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: ./SrHBr.save/ 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 37 28 8 1779 1170 186 Max 38 29 9 1788 1189 195 Sum 1353 1033 293 64199 42487 6765 bravais-lattice index = 14 lattice parameter (alat) = 8.0389 a.u. unit-cell volume = 890.2644 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.038894 celldm(2)= 1.000000 celldm(3)= 1.713681 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 1.713681 ) 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 0.583539 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 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 H 1.00 1.00790 H( 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= 329 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0030395 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0030395 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0030395 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0030395 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0030395 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0030395 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0030395 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0030395 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0030395 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0030395 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0030395 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0030395 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0030395 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0030395 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0030395 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0030395 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0030395 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0030395 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0030395 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0030395 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0030395 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0030395 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0030395 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0030395 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0030395 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0030395 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0030395 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0030395 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0030395 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0030395 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0030395 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0030395 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0030395 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0030395 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0030395 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0030395 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0030395 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0030395 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0030395 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0030395 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0030395 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0030395 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0030395 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0030395 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0030395 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0030395 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0030395 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0030395 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0030395 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0030395 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0030395 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0030395 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0030395 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0030395 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0030395 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0030395 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0030395 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0030395 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0030395 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0030395 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0030395 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0030395 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0030395 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0030395 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0030395 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0030395 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0030395 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0030395 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0030395 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0030395 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0030395 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0030395 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0030395 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0030395 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0030395 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0030395 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0030395 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0030395 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0030395 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0030395 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0030395 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0030395 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0030395 k( 89) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0030395 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0030395 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0030395 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0030395 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0030395 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0030395 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0030395 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0030395 