 1.6665 1.6758 1.6758 1.9042 1.9042 2.4144 2.4144 2.4746 2.4746 3.4651 3.4651 3.6569 3.6569 4.2143 4.2143 4.6285 4.6285 4.9328 4.9328 5.0355 5.0355 11.2283 11.2283 11.4178 11.4178 11.8861 11.8861 12.0775 12.0775 12.1771 12.1771 k = 0.0000 0.1974 0.2874 ( 5252 PWs) bands (ev): -27.5927 -27.5927 -27.5603 -27.5603 -16.5149 -16.5149 -16.2647 -16.2647 -10.4157 -10.4157 -10.3093 -10.3093 -9.3897 -9.3897 -9.2581 -9.2581 -9.1997 -9.1997 -9.1141 -9.1141 -7.6913 -7.6913 -7.4133 -7.4133 1.5615 1.5615 1.6743 1.6743 1.6857 1.6857 1.9045 1.9045 2.4007 2.4007 2.4606 2.4606 3.4338 3.4338 3.6286 3.6286 4.2171 4.2171 4.6317 4.6317 4.9381 4.9381 5.0223 5.0223 11.2569 11.2569 11.4376 11.4376 11.9472 11.9472 12.0795 12.0795 12.1754 12.1754 k = 0.0000 0.2105 0.2874 ( 5264 PWs) bands (ev): -27.5917 -27.5917 -27.5604 -27.5604 -16.5134 -16.5134 -16.2709 -16.2709 -10.4175 -10.4175 -10.3084 -10.3084 -9.3932 -9.3932 -9.2591 -9.2591 -9.1991 -9.1991 -9.1157 -9.1157 -7.6799 -7.6799 -7.4101 -7.4101 1.5719 1.5719 1.6827 1.6827 1.6962 1.6962 1.9046 1.9046 2.3862 2.3862 2.4448 2.4448 3.4039 3.4039 3.6009 3.6009 4.2204 4.2204 4.6325 4.6325 4.9414 4.9414 5.0112 5.0112 11.2838 11.2838 11.4500 11.4500 12.0093 12.0093 12.0873 12.0873 12.1749 12.1749 k = 0.0000 0.2237 0.2874 ( 5260 PWs) bands (ev): -27.5908 -27.5908 -27.5604 -27.5604 -16.5117 -16.5117 -16.2774 -16.2774 -10.4188 -10.4188 -10.3078 -10.3078 -9.3960 -9.3960 -9.2602 -9.2602 -9.1986 -9.1986 -9.1181 -9.1181 -7.6680 -7.6680 -7.4070 -7.4070 1.5823 1.5823 1.6917 1.6917 1.7074 1.7074 1.9047 1.9047 2.3709 2.3709 2.4274 2.4274 3.3760 3.3760 3.5739 3.5739 4.2242 4.2242 4.6315 4.6315 4.9413 4.9413 5.0035 5.0035 11.3086 11.3086 11.4550 11.4550 12.0702 12.0702 12.1011 12.1011 12.1761 12.1761 k = 0.0000 0.2368 0.2874 ( 5264 PWs) bands (ev): -27.5898 -27.5898 -27.5605 -27.5605 -16.5098 -16.5098 -16.2841 -16.2841 -10.4198 -10.4198 -10.3077 -10.3077 -9.3982 -9.3982 -9.2612 -9.2612 -9.1983 -9.1983 -9.1212 -9.1212 -7.6556 -7.6556 -7.4038 -7.4038 1.5927 1.5927 1.7011 1.7011 1.7192 1.7192 1.9047 1.9047 2.3549 2.3549 2.4083 2.4083 3.3503 3.3503 3.5475 3.5475 4.2285 4.2285 4.6288 4.6288 4.9367 4.9367 5.0000 5.0000 11.3313 11.3313 11.4536 11.4536 12.1103 12.1103 12.1377 12.1377 12.1795 12.1795 k = 0.0000 0.2500 0.2874 ( 5268 PWs) bands (ev): -27.5887 -27.5887 -27.5606 -27.5606 -16.5078 -16.5078 -16.2910 -16.2910 -10.4204 -10.4204 -10.3079 -10.3079 -9.3999 -9.3999 -9.2622 -9.2622 -9.1981 -9.1981 -9.1251 -9.1251 -7.6429 -7.6429 -7.4008 -7.4008 1.6030 1.6030 1.7110 1.7110 1.7314 1.7314 1.9045 1.9045 2.3381 2.3381 2.3875 2.3875 3.3271 3.3271 3.5218 3.5218 4.2334 4.2334 4.6248 4.6248 4.9285 4.9285 4.9999 4.9999 11.3518 11.3518 11.4471 11.4471 12.1295 12.1295 12.1787 12.1787 12.2014 12.2014 k = 0.0000 0.2632 0.2874 ( 5270 PWs) bands (ev): -27.5877 -27.5877 -27.5607 -27.5607 -16.5056 -16.5056 -16.2981 -16.2981 -10.4206 -10.4206 -10.3085 -10.3085 -9.4008 -9.4008 -9.2631 -9.2631 -9.1982 -9.1982 -9.1296 -9.1296 -7.6299 -7.6299 -7.3980 -7.3980 1.6132 1.6132 1.7215 1.7215 1.7439 1.7439 1.9041 1.9041 2.3207 2.3207 2.3653 2.3653 3.3066 3.3066 3.4968 3.4968 4.2388 4.2388 4.6197 4.6197 4.9183 4.9183 5.0014 5.0014 11.3699 11.3699 11.4370 11.4370 12.1475 12.1475 12.1873 12.1873 12.2566 12.2566 k = 0.0000 0.2763 0.2874 ( 5258 PWs) bands (ev): -27.5866 -27.5866 -27.5609 -27.5609 -16.5032 -16.5032 -16.3053 -16.3053 -10.4204 -10.4204 -10.3094 -10.3094 -9.4011 -9.4011 -9.2639 -9.2639 -9.1984 -9.1984 -9.1348 -9.1348 -7.6167 -7.6167 -7.3953 -7.3953 1.6235 1.6235 1.7323 1.7323 1.7567 1.7567 1.9035 1.9035 2.3025 2.3025 2.3420 2.3420 3.2887 3.2887 3.4726 3.4726 4.2446 4.2446 4.6135 4.6135 4.9075 4.9075 5.0031 5.0031 11.3854 11.3854 11.4245 11.4245 12.1646 12.1646 12.1957 12.1957 12.3108 12.3108 k = 0.0000 0.2895 0.2874 ( 5258 PWs) bands (ev): -27.5855 -27.5855 -27.5611 -27.5611 -16.5006 -16.5006 -16.3127 -16.3127 -10.4197 -10.4197 -10.3107 -10.3107 -9.4007 -9.4007 -9.2645 -9.2645 -9.1989 -9.1989 -9.1406 -9.1406 -7.6033 -7.6033 -7.3928 -7.3928 1.6337 1.6337 1.7437 1.7437 1.7694 1.7694 1.9027 1.9027 2.2834 2.2834 2.3178 2.3178 3.2734 3.2734 3.4495 3.4495 4.2510 4.2510 4.6064 4.6064 4.8970 4.8970 5.0044 5.0044 11.3982 11.3982 11.4111 11.4111 12.1805 12.1805 12.2059 12.2059 12.3612 12.3612 k = 0.0000 0.3026 0.2874 ( 5258 PWs) bands (ev): -27.5844 -27.5844 -27.5613 -27.5613 -16.4978 -16.4978 -16.3201 -16.3201 -10.4187 -10.4187 -10.3124 -10.3124 -9.3996 -9.3996 -9.2651 -9.2651 -9.1995 -9.1995 -9.1470 -9.1470 -7.5898 -7.5898 -7.3907 -7.3907 1.6441 1.6441 1.7555 1.7555 1.7822 1.7822 1.9017 1.9017 2.2633 2.2633 2.2934 2.2934 3.2605 3.2605 3.4274 3.4274 4.2578 4.2578 4.5984 4.5984 4.8871 4.8871 5.0047 5.0047 11.3963 11.3963 11.4094 11.4094 12.1954 12.1954 12.2178 12.2178 12.4068 12.4068 k = 0.0000 0.3158 0.2874 ( 5256 PWs) bands (ev): -27.5833 -27.5833 -27.5615 -27.5615 -16.4948 -16.4948 -16.3277 -16.3277 -10.4174 -10.4174 -10.3144 -10.3144 -9.3979 -9.3979 -9.2656 -9.2656 -9.2004 -9.2004 -9.1538 -9.1538 -7.5764 -7.5764 -7.3889 -7.3889 1.6545 1.6545 1.7676 1.7676 1.7947 1.7947 1.9004 1.9004 2.2418 2.2418 2.2693 2.2693 3.2500 3.2500 3.4066 3.4066 4.2652 4.2652 4.5895 4.5895 4.8784 4.8784 5.0039 5.0039 11.3829 11.3829 11.4171 11.4171 12.2096 12.2096 12.2316 12.2316 12.4469 12.4469 k = 0.0000 0.3289 0.2874 ( 5252 PWs) bands (ev): -27.5822 -27.5822 -27.5618 -27.5618 -16.4915 -16.4915 -16.3353 -16.3353 -10.4156 -10.4156 -10.3167 -10.3167 -9.3955 -9.3955 -9.2661 -9.2661 -9.2015 -9.2015 -9.1610 -9.1610 -7.5629 -7.5629 -7.3874 -7.3874 1.6650 1.6650 1.7802 1.7802 1.8071 1.8071 1.8987 1.8987 2.2187 2.2187 2.2463 2.2463 3.2415 3.2415 3.3870 3.3870 4.2730 4.2730 4.5799 4.5799 4.8709 4.8709 5.0018 5.0018 11.3703 11.3703 11.4225 11.4225 12.2232 12.2232 12.2472 12.2472 12.4810 12.4810 k = 0.0000 0.3421 0.2874 ( 5248 PWs) bands (ev): -27.5811 -27.5811 -27.5621 -27.5621 -16.4881 -16.4881 -16.3429 -16.3429 -10.4135 -10.4135 -10.3194 -10.3194 -9.3924 -9.3924 -9.2666 -9.2666 -9.2027 -9.2027 -9.1684 -9.1684 -7.5496 -7.5496 -7.3864 -7.3864 1.6758 1.6758 1.7930 1.7930 1.8192 1.8192 1.8968 1.8968 2.1941 2.1941 2.2244 2.2244 3.2349 3.2349 3.3688 3.3688 4.2813 4.2813 4.5695 4.5695 4.8648 4.8648 4.9986 4.9986 11.3588 11.3588 11.4256 11.4256 12.2365 12.2365 12.2650 12.2650 12.5086 12.5086 k = 0.0000 0.3553 0.2874 ( 5240 PWs) bands (ev): -27.5800 -27.5800 -27.5625 -27.5625 -16.4844 -16.4844 -16.3505 -16.3505 -10.4111 -10.4111 -10.3224 -10.3224 -9.3886 -9.3886 -9.2671 -9.2671 -9.2041 -9.2041 -9.1761 -9.1761 -7.5365 -7.5365 -7.3859 -7.3859 1.6867 1.6867 1.8061 1.8061 1.8310 1.8310 1.8946 1.8946 2.1686 2.1686 2.2034 2.2034 3.2300 3.2300 3.3520 3.3520 4.2900 4.2900 4.5583 4.5583 4.8602 4.8602 4.9942 4.9942 11.3490 11.3490 11.4264 11.4264 12.2496 12.2496 12.2849 12.2849 12.5297 12.5297 k = 0.0000 0.3684 0.2874 ( 5242 PWs) bands (ev): -27.5789 -27.5789 -27.5629 -27.5629 -16.4805 -16.4805 -16.3582 -16.3582 -10.4083 -10.4083 -10.3256 -10.3256 -9.3843 -9.3843 -9.2679 -9.2679 -9.2056 -9.2056 -9.1837 -9.1837 -7.5236 -7.5236 -7.3859 -7.3859 1.6979 1.6979 1.8193 1.8193 1.8426 1.8426 1.8920 1.8920 2.1428 2.1428 2.1830 2.1830 3.2266 3.2266 3.3366 3.3366 4.2992 4.2992 4.5466 4.5466 4.8571 4.8571 4.9886 4.9886 11.3408 11.3408 11.4251 11.4251 12.2629 12.2629 12.3072 12.3072 12.5440 12.5440 k = 0.0000 0.3816 0.2874 ( 5240 PWs) bands (ev): -27.5778 -27.5778 -27.5633 -27.5633 -16.4764 -16.4764 -16.3657 -16.3657 -10.4052 -10.4052 -10.3291 -10.3291 -9.3793 -9.3793 -9.2690 -9.2690 -9.2073 -9.2073 -9.1911 -9.1911 -7.5111 -7.5111 -7.3864 -7.3864 1.7093 1.7093 1.8323 1.8323 1.8540 1.8540 1.8892 1.8892 2.1173 2.1173 2.1630 2.1630 3.2245 3.2245 3.3224 3.3224 4.3088 4.3088 4.5343 4.5343 4.8556 4.8556 4.9820 4.9820 11.3344 11.3344 11.4220 11.4220 12.2767 12.2767 12.3316 12.3316 12.5519 12.5519 k = 0.0000 0.3947 0.2874 ( 5242 PWs) bands (ev): -27.5767 -27.5767 -27.5638 -27.5638 -16.4721 -16.4721 -16.3732 -16.3732 -10.4018 -10.4018 -10.3328 -10.3328 -9.3738 -9.3738 -9.2706 -9.2706 -9.2090 -9.2090 -9.1982 -9.1982 -7.4989 -7.4989 -7.3876 -7.3876 1.7210 1.7210 1.8447 1.8447 1.8653 1.8653 1.8866 1.8866 2.0924 2.0924 2.1433 2.1433 3.2236 3.2236 3.3096 3.3096 4.3189 4.3189 4.5215 4.5215 4.8556 4.8556 4.9745 4.9745 11.3299 11.3299 11.4172 11.4172 12.2911 12.2911 12.3581 12.3581 12.5540 12.5540 k = 0.0000 0.4079 0.2874 ( 5242 PWs) bands (ev): -27.5757 -27.5757 -27.5643 -27.5643 -16.4675 -16.4675 -16.3807 -16.3807 -10.3982 -10.3982 -10.3368 -10.3368 -9.3677 -9.3677 -9.2729 -9.2729 -9.2108 -9.2108 -9.2046 -9.2046 -7.4872 -7.4872 -7.3894 -7.3894 1.7329 1.7329 1.8554 1.8554 1.8753 1.8753 1.8864 1.8864 2.0685 2.0685 2.1237 2.1237 3.2236 3.2236 3.2981 3.2981 4.3294 4.3294 4.5084 4.5084 4.8571 4.8571 4.9663 4.9663 11.3272 11.3272 11.4111 11.4111 12.3063 12.3063 12.3865 12.3865 12.5509 12.5509 k = 0.0000 0.4211 0.2874 ( 5256 PWs) bands (ev): -27.5746 -27.5746 -27.5648 -27.5648 -16.4626 -16.4626 -16.3880 -16.3880 -10.3944 -10.3944 -10.3409 -10.3409 -9.3611 -9.3611 -9.2762 -9.2762 -9.2126 -9.2126 -9.2100 -9.2100 -7.4760 -7.4760 -7.3918 -7.3918 1.7450 1.7450 1.8616 1.8616 1.8805 1.8805 1.8949 1.8949 2.0458 2.0458 2.1044 2.1044 3.2245 3.2245 3.2876 3.2876 4.3403 4.3403 4.4950 4.4950 4.8599 4.8599 4.9574 4.9574 11.3264 11.3264 11.4039 11.4039 12.3225 12.3225 12.4167 12.4167 12.5437 12.5437 k = 0.0000 0.4342 0.2874 ( 5248 PWs) bands (ev): -27.5736 -27.5736 -27.5654 -27.5654 -16.4576 -16.4576 -16.3952 -16.3952 -10.3903 -10.3903 -10.3452 -10.3452 -9.3541 -9.3541 -9.2804 -9.2804 -9.2148 -9.2148 -9.2138 -9.2138 -7.4653 -7.4653 -7.3949 -7.3949 1.7574 1.7574 1.8606 1.8606 1.8872 1.8872 1.9082 1.9082 2.0247 2.0247 2.0852 2.0852 3.2262 3.2262 3.2783 3.2783 4.3516 4.3516 4.4814 4.4814 4.8640 4.8640 4.9480 4.9480 11.3272 11.3272 11.3958 11.3958 12.3395 12.3395 12.4477 12.4477 12.5340 12.5340 k = 0.0000 0.4474 0.2874 ( 5248 PWs) bands (ev): -27.5727 -27.5727 -27.5661 -27.5661 -16.4523 -16.4523 -16.4023 -16.4023 -10.3861 -10.3861 -10.3496 -10.3496 -9.3467 -9.3467 -9.2857 -9.2857 -9.2177 -9.2177 -9.2158 -9.2158 -7.4552 -7.4552 -7.3988 -7.3988 1.7698 1.7698 1.8554 1.8554 1.8962 1.8962 1.9228 1.9228 2.0053 2.0053 2.0663 2.0663 3.2286 3.2286 3.2699 3.2699 4.3633 4.3633 4.4677 4.4677 4.8693 4.8693 4.9384 4.9384 11.3297 11.3297 