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0030395 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0030395 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0030395 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0030395 k( 101) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0030395 k( 102) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0030395 k( 103) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0030395 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0030395 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0030395 k( 106) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0030395 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0030395 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0030395 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0030395 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0030395 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0030395 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0030395 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0030395 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0030395 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0030395 k( 116) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0030395 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0030395 k( 118) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0030395 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0030395 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0030395 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0030395 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0030395 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0030395 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0030395 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0030395 k( 126) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0030395 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0030395 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0030395 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0030395 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 132) = ( 0.0000000 0.0000000 0.0132623), wk = 0.0030395 k( 133) = ( 0.0000000 0.0000000 0.0265245), wk = 0.0030395 k( 134) = ( 0.0000000 0.0000000 0.0397868), wk = 0.0030395 k( 135) = ( 0.0000000 0.0000000 0.0530490), wk = 0.0030395 k( 136) = ( 0.0000000 0.0000000 0.0663113), wk = 0.0030395 k( 137) = ( 0.0000000 0.0000000 0.0795735), wk = 0.0030395 k( 138) = ( 0.0000000 0.0000000 0.0928358), wk = 0.0030395 k( 139) = ( 0.0000000 0.0000000 0.1060980), wk = 0.0030395 k( 140) = ( 0.0000000 0.0000000 0.1193603), wk = 0.0030395 k( 141) = ( 0.0000000 0.0000000 0.1326225), wk = 0.0030395 k( 142) = ( 0.0000000 0.0000000 0.1458848), wk = 0.0030395 k( 143) = ( 0.0000000 0.0000000 0.1591470), wk = 0.0030395 k( 144) = ( 0.0000000 0.0000000 0.1724093), wk = 0.0030395 k( 145) = ( 0.0000000 0.0000000 0.1856715), wk = 0.0030395 k( 146) = ( 0.0000000 0.0000000 0.1989338), wk = 0.0030395 k( 147) = ( 0.0000000 0.0000000 0.2121960), wk = 0.0030395 k( 148) = ( 0.0000000 0.0000000 0.2254583), wk = 0.0030395 k( 149) = ( 0.0000000 0.0000000 0.2387205), wk = 0.0030395 k( 150) = ( 0.0000000 0.0000000 0.2519828), wk = 0.0030395 k( 151) = ( 0.0000000 0.0000000 0.2652450), wk = 0.0030395 k( 152) = ( 0.0000000 0.0000000 0.2785073), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.2917695), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.2917695), wk = 0.0030395 k( 155) = ( 0.0000000 0.0135135 0.2917695), wk = 0.0030395 k( 156) = ( 0.0000000 0.0270270 0.2917695), wk = 0.0030395 k( 157) = ( 0.0000000 0.0405405 0.2917695), wk = 0.0030395 k( 158) = ( 0.0000000 0.0540540 0.2917695), wk = 0.0030395 k( 159) = ( 0.0000000 0.0675676 0.2917695), wk = 0.0030395 k( 160) = ( 0.0000000 0.0810811 0.2917695), wk = 0.0030395 k( 161) = ( 0.0000000 0.0945946 0.2917695), wk = 0.0030395 k( 162) = ( 0.0000000 0.1081081 0.2917695), wk = 0.0030395 k( 163) = ( 0.0000000 0.1216216 0.2917695), wk = 0.0030395 k( 164) = ( 0.0000000 0.1351351 0.2917695), wk = 0.0030395 k( 165) = ( 0.0000000 0.1486486 0.2917695), wk = 0.0030395 k( 166) = ( 0.0000000 0.1621622 0.2917695), wk = 0.0030395 k( 167) = ( 0.0000000 0.1756757 0.2917695), wk = 0.0030395 k( 168) = ( 0.0000000 0.1891892 0.2917695), wk = 0.0030395 k( 169) = ( 0.0000000 0.2027027 0.2917695), wk = 0.0030395 k( 170) = ( 0.0000000 0.2162162 0.2917695), wk = 0.0030395 k( 171) = ( 0.0000000 0.2297297 0.2917695), wk = 0.0030395 k( 172) = ( 0.0000000 0.2432432 0.2917695), wk = 0.0030395 k( 173) = ( 0.0000000 0.2567568 0.2917695), wk = 0.0030395 k( 174) = ( 0.0000000 0.2702703 0.2917695), wk = 0.0030395 k( 175) = ( 0.0000000 0.2837838 0.2917695), wk = 0.0030395 k( 176) = ( 0.0000000 0.2972973 0.2917695), wk = 0.0030395 k( 177) = ( 0.0000000 0.3108108 0.2917695), wk = 0.0030395 k( 178) = ( 0.0000000 0.3243243 0.2917695), wk = 0.0030395 k( 179) = ( 0.0000000 0.3378378 0.2917695), wk = 0.0030395 k( 180) = ( 0.0000000 0.3513514 0.2917695), wk = 0.0030395 k( 181) = ( 0.0000000 0.3648649 0.2917695), wk = 0.0030395 k( 182) = ( 0.0000000 0.3783784 0.2917695), wk = 0.0030395 k( 183) = ( 0.0000000 0.3918919 0.2917695), wk = 0.0030395 k( 184) = ( 0.0000000 0.4054054 0.2917695), wk = 0.0030395 k( 185) = ( 0.0000000 0.4189189 0.2917695), wk = 0.0030395 k( 186) = ( 0.0000000 0.4324324 0.2917695), wk = 0.0030395 k( 187) = ( 0.0000000 0.4459459 0.2917695), wk = 0.0030395 k( 188) = ( 0.0000000 0.4594595 0.2917695), wk = 0.0030395 k( 189) = ( 0.0000000 0.4729730 0.2917695), wk = 0.0030395 k( 190) = ( 0.0000000 0.4864865 0.2917695), wk = 0.0030395 k( 191) = ( 0.0000000 0.5000000 0.2917695), wk = 0.0030395 k( 192) = ( 0.0000000 0.5000000 0.2917695), wk = 0.0030395 k( 193) = ( 0.0135135 0.5000000 0.2917695), wk = 0.0030395 k( 194) = ( 0.0270270 0.5000000 0.2917695), wk = 0.0030395 k( 195) = ( 0.0405405 0.5000000 0.2917695), wk = 0.0030395 k( 196) = ( 0.0540540 0.5000000 0.2917695), wk = 0.0030395 k( 197) = ( 0.0675676 0.5000000 0.2917695), wk = 0.0030395 k( 198) = ( 0.0810811 0.5000000 0.2917695), wk = 0.0030395 k( 199) = ( 0.0945946 0.5000000 0.2917695), wk = 0.0030395 k( 200) = ( 0.1081081 0.5000000 0.2917695), wk = 0.0030395 k( 201) = ( 0.1216216 