11.3872 11.3872 12.3575 12.3575 12.4756 12.4756 12.5261 12.5261 k = 0.0000 0.4605 0.2874 ( 5240 PWs) bands (ev): -27.5717 -27.5717 -27.5668 -27.5668 -16.4468 -16.4468 -16.4092 -16.4092 -10.3817 -10.3817 -10.3541 -10.3541 -9.3389 -9.3389 -9.2921 -9.2921 -9.2197 -9.2197 -9.2174 -9.2174 -7.4457 -7.4457 -7.4033 -7.4033 1.7823 1.7823 1.8480 1.8480 1.9059 1.9059 1.9376 1.9376 1.9883 1.9883 2.0477 2.0477 3.2317 3.2317 3.2624 3.2624 4.3754 4.3754 4.4540 4.4540 4.8757 4.8757 4.9285 4.9285 11.3337 11.3337 11.3784 11.3784 12.3762 12.3762 12.4840 12.4840 12.5374 12.5374 k = 0.0000 0.4737 0.2874 ( 5248 PWs) bands (ev): -27.5708 -27.5708 -27.5675 -27.5675 -16.4410 -16.4410 -16.4159 -16.4159 -10.3772 -10.3772 -10.3587 -10.3587 -9.3310 -9.3310 -9.2991 -9.2991 -9.2208 -9.2208 -9.2188 -9.2188 -7.4369 -7.4369 -7.4086 -7.4086 1.7947 1.7947 1.8393 1.8393 1.9161 1.9161 1.9498 1.9498 1.9762 1.9762 2.0294 2.0294 3.2353 3.2353 3.2556 3.2556 4.3878 4.3878 4.4404 4.4404 4.8830 4.8830 4.9187 4.9187 11.3390 11.3390 11.3695 11.3695 12.3955 12.3955 12.4719 12.4719 12.5692 12.5692 k = 0.0000 0.4868 0.2874 ( 5258 PWs) bands (ev): -27.5699 -27.5699 -27.5683 -27.5683 -16.4351 -16.4351 -16.4225 -16.4225 -10.3727 -10.3727 -10.3634 -10.3634 -9.3229 -9.3229 -9.3068 -9.3068 -9.2211 -9.2211 -9.2200 -9.2200 -7.4287 -7.4287 -7.4146 -7.4146 1.8068 1.8068 1.8293 1.8293 1.9268 1.9268 1.9486 1.9486 1.9798 1.9798 2.0116 2.0116 3.2395 3.2395 3.2496 3.2496 4.4006 4.4006 4.4269 4.4269 4.8911 4.8911 4.9091 4.9091 11.3454 11.3454 11.3609 11.3609 12.4153 12.4153 12.4543 12.4543 12.6068 12.6068 k = 0.0000 0.5000 0.2874 ( 5264 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3680 -10.3680 -10.3680 -10.3680 -9.3148 -9.3148 -9.3148 -9.3148 -9.2207 -9.2207 -9.2207 -9.2207 -7.4213 -7.4213 -7.4213 -7.4213 1.8184 1.8184 1.8184 1.8184 1.9380 1.9380 1.9380 1.9380 1.9945 1.9945 1.9945 1.9945 3.2442 3.2442 3.2442 3.2442 4.4136 4.4136 4.4136 4.4136 4.8999 4.8999 4.8999 4.8999 11.3528 11.3528 11.3528 11.3528 12.4350 12.4350 12.4350 12.4350 12.6465 12.6465 k = 0.0000 0.5000 0.2874 ( 5264 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3680 -10.3680 -10.3680 -10.3680 -9.3148 -9.3148 -9.3148 -9.3148 -9.2207 -9.2207 -9.2207 -9.2207 -7.4213 -7.4213 -7.4213 -7.4213 1.8184 1.8184 1.8184 1.8184 1.9380 1.9380 1.9380 1.9380 1.9945 1.9945 1.9945 1.9945 3.2442 3.2442 3.2442 3.2442 4.4136 4.4136 4.4136 4.4136 4.8999 4.8999 4.8999 4.8999 11.3528 11.3528 11.3528 11.3528 12.4350 12.4350 12.4350 12.4350 12.6465 12.6465 k = 0.0132 0.5000 0.2874 ( 5256 PWs) bands (ev): -27.5690 -27.5690 -27.5690 -27.5690 -16.4291 -16.4291 -16.4288 -16.4288 -10.3714 -10.3714 -10.3646 -10.3646 -9.3156 -9.3156 -9.3140 -9.3140 -9.2251 -9.2251 -9.2160 -9.2160 -7.4215 -7.4215 -7.4215 -7.4215 1.8157 1.8157 1.8189 1.8189 1.9181 1.9181 1.9372 1.9372 1.9985 1.9985 2.0148 2.0148 3.2438 3.2438 3.2455 3.2455 4.4046 4.4046 4.4203 4.4203 4.8938 4.8938 4.9043 4.9043 11.3551 11.3551 11.3565 11.3565 12.4332 12.4332 12.4383 12.4383 12.6433 12.6433 k = 0.0263 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5690 -27.5690 -27.5690 -27.5690 -16.4295 -16.4295 -16.4289 -16.4289 -10.3748 -10.3748 -10.3611 -10.3611 -9.3164 -9.3164 -9.3134 -9.3134 -9.2290 -9.2290 -9.2110 -9.2110 -7.4221 -7.4221 -7.4221 -7.4221 1.8099 1.8099 1.8162 1.8162 1.8952 1.8952 1.9204 1.9204 2.0225 2.0225 2.0424 2.0424 3.2441 3.2441 3.2476 3.2476 4.3933 4.3933 4.4246 4.4246 4.8861 4.8861 4.9070 4.9070 11.3634 11.3634 11.3663 11.3663 12.4329 12.4329 12.4430 12.4430 12.6421 12.6421 k = 0.0395 0.5000 0.2874 ( 5236 PWs) bands (ev): -27.5689 -27.5689 -27.5689 -27.5689 -16.4301 -16.4301 -16.4291 -16.4291 -10.3781 -10.3781 -10.3577 -10.3577 -9.3172 -9.3172 -9.3131 -9.3131 -9.2323 -9.2323 -9.2058 -9.2058 -7.4231 -7.4231 -7.4230 -7.4230 1.7996 1.7996 1.8078 1.8078 1.8771 1.8771 1.9044 1.9044 2.0514 2.0514 2.0720 2.0720 3.2451 3.2451 3.2505 3.2505 4.3798 4.3798 4.4266 4.4266 4.8769 4.8769 4.9080 4.9080 11.3776 11.3776 11.3819 11.3819 12.4342 12.4342 12.4490 12.4490 12.6432 12.6432 k = 0.0526 0.5000 0.2874 ( 5240 PWs) bands (ev): -27.5688 -27.5688 -27.5688 -27.5688 -16.4309 -16.4309 -16.4296 -16.4296 -10.3814 -10.3814 -10.3543 -10.3543 -9.3177 -9.3177 -9.3133 -9.3133 -9.2347 -9.2347 -9.2006 -9.2006 -7.4244 -7.4244 -7.4244 -7.4244 1.7838 1.7838 1.7911 1.7911 1.8677 1.8677 1.8940 1.8940 2.0813 2.0813 2.1023 2.1023 3.2468 3.2468 3.2542 3.2542 4.3642 4.3642 4.4264 4.4264 4.8661 4.8661 4.9074 4.9074 11.3976 11.3976 11.4033 11.4033 12.4370 12.4370 12.4562 12.4562 12.6466 12.6466 k = 0.0658 0.5000 0.2874 ( 5240 PWs) bands (ev): -27.5686 -27.5686 -27.5686 -27.5686 -16.4318 -16.4318 -16.4302 -16.4302 -10.3845 -10.3845 -10.3510 -10.3510 -9.3181 -9.3181 -9.3140 -9.3140 -9.2362 -9.2362 -9.1953 -9.1953 -7.4262 -7.4262 -7.4261 -7.4261 1.7629 1.7629 1.7679 1.7679 1.8658 1.8658 1.8895 1.8895 2.1114 2.1114 2.1327 2.1327 3.2490 3.2490 3.2586 3.2586 4.3467 4.3467 4.4242 4.4242 4.8539 4.8539 4.9051 4.9051 11.4231 11.4231 11.4302 11.4302 12.4412 12.4412 12.4644 12.4644 12.6523 12.6523 k = 0.0789 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5684 -27.5684 -27.5684 -27.5684 -16.4328 -16.4328 -16.4309 -16.4309 -10.3875 -10.3875 -10.3477 -10.3477 -9.3183 -9.3183 -9.3154 -9.3154 -9.2368 -9.2368 -9.1902 -9.1902 -7.4283 -7.4283 -7.4282 -7.4282 1.7387 1.7387 1.7416 1.7416 1.8681 1.8681 1.8896 1.8896 2.1412 2.1412 2.1627 2.1627 3.2517 3.2517 3.2636 3.2636 4.3274 4.3274 4.4199 4.4199 4.8405 4.8405 4.9013 4.9013 11.4539 11.4539 11.4623 11.4623 12.4469 12.4469 12.4735 12.4735 12.6606 12.6606 k = 0.0921 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5682 -27.5682 -27.5682 -27.5682 -16.4340 -16.4340 -16.4318 -16.4318 -10.3904 -10.3904 -10.3446 -10.3446 -9.3182 -9.3182 -9.3173 -9.3173 -9.2363 -9.2363 -9.1852 -9.1852 -7.4308 -7.4308 -7.4307 -7.4307 1.7129 1.7129 1.7143 1.7143 1.8730 1.8730 1.8929 1.8929 2.1705 2.1705 2.1923 2.1923 3.2548 3.2548 3.2693 3.2693 4.3066 4.3066 4.4140 4.4140 4.8258 4.8258 4.8960 4.8960 11.4895 11.4895 11.4992 11.4992 12.4539 12.4539 12.4833 12.4833 12.6714 12.6714 k = 0.1053 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5679 -27.5679 -27.5679 -27.5679 -16.4353 -16.4353 -16.4329 -16.4329 -10.3931 -10.3931 -10.3416 -10.3416 -9.3197 -9.3197 -9.3178 -9.3178 -9.2349 -9.2349 -9.1803 -9.1803 -7.4336 -7.4336 -7.4335 -7.4335 1.6864 1.6864 1.6869 1.6869 1.8796 1.8796 1.8984 1.8984 2.1991 2.1991 2.2211 2.2211 3.2581 3.2581 3.2754 3.2754 4.2846 4.2846 4.4065 4.4065 4.8101 4.8101 4.8892 4.8892 11.5296 11.5296 11.5406 11.5406 12.4622 12.4622 12.4937 12.4937 12.6848 12.6848 k = 0.1184 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5676 -27.5676 -27.5676 -27.5676 -16.4368 -16.4368 -16.4341 -16.4341 -10.3956 -10.3956 -10.3387 -10.3387 -9.3225 -9.3225 -9.3172 -9.3172 -9.2326 -9.2326 -9.1757 -9.1757 -7.4367 -7.4367 -7.4367 -7.4367 1.6599 1.6599 1.6599 1.6599 1.8875 1.8875 1.9057 1.9057 2.2268 2.2268 2.2491 2.2491 3.2614 3.2614 3.2817 3.2817 4.2616 4.2616 4.3978 4.3978 4.7934 4.7934 4.8812 4.8812 11.5737 11.5737 11.5860 11.5860 12.4718 12.4718 12.5047 12.5047 12.7009 12.7009 k = 0.1316 0.5000 0.2874 ( 5248 PWs) bands (ev): -27.5673 -27.5673 -27.5673 -27.5673 -16.4383 -16.4383 -16.4354 -16.4354 -10.3979 -10.3979 -10.3360 -10.3360 -9.3257 -9.3257 -9.3164 -9.3164 -9.2297 -9.2297 -9.1713 -9.1713 -7.4402 -7.4402 -7.4401 -7.4401 1.6335 1.6335 1.6338 1.6338 1.8965 1.8965 1.9143 1.9143 2.2536 2.2536 2.2761 2.2761 3.2645 3.2645 3.2882 3.2882 4.2381 4.2381 4.3882 4.3882 4.7759 4.7759 4.8720 4.8720 11.6211 11.6211 11.6347 11.6347 12.4826 12.4826 12.5163 12.5163 12.7197 12.7197 k = 0.1447 0.5000 0.2874 ( 5236 PWs) bands (ev): -27.5670 -27.5670 -27.5670 -27.5670 -16.4400 -16.4400 -16.4369 -16.4369 -10.4000 -10.4000 -10.3335 -10.3335 -9.3290 -9.3290 -9.3153 -9.3153 -9.2261 -9.2261 -9.1671 -9.1671 -7.4439 -7.4439 -7.4439 -7.4439 1.6080 1.6080 1.6083 1.6083 1.9064 1.9064 1.9241 1.9241 2.2793 2.2793 2.3020 2.3020 3.2673 3.2673 3.2945 3.2945 4.2143 4.2143 4.3779 4.3779 4.7577 4.7577 4.8617 4.8617 11.6713 11.6713 11.6862 11.6862 12.4947 12.4947 12.5287 12.5287 12.7410 12.7410 k = 0.1579 0.5000 0.2874 ( 5248 PWs) bands (ev): -27.5666 -27.5666 -27.5666 -27.5666 -16.4418 -16.4418 -16.4385 -16.4385 -10.4018 -10.4018 -10.3311 -10.3311 -9.3324 -9.3324 -9.3139 -9.3139 -9.2220 -9.2220 -9.1632 -9.1632 -7.4479 -7.4479 -7.4479 -7.4479 1.5834 1.5834 1.5837 1.5837 1.9172 1.9172 1.9348 1.9348 2.3040 2.3040 2.3267 2.3267 3.2696 3.2696 3.3004 3.3004 4.1908 4.1908 4.3673 4.3673 4.7389 4.7389 4.8505 4.8505 11.7235 11.7235 11.7398 11.7398 12.5081 12.5081 12.5421 12.5421 12.7648 12.7648 k = 0.1711 0.5000 0.2874 ( 5256 PWs) bands (ev): -27.5662 -27.5662 -27.5662 -27.5662 -16.4436 -16.4436 -16.4402 -16.4402 -10.4035 -10.4035 -10.3290 -10.3290 -9.3357 -9.3357 -9.3124 -9.3124 -9.2176 -9.2176 -9.1596 -9.1596 -7.4522 -7.4522 -7.4522 -7.4522 1.5599 1.5599 1.5601 1.5601 1.9287 1.9287 1.9463 1.9463 2.3274 2.3274 2.3502 2.3502 3.2710 3.2710 3.3057 3.3057 4.1678 4.1678 4.3568 4.3568 4.7197 4.7197 4.8384 4.8384 11.7769 11.7769 11.7946 11.7946 12.5232 12.5232 12.5569 12.5569 12.7909 12.7909 k = 0.1842 0.5000 0.2874 ( 5252 PWs) bands (ev): -27.5658 -27.5658 -27.5658 -27.5658 -16.4455 -16.4455 -16.4419 -16.4419 -10.4048 -10.4048 -10.3271 -10.3271 -9.3389 -9.3389 -9.3107 -9.3107 -9.2128 -9.2128 -9.1562 -9.1562 -7.4567 -7.4567 -7.4567 -7.4567 1.5375 1.5375 1.5375 1.5375 1.9409 1.9409 1.9585 1.9585 2.3498 2.3498 2.3725 2.3725 3.2715 3.2715 3.3099 3.3099 4.1460 4.1460 4.3466 4.3466 4.7002 4.7002 4.8255 4.8255 11.8306 11.8306 11.8497 11.8497 12.5403 12.5403 12.5737 12.5737 12.8192 12.8192 k = 0.1974 0.5000 0.2874 ( 5244 PWs) bands (ev): -27.5654 -27.5654 -27.5654 -27.5654 -16.4475 -16.4475 -16.4438 -16.4438 -10.4059 -10.4059 -10.3255 -10.3255 -9.3419 -9.3419 -9.3088 -9.3088 -9.2078 -9.2078 -9.1532 -9.1532 -7.4615 -7.4615 -7.4613 -7.4613 1.5160 1.5160 1.5163 1.5163 1.9536 1.9536 1.9712 1.9712 2.3709 2.3709 2.3935 2.3935 3.2708 3.2708 3.3127 3.3127 4.1257 4.1257 4.3372 4.3372 4.6804 4.6804 4.8121 4.8121 11.8835 11.8835 11.9040 11.9040 12.5600 12.5600 12.5932 12.5932 12.8493 12.8493 k = 0.2105 0.5000 0.2874 ( 5252 PWs) bands (ev): -27.5650 -27.5650 -27.5650 -27.5650 -16.4495 -16.4495 -16.4457 -16.4457 -10.4067 -10.4067 -10.3241 -10.3241 -9.3447 -9.3447 -9.3069 -9.3069 -9.2027 -9.2027 -9.1504 -9.1504 -7.4664 -7.4664 -7.4662 -7.4662 1.4957 1.4957 1.4963 1.4963 1.9668 1.9668 1.9844 1.9844 2.3908 2.3908 2.4132 2.4132 3.2688 3.2688 3.3139 3.3139 4.1073 4.1073 4.3286 4.3286 4.6606 4.6606 4.7981 4.7981 11.9346 11.9346 11.9566 11.9566 12.5829 12.5829 12.6160 12.6160 12.8809 12.8809 k = 0.2237 0.5000 0.2874 ( 5248 PWs) bands (ev): -27.5645 -27.5645 -27.5645 -27.5645 -16.4516 -16.4516 -16.4477 -16.4477 -10.4072 -10.4072 -10.3229 -10.3229 -9.3472 -9.3472 -9.3049 -9.3049 -9.1974 -9.1974 -9.1479 -9.1479 -7.4714 -7.4714 -7.4712 -7.4712 1.4766 1.4766 1.4775 1.4775 1.9803 1.9803 1.9980 1.9980 2.4095 2.4095 2.4317 2.4317 3.2653 3.2653 3.3132 3.3132 4.0912 4.0912 4.3212 4.3212 4.6408 4.6408 4.7838 4.7838 11.9827 11.9827 12.0063 12.0063 12.6098 12.6098 12.6429 12.6429 12.9139 12.9139 k = 0.2368 0.5000 0.2874 ( 5248 PWs) bands (ev): -27.5641 -27.5641 -27.5641 -27.5641 -16.4536 -16.4536 -16.4497 -16.4497 -10.4075 -10.4075 -10.3221 -10.3221 -9.3493 -9.3493 -9.3029 -9.3029 -9.1921 -9.1921 -9.1456 -9.1456 -7.4766 -7.4766 -7.4763 -7.4763 1.4588 1.4588 1.4599 1.4599 1.9942 1.9942 2.0119 2.0119 2.4271 2.4271 2.4488 2.4488 3.2603 3.2603 3.3102 3.3102 4.0778 4.0778 4.3152 4.3152 4.6211 4.6211 4.7692 4.7692 12.0271 12.0271 12.0519 12.0519 12.6413 12.6413 12.6744 12.6744 12.9478 12.9478 k = 0.2500 0.5000 0.2874 ( 5256 PWs) bands (ev): -27.5636 -27.5636 -27.5636 -27.5636 -16.4557 -16.4557 -16.4518 -16.4518 -10.4074 -10.4074 -10.3215 -10.3215 -9.3511 -9.3511 -9.3009 -9.3009 -9.1867 -9.1867 -9.1435 -9.1435 -7.4818 -7.4818 -7.4815 -7.4815 1.4422 1.4422 1.4435 1.4435 2.0082 2.0082 2.0258 2.0258 2.4436 2.4436 2.4648 2.4648 3.2536 3.2536 3.3050 3.3050 4.0672 4.0672 4.3106 4.3106 4.6016 4.6016 4.7544 4.7544 12.0670 12.0670 12.0928 12.0928 12.6778 12.6778 12.7109 12.7109 12.9823 12.9823 k = 0.2632 0.5000 0.2874 ( 5252 PWs) bands (ev): -27.5632 -27.5632 -27.5632 -27.5632 -16.4577 -16.4577 -16.4538 -16.4538 -10.4070 -10.4070 -10.3212 -10.3212 -9.3525 -9.3525 -9.2990 -9.2990 -9.1814 -9.1814 -9.1417 -9.1417 -7.4871 -7.4871 -7.4867 -7.4867 1.4268 1.4268 1.4284 1.4284 2.0224 2.0224 2.0398 2.0398 2.4589 2.4589 2.4796 2.4796 3.2454 3.2454 3.2973 3.2973 4.0597 4.0597 4.3074 4.3074 4.5826 4.5826 4.7395 4.7395 12.1021 12.1021 12.1286 12.1286 12.7191 12.7191 12.7519 12.7519 13.0169 13.0169 k = 0.2763 0.5000 0.2874 ( 5260 PWs) bands (ev): -27.5627 -27.5627 -27.5627 -27.5627 -16.4598 -16.4598 -16.4559 -16.4559 -10.4064 -10.4064 -10.3212 -10.3212 -9.3535 -9.3535 -9.2973 -9.2973 -9.1762 -9.1762 -9.1400 -9.1400 -7.4924 -7.4924 -7.4920 -7.4920 1.4126 1.4126 1.4145 1.4145 2.0365 2.0365 2.0538 2.0538 2.4732 2.4732 2.4933 2.4933 3.2357 3.2357 3.2874 3.2874 4.0551 4.0551 4.3056 4.3056 4.5640 4.5640 4.7246 4.7246 12.1324 12.1324 12.1592 12.1592 12.7643 12.7643 12.7964 12.7964 13.0511 13.0511 k = 0.2895 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5623 -27.5623 -27.5623 -27.5623 -16.4617 -16.4617 -16.4580 -16.4580 -10.4054 -10.4054 -10.3216 -10.3216 -9.3541 -9.3541 -9.2958 -9.2958 -9.1711 -9.1711 -9.1385 -9.1385 -7.4976 -7.4976 -7.4972 -7.4972 1.3997 1.3997 1.4018 1.4018 2.0506 2.0506 2.0676 2.0676 2.4865 2.4865 2.5059 2.5059 3.2247 3.2247 3.2753 3.2753 4.0535 4.0535 4.3051 4.3051 4.5461 4.5461 4.7098 4.7098 12.1584 12.1584 12.1851 12.1851 12.8117 12.8117 12.8421 12.8421 13.0840 13.0840 k = 0.3026 0.5000 0.2874 ( 5276 PWs) bands (ev): -27.5619 -27.5619 -27.5619 -27.5619 -16.4637 -16.4637 -16.4600 -16.4600 -10.4042 -10.4042 -10.3222 -10.3222 -9.3543 -9.3543 -9.2946 -9.2946 -9.1661 -9.1661 -9.1370 -9.1370 -7.5028 -7.5028 -7.5023 -7.5023 1.3880 1.3880 1.3902 1.3902 2.0644 2.0644 2.0810 2.0810 2.4988 2.4988 2.5174 2.5174 3.2126 3.2126 3.2614 3.2614 4.0546 4.0546 4.3057 4.3057 4.5291 4.5291 4.6951 4.6951 12.1807 12.1807 12.2070 12.2070 12.8580 12.8580 12.8849 12.8849 13.1139 13.1139 k = 0.3158 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5615 -27.5615 -27.5615 -27.5615 -16.4655 -16.4655 -16.4620 -16.4620 -10.4027 -10.4027 -10.3231 -10.3231 -9.3541 -9.3541 -9.2936 -9.2936 -9.1613 -9.1613 -9.1357 -9.1357 -7.5079 -7.5079 -7.5074 -7.5074 1.3774 1.3774 1.3798 1.3798 2.0779 2.0779 2.0942 2.0942 2.5103 2.5103 2.5280 2.5280 3.1995 3.1995 3.2459 3.2459 4.0581 4.0581 4.3069 4.3069 4.5131 4.5131 4.6806 4.6806 12.2000 12.2000 12.2257 12.2257 12.8981 12.8981 12.9188 12.9188 13.1390 13.1390 k = 0.3289 0.5000 0.2874 ( 5268 PWs) bands (ev): -27.5611 -27.5611 -27.5611 -27.5611 -16.4673 -16.4673 -16.4639 -16.4639 -10.4009 -10.4009 -10.3243 -10.3243 -9.3535 -9.3535 -9.2930 -9.2930 -9.1567 -9.1567 -9.1344 -9.1344 -7.5128 -7.5128 -7.5123 -7.5123 1.3679 1.3679 1.3704 1.3704 2.0911 2.0911 2.1068 2.1068 2.5208 2.5208 2.5376 2.5376 3.1859 3.1859 3.2294 3.2294 4.0637 4.0637 4.3085 4.3085 4.4985 4.4985 4.6664 4.6664 12.2172 12.2172 12.2421 12.2421 12.9257 12.9257 12.9374 12.9374 13.1641 13.1641 k = 0.3421 0.5000 0.2874 ( 5268 PWs) bands (ev): -27.5607 -27.5607 -27.5607 -27.5607 -16.4690 -16.4690 -16.4658 -16.4658 -10.3988 -10.3988 -10.3257 -10.3257 -9.3525 -9.3525 -9.2928 -9.2928 -9.1524 -9.1524 -9.1331 -9.1331 -7.5176 -7.5176 -7.5170 -7.5170 1.3594 1.3594 1.3620 1.3620 2.1038 2.1038 2.1188 2.1188 2.5305 2.5305 2.5463 2.5463 3.1718 3.1718 3.2121 3.2121 4.0712 4.0712 4.3099 4.3099 4.4856 4.4856 4.6524 4.6524 12.2328 12.2328 12.2567 12.2567 12.9366 12.9366 12.9394 12.9394 13.1930 13.1930 k = 0.3553 0.5000 0.2874 ( 5264 PWs) bands (ev): -27.5603 -27.5603 -27.5603 -27.5603 -16.4706 -16.4706 -16.4675 -16.4675 -10.3965 -10.3965 -10.3275 -10.3275 -9.3511 -9.3511 -9.2929 -9.2929 -9.1483 -9.1483 -9.1319 -9.1319 -7.5221 -7.5221 -7.5215 -7.5215 1.3520 1.3520 1.3545 1.3545 2.1159 2.1159 2.1302 2.1302 2.5394 2.5394 2.5542 2.5542 3.1576 3.1576 3.1946 3.1946 4.0801 4.0801 4.3106 4.3106 4.4749 4.4749 4.6387 4.6387 12.2474 12.2474 12.2701 12.2701 12.9292 12.9292 12.9324 12.9324 13.2221 13.2221 k = 0.3684 0.5000 0.2874 ( 5264 PWs) bands (ev): -27.5600 -27.5600 -27.5600 -27.5600 -16.4721 -16.4721 -16.4692 -16.4692 -10.3940 -10.3940 -10.3295 -10.3295 -9.3494 -9.3494 -9.2935 -9.2935 -9.1444 -9.1444 -9.1308 -9.1308 -7.5263 -7.5263 -7.5258 -7.5258 1.3455 1.3455 1.3480 1.3480 2.1273 2.1273 2.1408 2.1408 2.5475 2.5475 2.5612 2.5612 3.1437 3.1437 3.1771 3.1771 4.0903 4.0903 4.3100 4.3100 4.4666 4.4666 4.6253 4.6253 12.2615 12.2615 12.2829 12.2829 12.9116 12.9116 12.9181 12.9181 13.2487 13.2487 k = 0.3816 0.5000 0.2874 ( 5260 PWs) bands (ev): -27.5596 -27.5596 -27.5596 -27.5596 -16.4734 -16.4734 -16.4708 -16.4708 -10.3912 -10.3912 -10.3318 -10.3318 -9.3473 -9.3473 -9.2945 -9.2945 -9.1409 -9.1409 -9.1296 -9.1296 -7.5303 -7.5303 -7.5298 -7.5298 1.3398 1.3398 1.3423 1.3423 2.1380 2.1380 2.1505 2.1505 2.5549 2.5549 2.5674 2.5674 3.1303 3.1303 3.1601 3.1601 4.1015 4.1015 4.3077 4.3077 4.4612 4.4612 4.6123 4.6123 12.2753 12.2753 12.2953 12.2953 12.8898 12.8898 12.8976 12.8976 13.2721 13.2721 k = 0.3947 0.5000 0.2874 ( 5276 PWs) bands (ev): -27.5594 -27.5594 -27.5594 -27.5594 -16.4746 -16.4746 -16.4722 -16.4722 -10.3883 -10.3883 -10.3343 -10.3343 -9.3449 -9.3449 -9.2959 -9.2959 -9.1377 -9.1377 -9.1285 -9.1285 -7.5340 -7.5340 -7.5335 -7.5335 1.3351 1.3351 1.3374 1.3374 2.1479 2.1479 2.1593 2.1593 2.5616 2.5616 2.5729 2.5729 3.1176 3.1176 3.1438 3.1438 4.1134 4.1134 4.3032 4.3032 4.4588 4.4588 4.5995 4.5995 12.2891 12.2891 12.3075 12.3075 12.8659 12.8659 12.8739 12.8739 13.2926 13.2926 k = 0.4079 0.5000 0.2874 ( 5280 PWs) bands (ev): -27.5591 -27.5591 -27.5591 -27.5591 -16.4757 -16.4757 -16.4736 -16.4736 -10.3852 -10.3852 -10.3370 -10.3370 -9.3423 -9.3423 -9.2977 -9.2977 -9.1348 -9.1348 -9.1275 -9.1275 -7.5373 -7.5373 -7.5368 -7.5368 1.3310 1.3310 1.3332 1.3332 2.1569 2.1569 2.1671 2.1671 2.5675 2.5675 2.5776 2.5776 3.1059 3.1059 3.1286 3.1286 4.1258 4.1258 4.2967 4.2967 4.4593 4.4593 4.5872 4.5872 12.3028 12.3028 12.3196 12.3196 12.8412 12.8412 12.8487 12.8487 13.3103 13.3103 k = 0.4211 0.5000 0.2874 ( 5284 PWs) bands (ev): -27.5589 -27.5589 -27.5589 -27.5589 -16.4766 -16.4766 -16.4748 -16.4748 -10.3819 -10.3819 -10.3400 -10.3400 -9.3393 -9.3393 -9.2999 -9.2999 -9.1323 -9.1323 -9.1265 -9.1265 -7.5402 -7.5402 -7.5398 -7.5398 1.3277 1.3277 1.3297 1.3297 2.1649 2.1649 2.1739 2.1739 2.5728 2.5728 2.5815 2.5815 3.0955 3.0955 3.1147 3.1147 4.1387 4.1387 4.2884 4.2884 4.4623 4.4623 4.5751 4.5751 12.3164 12.3164 12.3314 12.3314 12.8169 12.8169 12.8234 12.8234 13.3254 13.3254 k = 0.4342 0.5000 0.2874 ( 5288 PWs) bands (ev): -27.5587 -27.5587 -27.5587 -27.5587 -16.4774 -16.4774 -16.4758 -16.4758 -10.3785 -10.3785 -10.3431 -10.3431 -9.3362 -9.3362 -9.3025 -9.3025 -9.1301 -9.1301 -9.1257 -9.1257 -7.5427 -7.5427 -7.5423 -7.5423 1.3250 1.3250 1.3268 1.3268 2.1719 2.1719 2.1796 2.1796 2.5774 2.5774 2.5847 2.5847 3.0865 3.0865 3.1023 3.1023 4.1517 4.1517 4.2786 4.2786 4.4672 4.4672 4.5633 4.5633 12.3297 12.3297 12.3426 12.3426 12.7939 12.7939 12.7993 12.7993 13.3379 13.3379 k = 0.4474 0.5000 0.2874 ( 5288 PWs) bands (ev): -27.5585 -27.5585 -27.5585 -27.5585 -16.4780 -16.4780 -16.4767 -16.4767 -10.3750 -10.3750 -10.3463 -10.3463 -9.3329 -9.3329 -9.3053 -9.3053 -9.1283 -9.1283 -9.1250 -9.1250 -7.5448 -7.5448 -7.5445 -7.5445 1.3230 1.3230 1.3244 1.3244 2.1779 2.1779 2.1841 2.1841 2.5813 2.5813 2.5872 2.5872 3.0791 3.0791 3.0917 3.0917 4.1650 4.1650 4.2676 4.2676 4.4738 4.4738 4.5519 4.5519 12.3422 12.3422 12.3530 12.3530 12.7731 12.7731 12.7773 12.7773 13.3481 13.3481 k = 0.4605 0.5000 0.2874 ( 5280 PWs) bands (ev): -27.5584 -27.5584 -27.5584 -27.5584 -16.4784 -16.4784 -16.4775 -16.4775 -10.3714 -10.3714 -10.3497 -10.3497 -9.3294 -9.3294 -9.3084 -9.3084 -9.1268 -9.1268 -9.1245 -9.1245 -7.5464 -7.5464 -7.5461 -7.5461 1.3215 1.3215 1.3226 1.3226 2.1828 2.1828 2.1875 2.1875 2.5845 2.5845 2.5890 2.5890 3.0736 3.0736 3.0829 3.0829 4.1783 4.1783 4.2559 4.2559 4.4815 4.4815 4.5407 4.5407 12.3535 12.3535 12.3618 12.3618 12.7555 12.7555 12.7585 12.7585 13.3560 13.3560 k = 0.4737 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5583 -27.5583 -27.5583 -27.5583 -16.4787 -16.4787 -16.4781 -16.4781 -10.3678 -10.3678 -10.3532 -10.3532 -9.3258 -9.3258 -9.3117 -9.3117 -9.1256 -9.1256 -9.1242 -9.1242 -7.5475 -7.5475 -7.5474 -7.5474 1.3205 1.3205 1.3212 1.3212 2.1865 2.1865 2.1897 2.1897 2.5870 2.5870 2.5900 2.5900 3.0700 3.0700 3.0762 3.0762 4.1916 4.1916 4.2437 4.2437 4.4901 4.4901 4.5299 4.5299 12.3627 12.3627 12.3684 12.3684 12.7421 12.7421 12.7440 12.7440 13.3617 13.3617 k = 0.4868 0.5000 0.2874 ( 5276 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4785 -16.4785 -10.3641 -10.3641 -10.3568 -10.3568 -9.3222 -9.3222 -9.3151 -9.3151 -9.1248 -9.1248 -9.1241 -9.1241 -7.5482 -7.5482 -7.5481 -7.5481 1.3200 1.3200 1.3203 1.3203 2.1891 2.1891 2.1907 2.1907 2.5889 2.5889 2.5904 2.5904 3.0684 3.0684 3.0715 3.0715 4.2049 4.2049 4.2310 4.2310 4.4994 4.4994 4.5193 4.5193 12.3692 12.3692 12.3721 12.3721 12.7337 12.7337 12.7346 12.7346 13.3652 13.3654 k = 0.5000 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3604 -10.3604 -10.3604 -10.3604 -9.3186 -9.3186 -9.3186 -9.3186 -9.1243 -9.1243 -9.1243 -9.1243 -7.5484 -7.5484 -7.5484 -7.5484 1.3199 1.3199 1.3199 1.3199 2.1905 2.1905 2.1905 2.1905 2.5900 2.5900 2.5900 2.5900 3.0689 3.0689 3.0689 3.0689 4.2180 4.2180 4.2180 4.2180 4.5091 4.5091 4.5091 4.5091 12.3725 12.3725 12.3725 12.3725 12.7311 12.7311 12.7311 12.7311 13.3666 13.3666 k = 0.5000 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3604 -10.3604 -10.3604 -10.3604 -9.3186 -9.3186 -9.3186 -9.3186 -9.1243 -9.1243 -9.1243 -9.1243 -7.5484 -7.5484 -7.5484 -7.5484 1.3199 1.3199 1.3199 1.3199 2.1905 2.1905 2.1905 2.1905 2.5900 2.5900 2.5900 2.5900 3.0689 3.0689 3.0689 3.0689 4.2180 4.2180 4.2180 4.2180 4.5091 4.5091 4.5091 4.5091 12.3725 12.3725 12.3725 12.3725 12.7311 12.7311 12.7311 12.7311 13.3666 13.3666 k = 0.4906 0.4906 0.2874 ( 5272 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4784 -16.4784 -10.3642 -10.3642 -10.3568 -10.3568 -9.3223 -9.3223 -9.3150 -9.3150 -9.1248 -9.1248 -9.1241 -9.1241 -7.5483 -7.5483 -7.5480 -7.5480 1.3195 1.3195 1.3208 1.3208 2.1891 2.1891 2.1907 2.1907 2.5886 2.5886 2.5906 2.5906 3.0684 3.0684 3.0715 3.0715 4.2047 4.2047 4.2312 4.2312 4.4992 4.4992 4.5195 4.5195 12.3684 12.3684 12.3728 12.3728 12.7321 12.7321 12.7364 12.7364 13.3649 13.3649 k = 0.4811 0.4811 0.2874 ( 5272 PWs) bands (ev): -27.5584 -27.5584 -27.5582 -27.5582 -16.4790 -16.4790 -16.4777 -16.4777 -10.3679 -10.3679 -10.3531 -10.3531 -9.3260 -9.3260 -9.3115 -9.3115 -9.1257 -9.1257 -9.1242 -9.1242 -7.5480 -7.5480 -7.5468 -7.5468 1.3183 1.3183 1.3235 1.3235 2.1864 2.1864 2.1897 2.1897 2.5855 2.5855 2.5915 2.5915 3.0698 3.0698 3.0765 3.0765 4.1910 4.1910 4.2443 4.2443 4.4897 4.4897 4.5303 4.5303 12.3586 12.3586 12.3723 12.3723 12.7351 12.7351 12.7515 12.7515 13.3600 13.3600 k = 0.4717 0.4717 0.2874 ( 5276 PWs) bands (ev): -27.5585 -27.5585 -27.5582 -27.5582 -16.4792 -16.4792 -16.4766 -16.4766 -10.3717 -10.3717 -10.3495 -10.3495 -9.3298 -9.3298 -9.3080 -9.3080 -9.1268 -9.1268 -9.1245 -9.1245 -7.5475 -7.5475 -7.5449 -7.5449 1.3163 1.3163 1.3279 1.3279 2.1826 2.1826 2.1874 2.1874 2.5805 2.5805 2.5928 2.5928 3.0731 3.0731 3.0839 3.0839 4.1769 4.1769 4.2574 4.2574 4.4806 4.4806 4.5416 4.5416 12.3438 12.3438 12.3714 12.3714 12.7400 12.7400 12.7750 12.7750 13.3517 13.3517 k = 0.4623 0.4623 0.2874 ( 5296 PWs) bands (ev): -27.5588 -27.5588 -27.5582 -27.5582 -16.4795 -16.4795 -16.4751 -16.4751 -10.3754 -10.3754 -10.3459 -10.3459 -9.3336 -9.3336 -9.3045 -9.3045 -9.1283 -9.1283 -9.1250 -9.1250 -7.5469 -7.5469 -7.5422 -7.5422 1.3137 1.3137 1.3340 1.3340 2.1776 2.1776 2.1840 2.1840 2.5735 2.5735 2.5945 2.5945 3.0781 3.0781 3.0937 3.0937 4.1622 4.1622 4.2707 4.2707 4.4720 4.4720 4.5534 4.5534 12.3257 12.3257 12.3700 12.3700 12.7469 12.7469 12.8050 12.8050 13.3403 13.3403 k = 0.4528 0.4528 0.2874 ( 5292 PWs) bands (ev): -27.5591 -27.5591 -27.5583 -27.5583 -16.4799 -16.4799 -16.4732 -16.4732 -10.3792 -10.3792 -10.3424 -10.3424 -9.3376 -9.3376 -9.3011 -9.3011 -9.1301 -9.1301 -9.1257 -9.1257 -7.5461 -7.5461 -7.5389 -7.5389 1.3107 1.3107 1.3419 1.3419 2.1715 2.1715 2.1794 2.1794 2.5646 2.5646 2.5967 2.5967 3.0847 3.0847 3.1057 3.1057 4.1469 4.1469 4.2842 4.2842 4.4640 4.4640 4.5659 4.5659 12.3057 12.3057 12.3680 12.3680 12.7557 12.7557 12.8401 12.8401 13.3255 13.3255 k = 0.4434 0.4434 0.2874 ( 5292 PWs) bands (ev): -27.5595 -27.5595 -27.5583 -27.5583 -16.4804 -16.4804 -16.4708 -16.4708 -10.3830 -10.3830 -10.3390 -10.3390 -9.3415 -9.3415 -9.2978 -9.2978 -9.1322 -9.1322 -9.1266 -9.1266 -7.5452 -7.5452 -7.5348 -7.5348 1.3073 1.3073 1.3516 1.3516 2.1644 2.1644 2.1737 2.1737 2.5538 2.5538 2.5990 2.5990 3.0927 3.0927 3.1199 3.1199 4.1308 4.1308 4.2980 4.2980 4.4567 4.4567 4.5790 4.5790 12.2848 12.2848 12.3653 12.3653 12.7664 12.7664 12.8788 12.8788 13.3075 13.3075 k = 0.4340 0.4340 0.2874 ( 5290 PWs) bands (ev): -27.5600 -27.5600 -27.5583 -27.5583 -16.4809 -16.4809 -16.4680 -16.4680 -10.3867 -10.3867 -10.3356 -10.3356 -9.3456 -9.3456 -9.2945 -9.2945 -9.1346 -9.1346 -9.1275 -9.1275 -7.5443 -7.5443 -7.5302 -7.5302 1.3037 1.3037 1.3629 1.3629 2.1563 2.1563 2.1669 2.1669 2.5412 2.5412 2.6016 2.6016 3.1022 3.1022 3.1358 3.1358 4.1138 4.1138 4.3122 4.3122 4.4501 4.4501 4.5928 4.5928 12.2636 12.2636 12.3619 12.3619 12.7790 12.7790 12.9200 12.9200 13.2863 13.2863 k = 0.4245 0.4245 0.2874 ( 5286 PWs) bands (ev): -27.5605 -27.5605 -27.5583 -27.5583 -16.4815 -16.4815 -16.4648 -16.4648 -10.3904 -10.3904 -10.3323 -10.3323 -9.3498 -9.3498 -9.2912 -9.2912 -9.1372 -9.1372 -9.1284 -9.1284 -7.5434 -7.5434 -7.5251 -7.5251 1.3002 1.3002 1.3760 1.3760 2.1474 2.1474 2.1590 2.1590 2.5269 2.5269 2.6044 2.6044 3.1130 3.1130 3.1534 3.1534 4.0959 4.0959 4.3268 4.3268 4.4444 4.4444 4.6074 4.6074 12.2427 12.2427 12.3574 12.3574 12.7935 12.7935 12.9625 12.9625 13.2621 13.2621 k = 0.4151 0.4151 0.2874 ( 5274 PWs) bands (ev): -27.5611 -27.5611 -27.5583 -27.5583 -16.4822 -16.4822 -16.4612 -16.4612 -10.3941 -10.3941 -10.3290 -10.3290 -9.3540 -9.3540 -9.2881 -9.2881 -9.1400 -9.1400 -9.1294 -9.1294 -7.5425 -7.5425 -7.5194 -7.5194 1.2969 1.2969 1.3908 1.3908 2.1376 2.1376 2.1502 2.1502 2.5109 2.5109 2.6071 2.6071 3.1251 3.1251 3.1723 3.1723 4.0771 4.0771 4.3418 4.3418 4.4398 4.4398 4.6227 4.6227 12.2225 12.2225 12.3517 12.3517 12.8096 12.8096 13.0048 13.0048 13.2341 13.2341 k = 0.4057 0.4057 0.2874 ( 5274 PWs) bands (ev): -27.5618 -27.5618 -27.5584 -27.5584 -16.4830 -16.4830 -16.4572 -16.4572 -10.3977 -10.3977 -10.3259 -10.3259 -9.3582 -9.3582 -9.2850 -9.2850 -9.1431 -9.1431 -9.1302 -9.1302 -7.5418 -7.5418 -7.5134 -7.5134 1.2940 1.2940 1.4072 1.4072 2.1270 2.1270 2.1405 2.1405 2.4933 2.4933 2.6098 2.6098 3.1383 3.1383 3.1922 3.1922 4.0574 4.0574 4.3573 4.3573 4.4364 4.4364 4.6388 4.6388 12.2031 12.2031 12.3446 12.3446 12.8275 12.8275 13.0450 13.0450 13.1669 13.1669 k = 0.3962 0.3962 0.2874 ( 5266 PWs) bands (ev): -27.5625 -27.5625 -27.5584 -27.5584 -16.4839 -16.4839 -16.4528 -16.4528 -10.4012 -10.4012 -10.3229 -10.3229 -9.3626 -9.3626 -9.2819 -9.2819 -9.1463 -9.1463 -9.1310 -9.1310 -7.5412 -7.5412 -7.5071 -7.5071 1.2917 1.2917 1.4252 1.4252 2.1156 2.1156 2.1300 2.1300 2.4743 2.4743 2.6123 2.6123 3.1525 3.1525 3.2129 3.2129 4.0368 4.0368 4.3732 4.3732 4.4345 4.4345 4.6557 4.6557 12.1847 12.1847 12.3358 12.3358 12.8470 12.8470 13.0773 13.0773 13.1002 13.1002 k = 0.3868 0.3868 0.2874 ( 5266 PWs) bands (ev): -27.5633 -27.5633 -27.5584 -27.5584 -16.4848 -16.4848 -16.4481 -16.4481 -10.4047 -10.4047 -10.3199 -10.3199 -9.3669 -9.3669 -9.2790 -9.2790 -9.1496 -9.1496 -9.1316 -9.1316 -7.5409 -7.5409 -7.5005 -7.5005 1.2902 1.2902 1.4449 1.4449 2.1034 2.1034 2.1191 2.1191 2.4538 2.4538 2.6147 2.6147 3.1677 3.1677 3.2342 3.2342 4.0154 4.0154 4.3891 4.3891 4.4345 4.4345 4.6734 4.6734 12.1673 12.1673 12.3252 12.3252 12.8679 12.8679 13.0346 13.0346 13.0965 13.0965 k = 0.3774 0.3774 0.2874 ( 5270 PWs) bands (ev): -27.5641 -27.5641 -27.5585 -27.5585 -16.4857 -16.4857 -16.4431 -16.4431 -10.4081 -10.4081 -10.3171 -10.3171 -9.3713 -9.3713 -9.2762 -9.2762 -9.1530 -9.1530 -9.1319 -9.1319 -7.5408 -7.5408 -7.4937 -7.4937 1.2895 1.2895 1.4661 1.4661 2.0902 2.0902 2.1078 2.1078 2.4320 2.4320 2.6169 2.6169 3.1836 3.1836 3.2558 3.2558 3.9934 3.9934 4.4043 4.4043 4.4372 4.4372 4.6918 4.6918 12.1511 12.1511 12.3126 12.3126 12.8900 12.8900 12.9804 12.9804 13.0776 13.0776 k = 0.3679 0.3679 0.2874 ( 5270 PWs) bands (ev): -27.5650 -27.5650 -27.5585 -27.5585 -16.4868 -16.4868 -16.4377 -16.4377 -10.4114 -10.4114 -10.3144 -10.3144 -9.3757 -9.3757 -9.2735 -9.2735 -9.1565 -9.1565 -9.1321 -9.1321 -7.5411 -7.5411 -7.4869 -7.4869 1.2899 1.2899 1.4889 1.4889 2.0760 2.0760 2.0964 2.0964 2.4090 2.4090 2.6188 2.6188 3.2001 3.2001 3.2775 3.2775 3.9708 3.9708 4.4169 4.4169 4.4446 4.4446 4.7109 4.7109 12.1359 12.1359 12.2979 12.2979 12.9125 12.9125 12.9335 12.9335 13.0441 13.0441 k = 0.3585 0.3585 0.2874 ( 5258 PWs) bands (ev): -27.5659 -27.5659 -27.5586 -27.5586 -16.4878 -16.4878 -16.4319 -16.4319 -10.4145 -10.4145 -10.3118 -10.3118 -9.3801 -9.3801 -9.2709 -9.2709 -9.1600 -9.1600 -9.1319 -9.1319 -7.5418 -7.5418 -7.4800 -7.4800 1.2914 1.2914 1.5132 1.5132 2.0609 2.0609 2.0850 2.0850 2.3850 2.3850 2.6204 2.6204 3.2169 3.2169 3.2994 3.2994 3.9479 3.9479 4.4256 4.4256 4.4580 4.4580 4.7306 4.7306 12.1218 12.1218 12.2813 12.2813 12.8934 12.8934 12.9332 12.9332 13.0093 13.0093 k = 0.3491 0.3491 0.2874 ( 5262 PWs) bands (ev): -27.5669 -27.5669 -27.5586 -27.5586 -16.4890 -16.4890 -16.4259 -16.4259 -10.4176 -10.4176 -10.3093 -10.3093 -9.3844 -9.3844 -9.2685 -9.2685 -9.1635 -9.1635 -9.1315 -9.1315 -7.5430 -7.5430 -7.4732 -7.4732 1.2941 1.2941 1.5389 1.5389 2.0448 2.0448 2.0736 2.0736 2.3600 2.3600 2.6217 2.6217 3.2340 3.2340 3.3214 3.3214 3.9249 3.9249 4.4323 4.4323 4.4755 4.4755 4.7507 4.7507 12.1086 12.1086 12.2630 12.2630 12.8605 12.8605 12.9349 12.9349 12.9923 12.9923 k = 0.3396 0.3396 0.2874 ( 5258 PWs) bands (ev): -27.5679 -27.5679 -27.5586 -27.5586 -16.4901 -16.4901 -16.4197 -16.4197 -10.4204 -10.4204 -10.3070 -10.3070 -9.3886 -9.3886 -9.2662 -9.2662 -9.1670 -9.1670 -9.1308 -9.1308 -7.5447 -7.5447 -7.4666 -7.4666 1.2980 1.2980 1.5661 1.5661 2.0278 2.0278 2.0625 2.0625 2.3341 2.3341 2.6227 2.6227 3.2510 3.2510 3.3434 3.3434 3.9019 3.9019 4.4388 4.4388 4.4951 4.4951 4.7713 4.7713 12.0963 12.0963 12.2434 12.2434 12.8334 12.8334 12.9041 12.9041 13.0086 13.0086 k = 0.3302 0.3302 0.2874 ( 5254 PWs) bands (ev): -27.5690 -27.5690 -27.5587 -27.5587 -16.4914 -16.4914 -16.4131 -16.4131 -10.4232 -10.4232 -10.3049 -10.3049 -9.3927 -9.3927 -9.2641 -9.2641 -9.1704 -9.1704 -9.1298 -9.1298 -7.5469 -7.5469 -7.4601 -7.4601 1.3032 1.3032 1.5946 1.5946 2.0099 2.0099 2.0515 2.0515 2.3075 2.3075 2.6232 2.6232 3.2677 3.2677 3.3655 3.3655 3.8793 3.8793 4.4460 4.4460 4.5160 4.5160 4.7920 4.7920 12.0846 12.0846 12.2230 12.2230 12.8108 12.8108 12.8649 12.8649 13.0351 13.0351 k = 0.3208 0.3208 0.2874 ( 5266 PWs) bands (ev): -27.5701 -27.5701 -27.5588 -27.5588 -16.4926 -16.4926 -16.4064 -16.4064 -10.4257 -10.4257 -10.3028 -10.3028 -9.3966 -9.3966 -9.2621 -9.2621 -9.1738 -9.1738 -9.1285 -9.1285 -7.5496 -7.5496 -7.4539 -7.4539 1.3097 1.3097 1.6244 1.6244 1.9914 1.9914 2.0407 2.0407 2.2802 2.2802 2.6235 2.6235 3.2839 3.2839 3.3878 3.3878 3.8573 3.8573 4.4540 4.4540 4.5378 4.5378 4.8128 4.8128 12.0732 12.0732 12.2022 12.2022 12.7890 12.7890 12.8286 12.8286 13.0645 13.0645 k = 0.3113 0.3113 0.2874 ( 5266 PWs) bands (ev): -27.5713 -27.5713 -27.5588 -27.5588 -16.4939 -16.4939 -16.3994 -16.3994 -10.4280 -10.4280 -10.3010 -10.3010 -9.4003 -9.4003 -9.2603 -9.2603 -9.1770 -9.1770 -9.1269 -9.1269 -7.5530 -7.5530 -7.4480 -7.4480 1.3174 1.3174 1.6554 1.6554 1.9722 1.9722 2.0303 2.0303 2.2525 2.2525 2.6233 2.6233 3.2996 3.2996 3.4104 3.4104 3.8362 3.8362 4.4629 4.4629 4.5603 4.5603 4.8336 4.8336 12.0620 12.0620 12.1816 12.1816 12.7600 12.7600 12.8040 12.8040 13.0949 13.0949 k = 0.3019 0.3019 0.2874 ( 5264 PWs) bands (ev): -27.5724 -27.5724 -27.5589 -27.5589 -16.4952 -16.4952 -16.3922 -16.3922 -10.4301 -10.4301 -10.2993 -10.2993 -9.4038 -9.4038 -9.2586 -9.2586 -9.1802 -9.1802 -9.1251 -9.1251 -7.5570 -7.5570 -7.4424 -7.4424 1.3262 1.3262 1.6875 1.6875 1.9524 1.9524 2.0201 2.0201 2.2243 2.2243 2.6228 2.6228 3.3146 3.3146 3.4331 3.4331 3.8163 3.8163 4.4725 4.4725 4.5834 4.5834 4.8541 4.8541 12.0506 12.0506 12.1614 12.1614 12.7241 12.7241 12.7916 12.7916 13.0464 13.0464 k = 0.2925 0.2925 0.2874 ( 5276 PWs) bands (ev): -27.5736 -27.5736 -27.5589 -27.5589 -16.4965 -16.4965 -16.3849 -16.3849 -10.4320 -10.4320 -10.2978 -10.2978 -9.4070 -9.4070 -9.2570 -9.2570 -9.1832 -9.1832 -9.1231 -9.1231 -7.5616 -7.5616 -7.4373 -7.4373 1.3362 1.3362 1.7207 1.7207 1.9322 1.9322 2.0102 2.0102 2.1958 2.1958 2.6220 2.6220 3.3288 3.3288 3.4559 3.4559 3.7981 3.7981 4.4829 4.4829 4.6070 4.6070 4.8741 4.8741 12.0387 12.0387 12.1417 12.1417 12.6874 12.6874 12.7851 12.7851 12.9438 12.9438 k = 0.2830 0.2830 0.2874 ( 5274 PWs) bands (ev): -27.5748 -27.5748 -27.5590 -27.5590 -16.4978 -16.4978 -16.3774 -16.3774 -10.4336 -10.4336 -10.2965 -10.2965 -9.4098 -9.4098 -9.2556 -9.2556 -9.1860 -9.1860 -9.1209 -9.1209 -7.5668 -7.5668 -7.4326 -7.4326 1.3471 1.3471 1.7549 1.7549 1.9116 1.9116 2.0007 2.0007 2.1672 2.1672 2.6207 2.6207 3.3424 3.3424 3.4786 3.4786 3.7819 3.7819 4.4940 4.4940 4.6309 4.6309 4.8934 4.8934 12.0261 12.0261 12.1227 12.1227 12.6531 12.6531 12.7820 12.7820 12.8409 12.8409 k = 0.2736 0.2736 0.2874 ( 5278 PWs) bands (ev): -27.5760 -27.5760 -27.5591 -27.5591 -16.4992 -16.4992 -16.3698 -16.3698 -10.4350 -10.4350 -10.2954 -10.2954 -9.4123 -9.4123 -9.2544 -9.2544 -9.1887 -9.1887 -9.1186 -9.1186 -7.5726 -7.5726 -7.4283 -7.4283 1.3589 1.3589 1.7899 1.7899 1.8907 1.8907 1.9915 1.9915 2.1385 2.1385 2.6191 2.6191 3.3553 3.3553 3.5007 3.5007 3.7684 3.7684 4.5056 4.5056 4.6551 4.6551 4.9119 4.9119 12.0124 12.0124 12.1043 12.1043 12.6224 12.6224 12.7386 12.7386 12.7810 12.7810 k = 0.2642 0.2642 0.2874 ( 5268 PWs) bands (ev): -27.5773 -27.5773 -27.5591 -27.5591 -16.5005 -16.5005 -16.3621 -16.3621 -10.4360 -10.4360 -10.2944 -10.2944 -9.4144 -9.4144 -9.2533 -9.2533 -9.1912 -9.1912 -9.1163 -9.1163 -7.5790 -7.5790 -7.4246 -7.4246 1.3715 1.3715 1.8256 1.8256 1.8697 1.8697 1.9827 1.9827 2.1100 2.1100 2.6172 2.6172 3.3679 3.3679 3.5219 3.5219 3.7582 3.7582 4.5176 4.5176 4.6794 4.6794 4.9292 4.9292 11.9977 11.9977 12.0863 12.0863 12.5948 12.5948 12.6383 12.6383 12.7813 12.7813 k = 0.2547 0.2547 0.2874 ( 5270 PWs) bands (ev): -27.5785 -27.5785 -27.5592 -27.5592 -16.5019 -16.5019 -16.3543 -16.3543 -10.4368 -10.4368 -10.2937 -10.2937 -9.4161 -9.4161 -9.2522 -9.2522 -9.1935 -9.1935 -9.1139 -9.1139 -7.5860 -7.5860 -7.4213 -7.4213 1.3846 1.3846 1.8474 1.8474 1.8631 1.8631 1.9742 1.9742 2.0816 2.0816 2.6150 2.6150 3.3800 3.3800 3.5413 3.5413 3.7522 3.7522 4.5298 4.5298 4.7038 4.7038 4.9453 4.9453 11.9818 11.9818 12.0685 12.0685 12.5316 12.5316 12.5796 12.5796 12.7800 12.7800 k = 0.2453 0.2453 0.2874 ( 5262 PWs) bands (ev): -27.5797 -27.5797 -27.5592 -27.5592 -16.5033 -16.5033 -16.3465 -16.3465 -10.4373 -10.4373 -10.2932 -10.2932 -9.4173 -9.4173 -9.2513 -9.2513 -9.1957 -9.1957 -9.1115 -9.1115 -7.5935 -7.5935 -7.4186 -7.4186 1.3982 1.3982 1.8267 1.8267 1.8994 1.8994 1.9659 1.9659 2.0537 2.0537 2.6124 2.6124 3.3920 3.3920 3.5582 3.5582 3.7512 3.7512 4.5423 4.5423 4.7281 4.7281 4.9598 4.9598 11.9650 11.9650 12.0506 12.0506 12.4331 12.4331 12.5626 12.5626 12.6858 12.6858 k = 0.2358 0.2358 0.2874 ( 5274 PWs) bands (ev): -27.5810 -27.5810 -27.5593 -27.5593 -16.5046 -16.5046 -16.3387 -16.3387 -10.4375 -10.4375 -10.2929 -10.2929 -9.4181 -9.4181 -9.2505 -9.2505 -9.1977 -9.1977 -9.1093 -9.1093 -7.6016 -7.6016 -7.4164 -7.4164 1.4120 1.4120 1.8055 1.8055 1.9365 1.9365 1.9578 1.9578 2.0266 2.0266 2.6095 2.6095 3.4038 3.4038 3.5723 3.5723 3.7559 3.7559 4.5548 4.5548 4.7522 4.7522 4.9726 4.9726 11.9477 11.9477 12.0325 12.0325 12.3347 12.3347 12.5519 12.5519 12.5840 12.5840 k = 0.2264 0.2264 0.2874 ( 5276 PWs) bands (ev): -27.5822 -27.5822 -27.5594 -27.5594 -16.5059 -16.5059 -16.3309 -16.3309 -10.4374 -10.4374 -10.2928 -10.2928 -9.4184 -9.4184 -9.2497 -9.2497 -9.1996 -9.1996 -9.1071 -9.1071 -7.6101 -7.6101 -7.4147 -7.4147 1.4259 1.4259 1.7844 1.7844 1.9493 1.9493 1.9727 1.9727 2.0017 2.0017 2.6064 2.6064 3.4156 3.4156 3.5834 3.5834 3.7662 3.7662 4.5672 4.5672 4.7760 4.7760 4.9834 4.9834 11.9306 11.9306 12.0137 12.0137 12.2378 12.2378 12.4823 12.4823 12.5468 12.5468 k = 0.2170 0.2170 0.2874 ( 5284 PWs) bands (ev): -27.5835 -27.5835 -27.5595 -27.5595 -16.5073 -16.5073 -16.3232 -16.3232 -10.4370 -10.4370 -10.2930 -10.2930 -9.4181 -9.4181 -9.2490 -9.2490 -9.2013 -9.2013 -9.1052 -9.1052 -7.6190 -7.6190 -7.4135 -7.4135 1.4397 1.4397 1.7635 1.7635 1.9396 1.9396 1.9744 1.9744 2.0137 2.0137 2.6031 2.6031 3.4274 3.4274 3.5925 3.5925 3.7817 3.7817 4.5795 4.5795 4.7996 4.7996 4.9923 4.9923 11.9143 11.9143 11.9940 11.9940 12.1428 12.1428 12.3822 12.3822 12.5453 12.5453 k = 0.2075 0.2075 0.2874 ( 5268 PWs) bands (ev): -27.5847 -27.5847 -27.5595 -27.5595 -16.5086 -16.5086 -16.3155 -16.3155 -10.4362 -10.4362 -10.2933 -10.2933 -9.4173 -9.4173 -9.2483 -9.2483 -9.2028 -9.2028 -9.1035 -9.1035 -7.6282 -7.6282 -7.4127 -7.4127 1.4533 1.4533 1.7430 1.7430 1.9257 1.9257 1.9564 1.9564 2.0505 2.0505 2.5995 2.5995 3.4394 3.4394 3.6005 3.6005 3.8013 3.8013 4.5914 4.5914 4.8227 4.8227 4.9991 4.9991 11.8996 11.8996 11.9722 11.9722 12.0509 12.0509 12.2835 12.2835 12.5472 12.5472 k = 0.1981 0.1981 0.2874 ( 5262 PWs) bands (ev): -27.5858 -27.5858 -27.5596 -27.5596 -16.5098 -16.5098 -16.3079 -16.3079 -10.4352 -10.4352 -10.2939 -10.2939 -9.4160 -9.4160 -9.2476 -9.2476 -9.2043 -9.2043 -9.1020 -9.1020 -7.6377 -7.6377 -7.4124 -7.4124 1.4665 1.4665 1.7229 1.7229 1.9060 1.9060 1.9446 1.9446 2.0875 2.0875 2.5957 2.5957 3.4514 3.4514 3.6088 3.6088 3.8237 3.8237 4.6028 4.6028 4.8452 4.8452 5.0037 5.0037 11.8870 11.8870 11.9398 11.9398 11.9708 11.9708 12.1867 12.1867 12.5513 12.5513 k = 0.1887 0.1887 0.2874 ( 5270 PWs) bands (ev): -27.5870 -27.5870 -27.5596 -27.5596 -16.5111 -16.5111 -16.3005 -16.3005 -10.4338 -10.4338 -10.2948 -10.2948 -9.4141 -9.4141 -9.2469 -9.2469 -9.2057 -9.2057 -9.1009 -9.1009 -7.6474 -7.6474 -7.4126 -7.4126 1.4790 1.4790 1.7033 1.7033 1.8834 1.8834 1.9369 1.9369 2.1242 2.1242 2.5917 2.5917 3.4635 3.4635 3.6181 3.6181 3.8482 3.8482 4.6135 4.6135 4.8670 4.8670 5.0063 5.0063 11.8607 11.8607 11.8813 11.8813 11.9345 11.9345 12.0922 12.0922 12.5563 12.5563 k = 0.1792 0.1792 0.2874 ( 5266 PWs) bands (ev): -27.5882 -27.5882 -27.5597 -27.5597 -16.5123 -16.5123 -16.2932 -16.2932 -10.4321 -10.4321 -10.2959 -10.2959 -9.4117 -9.4117 -9.2463 -9.2463 -9.2069 -9.2069 -9.1001 -9.1001 -7.6573 -7.6573 -7.4131 -7.4131 1.4908 1.4908 1.6845 1.6845 1.8601 1.8601 1.9310 1.9310 2.1602 2.1602 2.5877 2.5877 3.4760 3.4760 3.6291 3.6291 3.8739 3.8739 4.6234 4.6234 4.8877 4.8877 5.0072 5.0072 11.7782 11.7782 11.8734 11.8734 11.9082 11.9082 12.0003 12.0003 12.5604 12.5604 k = 0.1698 0.1698 0.2874 ( 5258 PWs) bands (ev): -27.5893 -27.5893 -27.5598 -27.5598 -16.5134 -16.5134 -16.2861 -16.2861 -10.4301 -10.4301 -10.2972 -10.2972 -9.4088 -9.4088 -9.2457 -9.2457 -9.2080 -9.2080 -9.0997 -9.0997 -7.6672 -7.6672 -7.4141 -7.4141 1.5017 1.5017 1.6666 1.6666 1.8370 1.8370 1.9261 1.9261 2.1953 2.1953 2.5835 2.5835 3.4888 3.4888 3.6423 3.6423 3.9003 3.9003 4.6322 4.6322 4.9068 4.9068 5.0069 5.0069 11.6956 11.6956 11.8707 11.8707 11.8813 11.8813 11.9122 11.9122 12.5619 12.5619 k = 0.1604 0.1604 0.2874 ( 5266 PWs) bands (ev): -27.5903 -27.5903 -27.5598 -27.5598 -16.5146 -16.5146 -16.2792 -16.2792 -10.4278 -10.4278 -10.2988 -10.2988 -9.4053 -9.4053 -9.2452 -9.2452 -9.2090 -9.2090 -9.0997 -9.0997 -7.6772 -7.6772 -7.4153 -7.4153 1.5112 1.5112 1.6497 1.6497 1.8146 1.8146 1.9220 1.9220 2.2294 2.2294 2.5794 2.5794 3.5022 3.5022 3.6576 3.6576 3.9271 3.9271 4.6396 4.6396 4.9232 4.9232 5.0068 5.0068 11.6155 11.6155 11.8228 11.8228 11.8540 11.8540 11.8758 11.8758 12.5526 12.5526 k = 0.1509 0.1509 0.2874 ( 5270 PWs) bands (ev): -27.5914 -27.5914 -27.5599 -27.5599 -16.5156 -16.5156 -16.2725 -16.2725 -10.4252 -10.4252 -10.3006 -10.3006 -9.4014 -9.4014 -9.2448 -9.2448 -9.2098 -9.2098 -9.1002 -9.1002 -7.6870 -7.6870 -7.4168 -7.4168 1.5193 1.5193 1.6344 1.6344 1.7930 1.7930 1.9183 1.9183 2.2621 2.2621 2.5752 2.5752 3.5163 3.5163 3.6751 3.6751 3.9538 3.9538 4.6451 4.6451 4.9350 4.9350 5.0089 5.0089 11.5384 11.5384 11.7409 11.7409 11.8244 11.8244 11.8823 11.8823 12.5165 12.5165 k = 0.1415 0.1415 0.2874 ( 5254 PWs) bands (ev): -27.5924 -27.5924 -27.5599 -27.5599 -16.5167 -16.5167 -16.2661 -16.2661 -10.4223 -10.4223 -10.3027 -10.3027 -9.3969 -9.3969 -9.2447 -9.2447 -9.2103 -9.2103 -9.1011 -9.1011 -7.6967 -7.6967 -7.4185 -7.4185 