0.5000000 0.2917695), wk = 0.0030395 k( 202) = ( 0.1351351 0.5000000 0.2917695), wk = 0.0030395 k( 203) = ( 0.1486486 0.5000000 0.2917695), wk = 0.0030395 k( 204) = ( 0.1621622 0.5000000 0.2917695), wk = 0.0030395 k( 205) = ( 0.1756757 0.5000000 0.2917695), wk = 0.0030395 k( 206) = ( 0.1891892 0.5000000 0.2917695), wk = 0.0030395 k( 207) = ( 0.2027027 0.5000000 0.2917695), wk = 0.0030395 k( 208) = ( 0.2162162 0.5000000 0.2917695), wk = 0.0030395 k( 209) = ( 0.2297297 0.5000000 0.2917695), wk = 0.0030395 k( 210) = ( 0.2432432 0.5000000 0.2917695), wk = 0.0030395 k( 211) = ( 0.2567568 0.5000000 0.2917695), wk = 0.0030395 k( 212) = ( 0.2702703 0.5000000 0.2917695), wk = 0.0030395 k( 213) = ( 0.2837838 0.5000000 0.2917695), wk = 0.0030395 k( 214) = ( 0.2972973 0.5000000 0.2917695), wk = 0.0030395 k( 215) = ( 0.3108108 0.5000000 0.2917695), wk = 0.0030395 k( 216) = ( 0.3243243 0.5000000 0.2917695), wk = 0.0030395 k( 217) = ( 0.3378378 0.5000000 0.2917695), wk = 0.0030395 k( 218) = ( 0.3513514 0.5000000 0.2917695), wk = 0.0030395 k( 219) = ( 0.3648649 0.5000000 0.2917695), wk = 0.0030395 k( 220) = ( 0.3783784 0.5000000 0.2917695), wk = 0.0030395 k( 221) = ( 0.3918919 0.5000000 0.2917695), wk = 0.0030395 k( 222) = ( 0.4054054 0.5000000 0.2917695), wk = 0.0030395 k( 223) = ( 0.4189189 0.5000000 0.2917695), wk = 0.0030395 k( 224) = ( 0.4324324 0.5000000 0.2917695), wk = 0.0030395 k( 225) = ( 0.4459459 0.5000000 0.2917695), wk = 0.0030395 k( 226) = ( 0.4594595 0.5000000 0.2917695), wk = 0.0030395 k( 227) = ( 0.4729730 0.5000000 0.2917695), wk = 0.0030395 k( 228) = ( 0.4864865 0.5000000 0.2917695), wk = 0.0030395 k( 229) = ( 0.5000000 0.5000000 0.2917695), wk = 0.0030395 k( 230) = ( 0.5000000 0.5000000 0.2917695), wk = 0.0030395 k( 231) = ( 0.4905660 0.4905660 0.2917695), wk = 0.0030395 k( 232) = ( 0.4811321 0.4811321 0.2917695), wk = 0.0030395 k( 233) = ( 0.4716981 0.4716981 0.2917695), wk = 0.0030395 k( 234) = ( 0.4622641 0.4622641 0.2917695), wk = 0.0030395 k( 235) = ( 0.4528302 0.4528302 0.2917695), wk = 0.0030395 k( 236) = ( 0.4433962 0.4433962 0.2917695), wk = 0.0030395 k( 237) = ( 0.4339623 0.4339623 0.2917695), wk = 0.0030395 k( 238) = ( 0.4245283 0.4245283 0.2917695), wk = 0.0030395 k( 239) = ( 0.4150943 0.4150943 0.2917695), wk = 0.0030395 k( 240) = ( 0.4056604 0.4056604 0.2917695), wk = 0.0030395 k( 241) = ( 0.3962264 0.3962264 0.2917695), wk = 0.0030395 k( 242) = ( 0.3867925 0.3867924 0.2917695), wk = 0.0030395 k( 243) = ( 0.3773585 0.3773585 0.2917695), wk = 0.0030395 k( 244) = ( 0.3679245 0.3679245 0.2917695), wk = 0.0030395 k( 245) = ( 0.3584906 0.3584906 0.2917695), wk = 0.0030395 k( 246) = ( 0.3490566 0.3490566 0.2917695), wk = 0.0030395 k( 247) = ( 0.3396226 0.3396226 0.2917695), wk = 0.0030395 k( 248) = ( 0.3301887 0.3301887 0.2917695), wk = 0.0030395 k( 249) = ( 0.3207547 0.3207547 0.2917695), wk = 0.0030395 k( 250) = ( 0.3113207 0.3113207 0.2917695), wk = 0.0030395 k( 251) = ( 0.3018868 0.3018868 0.2917695), wk = 0.0030395 k( 252) = ( 0.2924528 0.2924528 0.2917695), wk = 0.0030395 k( 253) = ( 0.2830189 0.2830189 0.2917695), wk = 0.0030395 k( 254) = ( 0.2735849 0.2735849 0.2917695), wk = 0.0030395 k( 255) = ( 0.2641509 0.2641509 0.2917695), wk = 0.0030395 k( 256) = ( 0.2547170 0.2547170 0.2917695), wk = 0.0030395 k( 257) = ( 0.2452830 0.2452830 0.2917695), wk = 0.0030395 k( 258) = ( 0.2358491 0.2358491 0.2917695), wk = 0.0030395 k( 259) = ( 0.2264151 0.2264151 0.2917695), wk = 0.0030395 k( 260) = ( 0.2169811 0.2169811 0.2917695), wk = 0.0030395 k( 261) = ( 0.2075472 0.2075472 0.2917695), wk = 0.0030395 k( 262) = ( 0.1981132 0.1981132 0.2917695), wk = 0.0030395 k( 263) = ( 0.1886792 0.1886792 0.2917695), wk = 0.0030395 k( 264) = ( 0.1792453 0.1792453 0.2917695), wk = 0.0030395 k( 265) = ( 0.1698113 0.1698113 0.2917695), wk = 0.0030395 k( 266) = ( 0.1603774 0.1603774 0.2917695), wk = 0.0030395 k( 267) = ( 0.1509434 0.1509434 0.2917695), wk = 0.0030395 k( 268) = ( 0.1415094 0.1415094 0.2917695), wk = 0.0030395 k( 269) = ( 0.1320755 0.1320755 0.2917695), wk = 0.0030395 k( 270) = ( 0.1226415 0.1226415 0.2917695), wk = 0.0030395 k( 271) = ( 0.1132076 0.1132075 0.2917695), wk = 0.0030395 k( 272) = ( 0.1037736 0.1037736 0.2917695), wk = 0.0030395 k( 273) = ( 0.0943396 0.0943396 0.2917695), wk = 0.0030395 k( 274) = ( 0.0849057 0.0849057 0.2917695), wk = 0.0030395 k( 275) = ( 0.0754717 0.0754717 0.2917695), wk = 0.0030395 k( 276) = ( 0.0660377 0.0660377 0.2917695), wk = 0.0030395 k( 277) = ( 0.0566038 0.0566038 0.2917695), wk = 0.0030395 k( 278) = ( 0.0471698 0.0471698 0.2917695), wk = 0.0030395 k( 279) = ( 0.0377359 0.0377358 0.2917695), wk = 0.0030395 k( 280) = ( 0.0283019 0.0283019 0.2917695), wk = 0.0030395 k( 281) = ( 0.0188679 0.0188679 0.2917695), wk = 0.0030395 k( 282) = ( 0.0094340 0.0094340 0.2917695), wk = 0.0030395 k( 283) = ( 0.0000000 0.0000000 0.2917695), wk = 0.0030395 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 285) = ( 0.0000000 0.5000000 0.0132623), wk = 0.0030395 k( 286) = ( 0.0000000 0.5000000 0.0265245), wk = 0.0030395 k( 287) = ( 0.0000000 0.5000000 0.0397868), wk = 0.0030395 k( 288) = ( 0.0000000 0.5000000 0.0530490), wk = 0.0030395 k( 289) = ( 0.0000000 0.5000000 0.0663113), wk = 0.0030395 k( 290) = ( 0.0000000 0.5000000 0.0795735), wk = 0.0030395 k( 291) = ( 0.0000000 0.5000000 0.0928358), wk = 0.0030395 k( 292) = ( 0.0000000 0.5000000 0.1060980), wk = 0.0030395 k( 293) = ( 0.0000000 0.5000000 0.1193603), wk = 0.0030395 k( 294) = ( 0.0000000 0.5000000 0.1326225), wk = 0.0030395 k( 295) = ( 0.0000000 0.5000000 0.1458848), wk = 0.0030395 k( 296) = ( 0.0000000 0.5000000 0.1591470), wk = 0.0030395 k( 297) = ( 0.0000000 0.5000000 0.1724093), wk = 0.0030395 k( 298) = ( 0.0000000 0.5000000 0.1856715), wk = 0.0030395 k( 299) = ( 0.0000000 0.5000000 0.1989338), wk = 0.0030395 k( 300) = ( 0.0000000 0.5000000 0.2121960), wk = 0.0030395 k( 301) = ( 0.0000000 0.5000000 0.2254583), wk = 0.0030395 k( 302) = ( 0.0000000 0.5000000 0.2387205), wk = 0.0030395 k( 303) = ( 0.0000000 0.5000000 0.2519828), wk = 0.0030395 k( 304) = ( 0.0000000 0.5000000 0.2652450), wk = 0.0030395 k( 305) = ( 0.0000000 0.5000000 0.2785073), wk = 0.0030395 k( 306) = ( 0.0000000 0.5000000 0.2917695), wk = 0.0030395 k( 307) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 308) = ( 0.5000000 0.5000000 0.0132623), wk = 0.0030395 k( 309) = ( 0.5000000 0.5000000 0.0265245), wk = 0.0030395 k( 310) = ( 0.5000000 0.5000000 0.0397868), wk = 0.0030395 k( 311) = ( 0.5000000 0.5000000 0.0530490), wk = 0.0030395 k( 312) = ( 0.5000000 0.5000000 0.0663113), wk = 0.0030395 k( 313) = ( 0.5000000 0.5000000 0.0795735), wk = 0.0030395 k( 314) = ( 0.5000000 0.5000000 0.0928358), wk = 0.0030395 k( 315) = ( 0.5000000 0.5000000 0.1060980), wk = 0.0030395 k( 316) = ( 0.5000000 0.5000000 0.1193603), wk = 0.0030395 k( 317) = ( 0.5000000 0.5000000 0.1326225), wk = 0.0030395 k( 318) = ( 0.5000000 0.5000000 0.1458848), wk = 0.0030395 k( 319) = ( 0.5000000 0.5000000 0.1591470), wk = 0.0030395 k( 320) = ( 0.5000000 0.5000000 0.1724093), wk = 0.0030395 k( 321) = ( 0.5000000 0.5000000 0.1856715), wk = 0.0030395 k( 322) = ( 0.5000000 0.5000000 0.1989338), wk = 0.0030395 k( 323) = ( 0.5000000 0.5000000 0.2121960), wk = 0.0030395 k( 324) = ( 0.5000000 0.5000000 0.2254583), wk = 0.0030395 k( 325) = ( 0.5000000 0.5000000 0.2387205), wk = 0.0030395 k( 326) = ( 0.5000000 0.5000000 0.2519828), wk = 0.0030395 k( 327) = ( 0.5000000 0.5000000 0.2652450), wk = 0.0030395 k( 328) = ( 0.5000000 0.5000000 0.2785073), wk = 0.0030395 k( 329) = ( 0.5000000 0.5000000 0.2917695), wk = 0.0030395 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0030395 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0030395 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0030395 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0030395 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0030395 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0030395 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0030395 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0030395 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0030395 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0030395 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0030395 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0030395 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0030395 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0030395 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0030395 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0030395 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0030395 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0030395 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0030395 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0030395 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0030395 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0030395 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0030395 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0030395 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0030395 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0030395 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0030395 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0030395 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0030395 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0030395 k( 32) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0030395 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0030395 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0030395 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0030395 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0030395 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0030395 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0030395 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0030395 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0030395 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0030395 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0030395 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0030395 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0030395 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0030395 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0030395 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0030395 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0030395 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0030395 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0030395 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0030395 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0030395 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0030395 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0030395 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0030395 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0030395 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0030395 k( 60) = ( 0.2837838 0.5000000 0.0000000), wk = 0.0030395 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0030395 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0030395 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0030395 k( 64) = ( 0.3378378 0.5000000 0.0000000), wk = 0.0030395 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0030395 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0030395 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0030395 k( 68) = ( 0.3918919 0.5000000 0.0000000), wk = 0.0030395 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0030395 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0030395 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0030395 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0030395 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0030395 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0030395 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0030395 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 78) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0030395 k( 79) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0030395 k( 80) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0030395 k( 81) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0030395 k( 82) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0030395 k( 83) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0030395 k( 84) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0030395 