1.5253 1.5253 1.6210 1.6210 1.7724 1.7724 1.9152 1.9152 2.2933 2.2933 2.5710 2.5710 3.5313 3.5313 3.6947 3.6947 3.9802 3.9802 4.6485 4.6485 4.9403 4.9403 5.0155 5.0155 11.4648 11.4648 11.6620 11.6620 11.7937 11.7937 11.8938 11.8938 12.4814 12.4814 k = 0.1321 0.1321 0.2874 ( 5246 PWs) bands (ev): -27.5933 -27.5933 -27.5600 -27.5600 -16.5176 -16.5176 -16.2600 -16.2600 -10.4192 -10.4192 -10.3050 -10.3050 -9.3920 -9.3920 -9.2448 -9.2448 -9.2104 -9.2104 -9.1025 -9.1025 -7.7062 -7.7062 -7.4204 -7.4204 1.5287 1.5287 1.6102 1.6102 1.7528 1.7528 1.9124 1.9124 2.3228 2.3228 2.5670 2.5670 3.5471 3.5471 3.7163 3.7163 4.0060 4.0060 4.6491 4.6491 4.9393 4.9393 5.0270 5.0270 11.3948 11.3948 11.5868 11.5868 11.7620 11.7620 11.9097 11.9097 12.4477 12.4477 k = 0.1226 0.1226 0.2874 ( 5242 PWs) bands (ev): -27.5942 -27.5942 -27.5600 -27.5600 -16.5186 -16.5186 -16.2542 -16.2542 -10.4158 -10.4158 -10.3076 -10.3076 -9.3866 -9.3866 -9.2454 -9.2454 -9.2101 -9.2101 -9.1043 -9.1043 -7.7153 -7.7153 -7.4225 -7.4225 1.5287 1.5287 1.6028 1.6028 1.7343 1.7343 1.9101 1.9101 2.3504 2.3504 2.5631 2.5631 3.5637 3.5637 3.7398 3.7398 4.0312 4.0312 4.6463 4.6463 4.9344 4.9344 5.0415 5.0415 11.3286 11.3286 11.5157 11.5157 11.7296 11.7296 11.9295 11.9295 12.4154 12.4154 k = 0.1132 0.1132 0.2874 ( 5246 PWs) bands (ev): -27.5950 -27.5950 -27.5601 -27.5601 -16.5194 -16.5194 -16.2487 -16.2487 -10.4122 -10.4122 -10.3104 -10.3104 -9.3808 -9.3808 -9.2465 -9.2465 -9.2093 -9.2093 -9.1066 -9.1066 -7.7241 -7.7241 -7.4246 -7.4246 1.5253 1.5253 1.5990 1.5990 1.7170 1.7170 1.9080 1.9080 2.3760 2.3760 2.5595 2.5595 3.5810 3.5810 3.7650 3.7650 4.0554 4.0554 4.6395 4.6395 4.9279 4.9279 5.0573 5.0573 11.2664 11.2664 11.4489 11.4489 11.6968 11.6968 11.9528 11.9528 12.3847 12.3847 k = 0.1038 0.1038 0.2874 ( 5250 PWs) bands (ev): -27.5958 -27.5958 -27.5601 -27.5601 -16.5202 -16.5202 -16.2436 -16.2436 -10.4084 -10.4084 -10.3134 -10.3134 -9.3747 -9.3747 -9.2481 -9.2481 -9.2079 -9.2079 -9.1094 -9.1094 -7.7325 -7.7325 -7.4268 -7.4268 1.5191 1.5191 1.5981 1.5981 1.7009 1.7009 1.9063 1.9063 2.3994 2.3994 2.5561 2.5561 3.5987 3.5987 3.7921 3.7921 4.0785 4.0785 4.6281 4.6281 4.9214 4.9214 5.0734 5.0734 11.2084 11.2084 11.3866 11.3866 11.6641 11.6641 11.9789 11.9789 12.3560 12.3560 k = 0.0943 0.0943 0.2874 ( 5250 PWs) bands (ev): -27.5965 -27.5965 -27.5602 -27.5602 -16.5210 -16.5210 -16.2388 -16.2388 -10.4044 -10.4044 -10.3167 -10.3167 -9.3683 -9.3683 -9.2503 -9.2503 -9.2059 -9.2059 -9.1127 -9.1127 -7.7403 -7.7403 -7.4289 -7.4289 1.5113 1.5113 1.5991 1.5991 1.6860 1.6860 1.9049 1.9049 2.4205 2.4205 2.5532 2.5532 3.6165 3.6165 3.8210 3.8210 4.1003 4.1003 4.6119 4.6119 4.9159 4.9159 5.0893 5.0893 11.1549 11.1549 11.3290 11.3290 11.6320 11.6320 12.0071 12.0071 12.3294 12.3294 k = 0.0849 0.0849 0.2874 ( 5250 PWs) bands (ev): -27.5972 -27.5972 -27.5602 -27.5602 -16.5217 -16.5217 -16.2345 -16.2345 -10.4002 -10.4002 -10.3201 -10.3201 -9.3616 -9.3616 -9.2530 -9.2530 -9.2034 -9.2034 -9.1163 -9.1163 -7.7476 -7.7476 -7.4310 -7.4310 1.5029 1.5029 1.6010 1.6010 1.6725 1.6725 1.9037 1.9037 2.4392 2.4392 2.5507 2.5507 3.6340 3.6340 3.8515 3.8515 4.1208 4.1208 4.5907 4.5907 4.9118 4.9118 5.1045 5.1045 11.1058 11.1058 11.2764 11.2764 11.6009 11.6009 12.0363 12.0363 12.3052 12.3052 k = 0.0755 0.0755 0.2874 ( 5254 PWs) bands (ev): -27.5978 -27.5978 -27.5603 -27.5603 -16.5223 -16.5223 -16.2305 -16.2305 -10.3959 -10.3959 -10.3238 -10.3238 -9.3547 -9.3547 -9.2563 -9.2563 -9.2004 -9.2004 -9.1203 -9.1203 -7.7542 -7.7542 -7.4331 -7.4331 1.4946 1.4946 1.6032 1.6032 1.6603 1.6603 1.9027 1.9027 2.4554 2.4554 2.5489 2.5489 3.6508 3.6508 3.8838 3.8838 4.1398 4.1398 4.5650 4.5650 4.9092 4.9092 5.1187 5.1187 11.0615 11.0615 11.2288 11.2288 11.5713 11.5713 12.0653 12.0653 12.2837 12.2837 k = 0.0660 0.0660 0.2874 ( 5240 PWs) bands (ev): -27.5984 -27.5984 -27.5603 -27.5603 -16.5228 -16.5228 -16.2270 -16.2270 -10.3914 -10.3914 -10.3276 -10.3276 -9.3476 -9.3476 -9.2601 -9.2601 -9.1969 -9.1969 -9.1247 -9.1247 -7.7602 -7.7602 -7.4349 -7.4349 1.4868 1.4868 1.6055 1.6055 1.6494 1.6494 1.9019 1.9019 2.4690 2.4690 2.5478 2.5478 3.6665 3.6665 3.9176 3.9176 4.1573 4.1573 4.5352 4.5352 4.9080 4.9080 5.1318 5.1318 11.0220 11.0220 11.1864 11.1864 11.5437 11.5437 12.0927 12.0927 12.2651 12.2651 k = 0.0566 0.0566 0.2874 ( 5242 PWs) bands (ev): -27.5988 -27.5988 -27.5603 -27.5603 -16.5233 -16.5233 -16.2239 -16.2239 -10.3868 -10.3868 -10.3316 -10.3316 -9.3405 -9.3405 -9.2643 -9.2643 -9.1931 -9.1931 -9.1293 -9.1293 -7.7655 -7.7655 -7.4366 -7.4366 1.4798 1.4798 1.6076 1.6076 1.6400 1.6400 1.9012 1.9012 2.4799 2.4799 2.5476 2.5476 3.6807 3.6807 3.9526 3.9526 4.1733 4.1733 4.5020 4.5020 4.9078 4.9078 5.1435 5.1435 10.9875 10.9875 11.1494 11.1494 11.5187 11.5187 12.1171 12.1171 12.2501 12.2501 k = 0.0472 0.0472 0.2874 ( 5246 PWs) bands (ev): -27.5992 -27.5992 -27.5603 -27.5603 -16.5237 -16.5237 -16.2213 -16.2213 -10.3822 -10.3822 -10.3358 -10.3358 -9.3333 -9.3333 -9.2689 -9.2689 -9.1890 -9.1890 -9.1342 -9.1342 -7.7700 -7.7700 -7.4381 -7.4381 1.4736 1.4736 1.6094 1.6094 1.6319 1.6319 1.9007 1.9007 2.4881 2.4881 2.5482 2.5482 3.6931 3.6931 3.9882 3.9882 4.1880 4.1880 4.4662 4.4662 4.9083 4.9083 5.1537 5.1537 10.9580 10.9580 11.1178 11.1178 11.4967 11.4967 12.1366 12.1366 12.2393 12.2393 k = 0.0377 0.0377 0.2874 ( 5254 PWs) bands (ev): -27.5996 -27.5996 -27.5604 -27.5604 -16.5240 -16.5240 -16.2191 -16.2191 -10.3775 -10.3775 -10.3401 -10.3401 -9.3261 -9.3261 -9.2739 -9.2739 -9.1846 -9.1846 -9.1391 -9.1391 -7.7738 -7.7738 -7.4394 -7.4394 1.4685 1.4685 1.6108 1.6108 1.6253 1.6253 1.9004 1.9004 2.4939 2.4939 2.5496 2.5496 3.7036 3.7036 4.0235 4.0235 4.2018 4.2018 4.4286 4.4286 4.9092 4.9092 5.1623 5.1623 10.9338 10.9338 11.0919 11.0919 11.4781 11.4781 12.1499 12.1499 12.2331 12.2331 k = 0.0283 0.0283 0.2874 ( 5252 PWs) bands (ev): -27.5998 -27.5998 -27.5604 -27.5604 -16.5243 -16.5243 -16.2174 -16.2174 -10.3727 -10.3727 -10.3445 -10.3445 -9.3191 -9.3191 -9.2793 -9.2793 -9.1802 -9.1802 -9.1441 -9.1441 -7.7767 -7.7767 -7.4404 -7.4404 1.4644 1.4644 1.6120 1.6120 1.6202 1.6202 1.9001 1.9001 2.4977 2.4977 2.5513 2.5513 3.7119 3.7119 4.0568 4.0568 4.2157 4.2157 4.3901 4.3901 4.9101 4.9101 5.1691 5.1691 10.9149 10.9149 11.0716 11.0716 11.4632 11.4632 12.1568 12.1568 12.2314 12.2314 k = 0.0189 0.0189 0.2874 ( 5252 PWs) bands (ev): -27.6000 -27.6000 -27.5604 -27.5604 -16.5245 -16.5245 -16.2162 -16.2162 -10.3679 -10.3679 -10.3490 -10.3490 -9.3123 -9.3123 -9.2848 -9.2848 -9.1758 -9.1758 -9.1488 -9.1488 -7.7789 -7.7789 -7.4412 -7.4412 1.4615 1.4615 1.6127 1.6127 1.6166 1.6166 1.8999 1.8999 2.5000 2.5000 2.5529 2.5529 3.7179 3.7179 4.0852 4.0852 4.2314 4.2314 4.3522 4.3522 4.9109 4.9109 5.1741 5.1741 10.9013 10.9013 11.0571 11.0571 11.4523 11.4523 12.1593 12.1593 12.2322 12.2322 k = 0.0094 0.0094 0.2874 ( 5244 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2155 -16.2155 -10.3632 -10.3632 -10.3537 -10.3537 -9.3061 -9.3061 -9.2903 -9.2903 -9.1721 -9.1721 -9.1528 -9.1528 -7.7801 -7.7801 -7.4416 -7.4416 1.4597 1.4597 1.6130 1.6130 1.6147 1.6147 1.8998 1.8998 2.5013 2.5013 2.5540 2.5540 3.7215 3.7215 4.1048 4.1048 4.2507 4.2507 4.3169 4.3169 4.9115 4.9115 5.1771 5.1771 10.8931 10.8931 11.0484 11.0484 11.4457 11.4457 12.1597 12.1597 12.2335 12.2335 k = 0.0000 0.0000 0.2874 ( 5240 PWs) bands (ev): -27.6001 -27.6001 -27.5604 -27.5604 -16.5246 -16.5246 -16.2152 -16.2152 -10.3589 -10.3589 -10.3579 -10.3579 -9.3024 -9.3024 -9.2937 -9.2937 -9.1704 -9.1704 -9.1545 -9.1545 -7.7806 -7.7806 -7.4418 -7.4418 1.4591 1.4591 1.6128 1.6128 1.6143 1.6143 1.8998 1.8998 2.5016 2.5016 2.5545 2.5545 3.7227 3.7227 4.1119 4.1119 4.2670 4.2670 4.2947 4.2947 4.9117 4.9117 5.1781 5.1781 10.8904 10.8904 11.0454 11.0454 11.4435 11.4435 12.1597 12.1597 12.2340 12.2340 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3688 -10.3688 -10.3688 -10.3688 -9.3206 -9.3206 -9.3206 -9.3206 -9.2068 -9.2068 -9.2068 -9.2068 -7.4365 -7.4365 -7.4365 -7.4365 1.7575 1.7575 1.7575 1.7575 1.9912 1.9912 1.9912 1.9912 2.0345 2.0345 2.0345 2.0345 3.3808 3.3808 3.3808 3.3808 4.3870 4.3870 4.3870 4.3870 4.7884 4.7884 4.7884 4.7884 11.2310 11.2310 11.2310 11.2310 11.8259 11.8259 11.8259 11.8259 12.5426 12.5426 k = 0.0000 0.5000 0.0131 ( 5238 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3688 -10.3688 -10.3688 -10.3688 -9.3206 -9.3206 -9.3206 -9.3206 -9.2068 -9.2068 -9.2068 -9.2068 -7.4364 -7.4364 -7.4364 -7.4364 1.7577 1.7577 1.7577 1.7577 1.9911 1.9911 1.9911 1.9911 2.0343 2.0343 2.0343 2.0343 3.3800 3.3800 3.3800 3.3800 4.3871 4.3871 4.3871 4.3871 4.7891 4.7891 4.7891 4.7891 11.2316 11.2316 11.2316 11.2316 11.8287 11.8287 11.8287 11.8287 12.5430 12.5430 k = 0.0000 0.5000 0.0261 ( 5234 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3687 -10.3687 -10.3687 -10.3687 -9.3205 -9.3205 -9.3205 -9.3205 -9.2070 -9.2070 -9.2070 -9.2070 -7.4362 -7.4362 -7.4362 -7.4362 1.7583 1.7583 1.7583 1.7583 1.9908 1.9908 1.9908 1.9908 2.0335 2.0335 2.0335 2.0335 3.3777 3.3777 3.3777 3.3777 4.3876 4.3876 4.3876 4.3876 4.7910 4.7910 4.7910 4.7910 11.2335 11.2335 11.2335 11.2335 11.8370 11.8370 11.8370 11.8370 12.5443 12.5443 k = 0.0000 0.5000 0.0392 ( 5238 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3687 -10.3687 -10.3687 -10.3687 -9.3204 -9.3204 -9.3204 -9.3204 -9.2074 -9.2074 -9.2074 -9.2074 -7.4358 -7.4358 -7.4358 -7.4358 1.7594 1.7594 1.7594 1.7594 1.9903 1.9903 1.9903 1.9903 2.0321 2.0321 2.0321 2.0321 3.3739 3.3739 3.3739 3.3739 4.3883 4.3883 4.3883 4.3883 4.7941 4.7941 4.7941 4.7941 11.2365 11.2365 11.2365 11.2365 11.8509 11.8509 11.8509 11.8509 12.5463 12.5463 k = 0.0000 0.5000 0.0523 ( 5246 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3687 -10.3687 -10.3687 -10.3687 -9.3202 -9.3202 -9.3202 -9.3202 -9.2078 -9.2078 -9.2078 -9.2078 -7.4353 -7.4353 -7.4353 -7.4353 1.7608 1.7608 1.7608 1.7608 1.9897 1.9897 1.9897 1.9897 2.0303 2.0303 2.0303 2.0303 3.3687 3.3687 3.3687 3.3687 4.3893 4.3893 4.3893 4.3893 4.7983 4.7983 4.7983 4.7983 11.2407 11.2407 11.2407 11.2407 11.8701 11.8701 11.8701 11.8701 12.5492 12.5492 k = 0.0000 0.5000 0.0653 ( 5246 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4287 -16.4287 -16.4287 -16.4287 -10.3687 -10.3687 -10.3687 -10.3687 -9.3200 -9.3200 -9.3200 -9.3200 -9.2084 -9.2084 -9.2084 -9.2084 -7.4346 -7.4346 -7.4346 -7.4346 1.7626 1.7626 1.7626 1.7626 1.9888 1.9888 1.9888 1.9888 2.0280 2.0280 2.0280 2.0280 3.3623 3.3623 3.3623 3.3623 4.3905 4.3905 4.3905 4.3905 4.8035 4.8035 4.8035 4.8035 11.2459 11.2459 11.2459 11.2459 11.8945 11.8945 11.8945 11.8945 12.5528 12.5528 k = 0.0000 0.5000 0.0784 ( 5254 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3686 -10.3686 -10.3686 -10.3686 -9.3197 -9.3197 -9.3197 -9.3197 -9.2091 -9.2091 -9.2091 -9.2091 -7.4339 -7.4339 -7.4339 -7.4339 1.7648 1.7648 1.7648 1.7648 1.9877 1.9877 1.9877 1.9877 2.0254 2.0254 2.0254 2.0254 3.3548 3.3548 3.3548 3.3548 4.3920 4.3920 4.3920 4.3920 4.8095 4.8095 4.8095 4.8095 11.2520 11.2520 11.2520 11.2520 11.9236 11.9236 11.9236 11.9236 12.5572 12.5572 k = 0.0000 0.5000 0.0915 ( 5254 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3686 -10.3686 -10.3686 -10.3686 -9.3194 -9.3194 -9.3194 -9.3194 -9.2099 -9.2099 -9.2099 -9.2099 -7.4330 -7.4330 -7.4330 -7.4330 1.7674 1.7674 1.7674 1.7674 1.9864 1.9864 1.9864 1.9864 2.0224 2.0224 2.0224 2.0224 3.3464 3.3464 3.3464 3.3464 4.3936 4.3936 4.3936 4.3936 4.8163 4.8163 4.8163 4.8163 11.2589 11.2589 11.2589 11.2589 11.9572 11.9572 11.9572 11.9572 12.5623 12.5623 k = 0.0000 0.5000 0.1045 ( 5254 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3686 -10.3686 -10.3686 -10.3686 -9.3190 -9.3190 -9.3190 -9.3190 -9.2107 -9.2107 -9.2107 -9.2107 -7.4321 -7.4321 -7.4321 -7.4321 1.7703 1.7703 1.7703 1.7703 1.9847 1.9847 1.9847 1.9847 2.0191 2.0191 2.0191 2.0191 3.3374 3.3374 3.3374 3.3374 4.3953 4.3953 4.3953 4.3953 4.8237 4.8237 4.8237 4.8237 11.2665 11.2665 11.2665 11.2665 11.9947 11.9947 11.9947 11.9947 12.5680 12.5680 k = 0.0000 0.5000 0.1176 ( 5238 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3685 -10.3685 -10.3685 -10.3685 -9.3187 -9.3187 -9.3187 -9.3187 -9.2116 -9.2116 -9.2116 -9.2116 -7.4310 -7.4310 -7.4310 -7.4310 1.7736 1.7736 1.7736 1.7736 1.9826 1.9826 1.9826 1.9826 2.0158 2.0158 2.0158 2.0158 3.3279 3.3279 3.3279 3.3279 4.3971 4.3971 4.3971 4.3971 4.8314 4.8314 4.8314 4.8314 11.2745 11.2745 11.2745 11.2745 12.0355 12.0355 12.0355 12.0355 12.5743 12.5743 k = 0.0000 0.5000 0.1307 ( 5242 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3684 -10.3684 -10.3684 -10.3684 -9.3183 -9.3183 -9.3183 -9.3183 -9.2126 -9.2126 -9.2126 -9.2126 -7.4300 -7.4300 -7.4300 -7.4300 1.7772 1.7772 1.7772 1.7772 1.9802 1.9802 1.9802 1.9802 2.0125 2.0125 2.0125 2.0125 3.3182 3.3182 3.3182 3.3182 4.3990 4.3990 4.3990 4.3990 4.8393 4.8393 4.8393 4.8393 11.2829 11.2829 11.2829 11.2829 12.0788 12.0788 12.0788 12.0788 12.5810 12.5810 k = 0.0000 0.5000 0.1437 ( 5248 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3684 -10.3684 -10.3684 -10.3684 -9.3179 -9.3179 -9.3179 -9.3179 -9.2136 -9.2136 -9.2136 -9.2136 -7.4289 -7.4289 -7.4289 -7.4289 1.7811 1.7811 1.7811 1.7811 1.9772 1.9772 1.9772 1.9772 2.0093 2.0093 2.0093 2.0093 3.3084 3.3084 3.3084 3.3084 4.4009 4.4009 4.4009 4.4009 4.8473 4.8473 4.8473 4.8473 11.2915 11.2915 11.2915 11.2915 12.1236 12.1236 12.1236 12.1236 12.5880 12.5880 k = 0.0000 0.5000 0.1568 ( 5248 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3683 -10.3683 -10.3683 -10.3683 -9.3174 -9.3174 -9.3174 -9.3174 -9.2146 -9.2146 -9.2146 -9.2146 -7.4278 -7.4278 -7.4278 -7.4278 1.7852 1.7852 1.7852 1.7852 1.9737 1.9737 1.9737 1.9737 2.0064 2.0064 2.0064 2.0064 3.2989 3.2989 3.2989 3.2989 4.4028 4.4028 4.4028 4.4028 4.8551 4.8551 4.8551 4.8551 11.3001 11.3001 11.3001 11.3001 12.1691 12.1691 12.1691 12.1691 12.5954 12.5954 k = 0.0000 0.5000 0.1699 ( 5252 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3683 -10.3683 -10.3683 -10.3683 -9.3170 -9.3170 -9.3170 -9.3170 -9.2156 -9.2156 -9.2156 -9.2156 -7.4267 -7.4267 -7.4267 -7.4267 1.7895 1.7895 1.7895 1.7895 1.9697 1.9697 1.9697 1.9697 2.0038 2.0038 2.0038 2.0038 3.2896 3.2896 3.2896 3.2896 4.4046 4.4046 4.4046 4.4046 4.8627 4.8627 4.8627 4.8627 11.3085 11.3085 11.3085 11.3085 12.2139 12.2139 12.2139 12.2139 12.6028 12.6028 k = 0.0000 0.5000 0.1829 ( 5252 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3682 -10.3682 -10.3682 -10.3682 -9.3166 -9.3166 -9.3166 -9.3166 -9.2165 -9.2165 -9.2165 -9.2165 -7.4257 -7.4257 -7.4257 -7.4257 1.7939 1.7939 1.7939 1.7939 1.9653 1.9653 1.9653 1.9653 2.0016 2.0016 2.0016 2.0016 3.2809 3.2809 3.2809 3.2809 4.4063 4.4063 4.4063 4.4063 4.8698 4.8698 4.8698 4.8698 11.3167 11.3167 11.3167 11.3167 12.2569 12.2569 12.2569 12.2569 12.6102 12.6102 k = 0.0000 0.5000 0.1960 ( 5250 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4288 -16.4288 -16.4288 -16.4288 -10.3682 -10.3682 -10.3682 -10.3682 -9.3162 -9.3162 -9.3162 -9.3162 -9.2174 -9.2174 -9.2174 -9.2174 -7.4248 -7.4248 -7.4248 -7.4248 1.7983 1.7983 1.7983 1.7983 1.9606 1.9606 1.9606 1.9606 1.9998 1.9998 1.9998 1.9998 3.2728 3.2728 3.2728 3.2728 4.4079 4.4079 4.4079 4.4079 4.8764 4.8764 4.8764 4.8764 11.3243 11.3243 11.3243 11.3243 12.2969 12.2969 12.2969 12.2969 12.6174 12.6174 k = 0.0000 0.5000 0.2091 ( 5250 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3681 -10.3681 -10.3681 -10.3681 -9.3159 -9.3159 -9.3159 -9.3159 -9.2182 -9.2182 -9.2182 -9.2182 -7.4239 -7.4239 -7.4239 -7.4239 1.8027 1.8027 1.8027 1.8027 1.9558 1.9558 1.9558 1.9558 1.9983 1.9983 1.9983 1.9983 3.2656 3.2656 3.2656 3.2656 4.4093 4.4093 4.4093 4.4093 4.8823 4.8823 4.8823 4.8823 11.3313 11.3313 11.3313 11.3313 12.3329 12.3329 12.3329 12.3329 12.6243 12.6243 k = 0.0000 0.5000 0.2221 ( 5238 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3681 -10.3681 -10.3681 -10.3681 -9.3155 -9.3155 -9.3155 -9.3155 -9.2190 -9.2190 -9.2190 -9.2190 -7.4231 -7.4231 -7.4231 -7.4231 1.8068 1.8068 1.8068 1.8068 1.9512 1.9512 1.9512 1.9512 1.9971 1.9971 1.9971 1.9971 3.2593 3.2593 3.2593 3.2593 4.4106 4.4106 4.4106 4.4106 4.8875 4.8875 4.8875 4.8875 11.3376 11.3376 11.3376 11.3376 12.3640 12.3640 12.3640 12.3640 12.6305 12.6305 k = 0.0000 0.5000 0.2352 ( 5234 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3681 -10.3681 -10.3681 -10.3681 -9.3153 -9.3153 -9.3153 -9.3153 -9.2196 -9.2196 -9.2196 -9.2196 -7.4225 -7.4225 -7.4225 -7.4225 1.8106 1.8106 1.8106 1.8106 1.9470 1.9470 1.9470 1.9470 1.9962 1.9962 1.9962 1.9962 3.2540 3.2540 3.2540 3.2540 4.4117 4.4117 4.4117 4.4117 4.8919 4.8919 4.8919 4.8919 11.3429 11.3429 11.3429 11.3429 12.3897 12.3897 12.3897 12.3897 12.6360 12.6360 k = 0.0000 0.5000 0.2482 ( 5256 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3681 -10.3681 -10.3681 -10.3681 -9.3151 -9.3151 -9.3151 -9.3151 -9.2201 -9.2201 -9.2201 -9.2201 -7.4220 -7.4220 -7.4220 -7.4220 1.8138 1.8138 1.8138 1.8138 1.9433 1.9433 1.9433 1.9433 1.9954 1.9954 1.9954 1.9954 3.2497 3.2497 3.2497 3.2497 4.4125 4.4125 4.4125 4.4125 4.8953 4.8953 4.8953 4.8953 11.3471 11.3471 11.3471 11.3471 12.4096 12.4096 12.4096 12.4096 12.6404 12.6404 k = 0.0000 0.5000 0.2613 ( 5274 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3680 -10.3680 -10.3680 -10.3680 -9.3149 -9.3149 -9.3149 -9.3149 -9.2205 -9.2205 -9.2205 -9.2205 -7.4216 -7.4216 -7.4216 -7.4216 1.8163 1.8163 1.8163 1.8163 1.9404 1.9404 1.9404 1.9404 1.9949 1.9949 1.9949 1.9949 3.2467 3.2467 3.2467 3.2467 4.4131 4.4131 4.4131 4.4131 4.8978 4.8978 4.8978 4.8978 11.3502 11.3502 11.3502 11.3502 12.4238 12.4238 12.4238 12.4238 12.6437 12.6437 k = 0.0000 0.5000 0.2744 ( 5270 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3680 -10.3680 -10.3680 -10.3680 -9.3148 -9.3148 -9.3148 -9.3148 -9.2207 -9.2207 -9.2207 -9.2207 -7.4214 -7.4214 -7.4214 -7.4214 1.8179 1.8179 1.8179 1.8179 1.9386 1.9386 1.9386 1.9386 1.9946 1.9946 1.9946 1.9946 3.2448 3.2448 3.2448 3.2448 4.4135 4.4135 4.4135 4.4135 4.8994 4.8994 4.8994 4.8994 11.3521 11.3521 11.3521 11.3521 12.4322 12.4322 12.4322 12.4322 12.6458 12.6458 k = 0.0000 0.5000 0.2874 ( 5264 PWs) bands (ev): -27.5691 -27.5691 -27.5691 -27.5691 -16.4289 -16.4289 -16.4289 -16.4289 -10.3680 -10.3680 -10.3680 -10.3680 -9.3148 -9.3148 -9.3148 -9.3148 -9.2207 -9.2207 -9.2207 -9.2207 -7.4213 -7.4213 -7.4213 -7.4213 1.8184 1.8184 1.8184 1.8184 1.9380 1.9380 1.9380 1.9380 1.9945 1.9945 1.9945 1.9945 3.2442 3.2442 3.2442 3.2442 4.4136 4.4136 4.4136 4.4136 4.8999 4.8999 4.8999 4.8999 11.3528 11.3528 11.3528 11.3528 12.4350 12.4350 12.4350 12.4350 12.6465 12.6465 k = 0.5000 0.5000-0.0000 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3577 -10.3577 -10.3577 -10.3577 -9.3091 -9.3091 -9.3091 -9.3091 -9.1260 -9.1260 -9.1260 -9.1260 -7.5707 -7.5707 -7.5707 -7.5707 1.4164 1.4164 1.4164 1.4164 2.2262 2.2262 2.2262 2.2262 2.5902 2.5902 2.5902 2.5902 2.9735 2.9735 2.9735 2.9735 4.1937 4.1937 4.1937 4.1937 4.5455 4.5455 4.5455 4.5455 11.7030 11.7030 11.7030 11.7030 12.7019 12.7019 12.7019 12.7019 13.6961 13.6961 k = 0.5000 0.5000 0.0131 ( 5288 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3578 -10.3578 -10.3578 -10.3578 -9.3091 -9.3091 -9.3091 -9.3091 -9.1260 -9.1260 -9.1260 -9.1260 -7.5706 -7.5706 -7.5706 -7.5706 1.4159 1.4159 1.4159 1.4159 2.2260 2.2260 2.2260 2.2260 2.5902 2.5902 2.5902 2.5902 2.9740 2.9740 2.9740 2.9740 4.1939 4.1939 4.1939 4.1939 4.5453 4.5453 4.5453 4.5453 11.7056 11.7056 11.7056 11.7056 12.7021 12.7021 12.7021 12.7021 13.6940 13.6940 k = 0.5000 0.5000 0.0261 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3578 -10.3578 -10.3578 -10.3578 -9.3093 -9.3093 -9.3093 -9.3093 -9.1259 -9.1259 -9.1259 -9.1259 -7.5703 -7.5703 -7.5703 -7.5703 1.4144 1.4144 1.4144 1.4144 2.2254 2.2254 2.2254 2.2254 2.5902 2.5902 2.5902 2.5902 2.9755 2.9755 2.9755 2.9755 4.1945 4.1945 4.1945 4.1945 4.5446 4.5446 4.5446 4.5446 11.7134 11.7134 11.7134 11.7134 12.7024 12.7024 12.7024 12.7024 13.6880 13.6880 k = 0.5000 0.5000 0.0392 ( 5280 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3579 -10.3579 -10.3579 -10.3579 -9.3095 -9.3095 -9.3095 -9.3095 -9.1259 -9.1259 -9.1259 -9.1259 -7.5697 -7.5697 -7.5697 -7.5697 1.4120 1.4120 1.4120 1.4120 2.2244 2.2244 2.2244 2.2244 2.5902 2.5902 2.5902 2.5902 2.9779 2.9779 2.9779 2.9779 4.1955 4.1955 4.1955 4.1955 4.5435 4.5435 4.5435 4.5435 11.7263 11.7263 11.7263 11.7263 12.7031 12.7031 12.7031 12.7031 13.6786 13.6786 k = 0.5000 0.5000 0.0523 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3580 -10.3580 -10.3580 -10.3580 -9.3099 -9.3099 -9.3099 -9.3099 -9.1258 -9.1258 -9.1258 -9.1258 -7.5690 -7.5690 -7.5690 -7.5690 1.4086 1.4086 1.4086 1.4086 2.2231 2.2231 2.2231 2.2231 2.5902 2.5902 2.5902 2.5902 2.9811 2.9811 2.9811 2.9811 4.1968 4.1968 4.1968 4.1968 4.5420 4.5420 4.5420 4.5420 11.7442 11.7442 11.7442 11.7442 12.7039 12.7039 12.7040 12.7040 13.6666 13.6666 k = 0.5000 0.5000 0.0653 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3581 -10.3581 -10.3581 -10.3581 -9.3103 -9.3103 -9.3103 -9.3103 -9.1258 -9.1258 -9.1258 -9.1258 -7.5680 -7.5680 -7.5680 -7.5680 1.4043 1.4043 1.4043 1.4043 2.2215 2.2215 2.2215 2.2215 2.5902 2.5902 2.5902 2.5902 2.9852 2.9852 2.9852 2.9852 4.1983 4.1983 4.1983 4.1983 4.5401 4.5401 4.5401 4.5401 11.7670 11.7670 11.7670 11.7670 12.7051 12.7051 12.7051 12.7051 13.6527 13.6527 k = 0.5000 0.5000 0.0784 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4788 -16.4788 -16.4788 -16.4788 -10.3582 -10.3582 -10.3582 -10.3582 -9.3107 -9.3107 -9.3107 -9.3107 -9.1257 -9.1257 -9.1257 -9.1257 -7.5669 -7.5669 -7.5669 -7.5669 1.3994 1.3994 1.3994 1.3994 2.2196 2.2196 2.2196 2.2196 2.5902 2.5902 2.5902 2.5902 2.9900 2.9900 2.9900 2.9900 4.2001 4.2001 4.2001 4.2001 4.5380 4.5380 4.5380 4.5380 11.7944 11.7944 11.7944 11.7944 12.7064 12.7064 12.7064 12.7064 13.6371 13.6371 k = 0.5000 0.5000 0.0915 ( 5288 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3584 -10.3584 -10.3584 -10.3584 -9.3113 -9.3113 -9.3113 -9.3113 -9.1256 -9.1256 -9.1256 -9.1256 -7.5656 -7.5656 -7.5656 -7.5656 1.3938 1.3938 1.3938 1.3938 2.2175 2.2175 2.2175 2.2175 2.5901 2.5901 2.5901 2.5901 2.9954 2.9954 2.9954 2.9954 4.2020 4.2020 4.2020 4.2020 4.5356 4.5356 4.5356 4.5356 11.8261 11.8261 11.8261 11.8261 12.7079 12.7079 12.7079 12.7079 13.6203 13.6203 k = 0.5000 0.5000 0.1045 ( 5292 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3585 -10.3585 -10.3585 -10.3585 -9.3119 -9.3119 -9.3119 -9.3119 -9.1255 -9.1255 -9.1255 -9.1255 -7.5642 -7.5642 -7.5642 -7.5642 1.3876 1.3876 1.3876 1.3876 2.2151 2.2151 2.2151 2.2151 2.5901 2.5901 2.5901 2.5901 3.0013 3.0013 3.0013 3.0013 4.2040 4.2040 4.2040 4.2040 4.5330 4.5330 4.5330 4.5330 11.8617 11.8617 11.8617 11.8617 12.7097 12.7097 12.7097 12.7097 13.6025 13.6025 k = 0.5000 0.5000 0.1176 ( 5292 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3587 -10.3587 -10.3587 -10.3587 -9.3125 -9.3125 -9.3125 -9.3125 -9.1254 -9.1254 -9.1254 -9.1254 -7.5627 -7.5627 -7.5627 -7.5627 1.3811 1.3811 1.3811 1.3811 2.2127 2.2127 2.2127 2.2127 2.5901 2.5901 2.5901 2.5901 3.0077 3.0077 3.0077 3.0077 4.2061 4.2061 4.2061 4.2061 4.5303 4.5303 4.5303 4.5303 11.9009 11.9009 11.9009 11.9009 12.7115 12.7115 12.7116 12.7116 13.5838 13.5838 k = 0.5000 0.5000 0.1307 ( 5304 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3589 -10.3589 -10.3589 -10.3589 -9.3132 -9.3132 -9.3132 -9.3132 -9.1253 -9.1253 -9.1253 -9.1253 -7.5612 -7.5612 -7.5612 -7.5612 1.3743 1.3743 1.3743 1.3743 2.2101 2.2101 2.2101 2.2101 2.5901 2.5901 2.5901 2.5901 3.0143 3.0143 3.0143 3.0143 4.2080 4.2080 4.2080 4.2080 4.5276 4.5276 4.5276 4.5276 11.9431 11.9431 11.9431 11.9431 12.7136 12.7136 12.7136 12.7136 13.5643 13.5643 k = 0.5000 0.5000 0.1437 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3591 -10.3591 -10.3591 -10.3591 -9.3139 -9.3139 -9.3139 -9.3139 -9.1251 -9.1251 -9.1251 -9.1251 -7.5596 -7.5596 -7.5596 -7.5596 1.3675 1.3675 1.3675 1.3675 2.2076 2.2076 2.2076 2.2076 2.5901 2.5901 2.5901 2.5901 3.0211 3.0211 3.0211 3.0211 4.2099 4.2099 4.2099 4.2099 4.5249 4.5249 4.5249 4.5249 11.9878 11.9878 11.9878 11.9878 12.7157 12.7157 12.7157 12.7157 13.5442 13.5442 k = 0.5000 0.5000 0.1568 ( 5296 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3593 -10.3593 -10.3593 -10.3593 -9.3146 -9.3146 -9.3146 -9.3146 -9.1250 -9.1250 -9.1250 -9.1250 -7.5580 -7.5580 -7.5580 -7.5580 1.3606 1.3606 1.3606 1.3606 2.2051 2.2051 2.2051 2.2051 2.5901 2.5901 2.5901 2.5901 3.0279 3.0279 3.0279 3.0279 4.2116 4.2116 4.2116 4.2116 4.5224 4.5224 4.5224 4.5224 12.0343 12.0343 12.0343 12.0343 12.7178 12.7178 12.7178 12.7178 13.5235 13.5235 k = 0.5000 0.5000 0.1699 ( 5312 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3595 -10.3595 -10.3595 -10.3595 -9.3152 -9.3152 -9.3152 -9.3152 -9.1249 -9.1249 -9.1249 -9.1249 -7.5564 -7.5564 -7.5564 -7.5564 1.3539 1.3539 1.3539 1.3539 2.2026 2.2026 2.2026 2.2026 2.5900 2.5900 2.5900 2.5900 3.0345 3.0345 3.0345 3.0345 4.2131 4.2131 4.2131 4.2131 4.5199 4.5199 4.5199 4.5199 12.0818 12.0818 12.0818 12.0818 12.7199 12.7199 12.7199 12.7199 13.5025 13.5025 k = 0.5000 0.5000 0.1829 ( 5312 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3597 -10.3597 -10.3597 -10.3597 -9.3159 -9.3159 -9.3159 -9.3159 -9.1248 -9.1248 -9.1248 -9.1248 -7.5549 -7.5549 -7.5549 -7.5549 1.3475 1.3475 1.3475 1.3475 2.2003 2.2003 2.2003 2.2003 2.5900 2.5900 2.5900 2.5900 3.0409 3.0409 3.0409 3.0409 4.2143 4.2143 4.2143 4.2143 4.5177 4.5177 4.5177 4.5177 12.1295 12.1295 12.1295 12.1295 12.7220 12.7220 12.7220 12.7220 13.4813 13.4813 k = 0.5000 0.5000 0.1960 ( 5300 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3598 -10.3598 -10.3598 -10.3598 -9.3165 -9.3165 -9.3165 -9.3165 -9.1247 -9.1247 -9.1247 -9.1247 -7.5535 -7.5535 -7.5535 -7.5535 1.3416 1.3416 1.3416 1.3416 2.1982 2.1982 2.1982 2.1982 2.5900 2.5900 2.5900 2.5900 3.0468 3.0468 3.0468 3.0468 4.2154 4.2154 4.2154 4.2154 4.5157 4.5157 4.5157 4.5157 12.1763 12.1763 12.1763 12.1763 12.7240 12.7240 12.7240 12.7240 13.4603 13.4603 k = 0.5000 0.5000 0.2091 ( 5292 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3600 -10.3600 -10.3600 -10.3600 -9.3170 -9.3170 -9.3170 -9.3170 -9.1246 -9.1246 -9.1246 -9.1246 -7.5523 -7.5523 -7.5523 -7.5523 1.3362 1.3362 1.3362 1.3362 2.1963 2.1963 2.1963 2.1963 2.5900 2.5900 2.5900 2.5900 3.0523 3.0523 3.0523 3.0523 4.2162 4.2162 4.2162 4.2162 4.5139 4.5139 4.5139 4.5139 12.2211 12.2211 12.2211 12.2211 12.7258 12.7258 12.7258 12.7258 13.4398 13.4398 k = 0.5000 0.5000 0.2221 ( 5276 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3601 -10.3601 -10.3601 -10.3601 -9.3175 -9.3175 -9.3175 -9.3175 -9.1245 -9.1245 -9.1245 -9.1245 -7.5511 -7.5511 -7.5511 -7.5511 1.3314 1.3314 1.3314 1.3314 2.1946 2.1946 2.1946 2.1946 2.5900 2.5900 2.5900 2.5900 3.0571 3.0571 3.0571 3.0571 4.2169 4.2169 4.2169 4.2169 4.5125 4.5125 4.5125 4.5125 12.2626 12.2626 12.2626 12.2626 12.7274 12.7274 12.7274 12.7274 13.4204 13.4204 k = 0.5000 0.5000 0.2352 ( 5276 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3602 -10.3602 -10.3602 -10.3602 -9.3179 -9.3179 -9.3179 -9.3179 -9.1245 -9.1245 -9.1245 -9.1245 -7.5502 -7.5502 -7.5502 -7.5502 1.3274 1.3274 1.3274 1.3274 2.1931 2.1931 2.1931 2.1931 2.5900 2.5900 2.5900 2.5900 3.0612 3.0612 3.0612 3.0612 4.2173 4.2173 4.2173 4.2173 4.5112 4.5112 4.5112 4.5112 12.2993 12.2993 12.2993 12.2993 12.7287 12.7287 12.7287 12.7287 13.4029 13.4029 k = 0.5000 0.5000 0.2482 ( 5276 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3603 -10.3603 -10.3603 -10.3603 -9.3182 -9.3182 -9.3182 -9.3182 -9.1244 -9.1244 -9.1244 -9.1244 -7.5494 -7.5494 -7.5494 -7.5494 1.3242 1.3242 1.3242 1.3242 2.1920 2.1920 2.1920 2.1920 2.5900 2.5900 2.5900 2.5900 3.0645 3.0645 3.0645 3.0645 4.2177 4.2177 4.2177 4.2177 4.5103 4.5103 4.5103 4.5103 12.3300 12.3300 12.3300 12.3300 12.7298 12.7298 12.7298 12.7298 13.3879 13.3879 k = 0.5000 0.5000 0.2613 ( 5264 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3604 -10.3604 -10.3604 -10.3604 -9.3184 -9.3184 -9.3184 -9.3184 -9.1243 -9.1243 -9.1243 -9.1243 -7.5489 -7.5489 -7.5489 -7.5489 1.3218 1.3218 1.3218 1.3218 2.1912 2.1912 2.1912 2.1912 2.5900 2.5900 2.5900 2.5900 3.0669 3.0669 3.0669 3.0669 4.2179 4.2179 4.2179 4.2179 4.5097 4.5097 4.5097 4.5097 12.3531 12.3531 12.3531 12.3531 12.7305 12.7305 12.7305 12.7305 13.3764 13.3764 k = 0.5000 0.5000 0.2744 ( 5256 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3604 -10.3604 -10.3604 -10.3604 -9.3186 -9.3186 -9.3186 -9.3186 -9.1243 -9.1243 -9.1243 -9.1243 -7.5485 -7.5485 -7.5485 -7.5485 1.3204 1.3204 1.3204 1.3204 2.1907 2.1907 2.1907 2.1907 2.5900 2.5900 2.5900 2.5900 3.0684 3.0684 3.0684 3.0684 4.2180 4.2180 4.2180 4.2180 4.5093 4.5093 4.5093 4.5093 12.3676 12.3676 12.3676 12.3676 12.7310 12.7310 12.7310 12.7310 13.3691 13.3691 k = 0.5000 0.5000 0.2874 ( 5272 PWs) bands (ev): -27.5582 -27.5582 -27.5582 -27.5582 -16.4787 -16.4787 -16.4787 -16.4787 -10.3604 -10.3604 -10.3604 -10.3604 -9.3186 -9.3186 -9.3186 -9.3186 -9.1243 -9.1243 -9.1243 -9.1243 -7.5484 -7.5484 -7.5484 -7.5484 1.3199 1.3199 1.3199 1.3199 2.1905 2.1905 2.1905 2.1905 2.5900 2.5900 2.5900 2.5900 3.0689 3.0689 3.0689 3.0689 4.2180 4.2180 4.2180 4.2180 4.5091 4.5091 4.5091 4.5091 12.3725 12.3725 12.3725 12.3725 12.7311 12.7311 12.7311 12.7311 13.3666 13.3666 Writing output data file SrBrF.save init_run : 0.42s CPU 0.93s WALL ( 1 calls) electrons : 175.74s CPU 180.19s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.22s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 175.73s CPU 180.18s 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 : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 333 calls) cegterg : 162.45s CPU 164.67s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 76.57s CPU 78.28s WALL ( 7818 calls) s_psi : 4.51s CPU 4.49s WALL ( 7818 calls) g_psi : 0.28s CPU 0.31s WALL ( 7026 calls) cdiaghg : 66.67s CPU 67.34s WALL ( 7359 calls) cegterg:over : 8.33s CPU 8.35s WALL ( 7026 calls) cegterg:upda : 7.64s CPU 7.71s WALL ( 7026 calls) cegterg:last : 3.84s CPU 3.79s WALL ( 1125 calls) cdiaghg:chol : 3.81s CPU 3.81s WALL ( 7359 calls) cdiaghg:inve : 2.68s CPU 2.69s WALL ( 7359 calls) cdiaghg:para : 4.01s CPU 4.29s WALL ( 14718 calls) Called by h_psi: h_psi:vloc : 65.51s CPU 66.90s WALL ( 7818 calls) h_psi:vnl : 10.84s CPU 11.07s WALL ( 7818 calls) add_vuspsi : 5.30s CPU 5.30s WALL ( 7818 calls) General routines calbec : 5.52s CPU 5.75s WALL ( 7818 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 60.78s CPU 62.10s WALL ( 851644 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.37s WALL ( 666 calls) Parallel routines fft_scatter : 25.66s CPU 26.03s WALL ( 851667 calls) PWSCF : 3m16.12s CPU 3m50.42s WALL This run was terminated on: 16: 7:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=