k( 85) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0030395 k( 86) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0030395 k( 87) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0030395 k( 88) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0030395 k( 89) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0030395 k( 90) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0030395 k( 91) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0030395 k( 92) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0030395 k( 93) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0030395 k( 94) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0030395 k( 95) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0030395 k( 96) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0030395 k( 97) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0030395 k( 98) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0030395 k( 99) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0030395 k( 100) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0030395 k( 101) = ( 0.2735849 0.2735849 0.0000000), wk = 0.0030395 k( 102) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0030395 k( 103) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0030395 k( 104) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0030395 k( 105) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0030395 k( 106) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0030395 k( 107) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0030395 k( 108) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0030395 k( 109) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0030395 k( 110) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0030395 k( 111) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0030395 k( 112) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0030395 k( 113) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0030395 k( 114) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0030395 k( 115) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0030395 k( 116) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0030395 k( 117) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0030395 k( 118) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0030395 k( 119) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0030395 k( 120) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0030395 k( 121) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0030395 k( 122) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0030395 k( 123) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0030395 k( 124) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0030395 k( 125) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0030395 k( 126) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0030395 k( 127) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0030395 k( 128) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0030395 k( 129) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0030395 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 132) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0030395 k( 133) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0030395 k( 134) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0030395 k( 135) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0030395 k( 136) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0030395 k( 137) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0030395 k( 138) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0030395 k( 139) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0030395 k( 140) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0030395 k( 141) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0030395 k( 142) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030395 k( 143) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0030395 k( 144) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0030395 k( 145) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0030395 k( 146) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0030395 k( 147) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0030395 k( 148) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0030395 k( 149) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0030395 k( 150) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0030395 k( 151) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0030395 k( 152) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 155) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0030395 k( 156) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0030395 k( 157) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0030395 k( 158) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0030395 k( 159) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0030395 k( 160) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0030395 k( 161) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0030395 k( 162) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0030395 k( 163) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0030395 k( 164) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0030395 k( 165) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0030395 k( 166) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0030395 k( 167) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0030395 k( 168) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0030395 k( 169) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0030395 k( 170) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0030395 k( 171) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0030395 k( 172) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0030395 k( 173) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0030395 k( 174) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0030395 k( 175) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0030395 k( 176) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0030395 k( 177) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0030395 k( 178) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0030395 k( 179) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0030395 k( 180) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0030395 k( 181) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0030395 k( 182) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0030395 k( 183) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0030395 k( 184) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0030395 k( 185) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0030395 k( 186) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0030395 k( 187) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0030395 k( 188) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0030395 k( 189) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0030395 k( 190) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0030395 k( 191) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 192) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 193) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0030395 k( 194) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0030395 k( 195) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0030395 k( 196) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0030395 k( 197) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0030395 k( 198) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0030395 k( 199) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0030395 k( 200) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0030395 k( 201) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0030395 k( 202) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0030395 k( 203) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0030395 k( 204) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0030395 k( 205) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0030395 k( 206) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0030395 k( 207) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0030395 k( 208) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0030395 k( 209) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0030395 k( 210) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0030395 k( 211) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0030395 k( 212) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0030395 k( 213) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0030395 k( 214) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0030395 k( 215) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0030395 k( 216) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0030395 k( 217) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0030395 k( 218) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0030395 k( 219) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0030395 k( 220) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0030395 k( 221) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0030395 k( 222) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0030395 k( 223) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0030395 k( 224) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0030395 k( 225) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0030395 k( 226) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0030395 k( 227) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0030395 k( 228) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0030395 k( 229) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 231) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0030395 k( 232) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0030395 k( 233) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0030395 k( 234) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0030395 k( 235) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0030395 k( 236) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0030395 k( 237) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0030395 k( 238) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0030395 k( 239) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0030395 k( 240) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0030395 k( 241) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0030395 k( 242) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0030395 k( 243) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0030395 k( 244) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0030395 k( 245) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0030395 k( 246) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0030395 k( 247) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0030395 k( 248) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0030395 k( 249) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0030395 k( 250) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0030395 k( 251) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0030395 k( 252) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0030395 k( 253) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0030395 k( 254) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0030395 k( 255) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0030395 k( 256) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0030395 k( 257) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0030395 k( 258) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0030395 k( 259) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0030395 k( 260) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0030395 k( 261) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0030395 k( 262) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0030395 k( 263) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0030395 k( 264) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0030395 k( 265) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0030395 k( 266) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0030395 k( 267) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0030395 k( 268) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0030395 k( 269) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0030395 k( 270) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0030395 k( 271) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0030395 k( 272) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0030395 k( 273) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0030395 k( 274) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0030395 k( 275) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0030395 k( 276) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0030395 k( 277) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0030395 k( 278) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0030395 k( 279) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0030395 k( 280) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0030395 k( 281) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0030395 k( 282) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0030395 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030395 k( 285) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0030395 k( 286) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0030395 k( 287) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0030395 k( 288) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0030395 k( 289) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0030395 k( 290) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0030395 k( 291) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0030395 k( 292) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0030395 k( 293) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0030395 k( 294) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0030395 k( 295) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030395 k( 296) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0030395 k( 297) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0030395 k( 298) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0030395 k( 299) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0030395 k( 300) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0030395 k( 301) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0030395 k( 302) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0030395 k( 303) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0030395 k( 304) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0030395 k( 305) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0030395 k( 306) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030395 k( 307) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030395 k( 308) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0030395 k( 309) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0030395 k( 310) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0030395 k( 311) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0030395 k( 312) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0030395 k( 313) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0030395 k( 314) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0030395 k( 315) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0030395 k( 316) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0030395 k( 317) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0030395 k( 318) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030395 k( 319) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0030395 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0030395 k( 321) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0030395 k( 322) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0030395 k( 323) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0030395 k( 324) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0030395 k( 325) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0030395 k( 326) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0030395 k( 327) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0030395 k( 328) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0030395 k( 329) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 Dense grid: 64199 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 42487 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 300, 44) NL pseudopotentials 0.23 Mb ( 150, 100) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1786) G-vector shells 0.01 Mb ( 865) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 300, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 100, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrHBr.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.7 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 secs Computing kpt #: 18 total cpu time spent up to now is 10.4 secs Computing kpt #: 19 total cpu time spent up to now is 10.8 secs Computing kpt #: 20 total cpu time spent up to now is 11.2 secs Computing kpt #: 21 total cpu time spent up to now is 11.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.9 secs Computing kpt #: 23 total cpu time spent up to now is 12.3 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.1 secs Computing kpt #: 26 total cpu time spent up to now is 13.5 secs Computing kpt #: 27 total cpu time spent up to now is 13.9 secs Computing kpt #: 28 total cpu time spent up to now is 14.2 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.5 secs Computing kpt #: 35 total cpu time spent up to now is 16.9 secs Computing kpt #: 36 total cpu time spent up to now is 17.3 secs Computing kpt #: 37 total cpu time spent up to now is 17.7 secs Computing kpt #: 38 total cpu time spent up to now is 18.0 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.2 secs Computing kpt #: 42 total cpu time spent up to now is 19.6 secs Computing kpt #: 43 total cpu time spent up to now is 20.0 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.7 secs Computing kpt #: 46 total cpu time spent up to now is 21.1 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.8 secs Computing kpt #: 49 total cpu time spent up to now is 22.1 secs Computing kpt #: 50 total cpu time spent up to now is 22.5 secs Computing kpt #: 51 total cpu time spent up to now is 22.8 secs Computing kpt #: 52 total cpu time spent up to now is 23.2 secs Computing kpt #: 53 total cpu time spent up to now is 23.5 secs Computing kpt #: 54 total cpu time spent up to now is 23.9 secs Computing kpt #: 55 total cpu time spent up to now is 24.2 secs Computing kpt #: 56 total cpu time spent up to now is 24.6 secs Computing kpt #: 57 total cpu time spent up to now is 24.9 secs Computing kpt #: 58 total cpu time spent up to now is 25.3 secs Computing kpt #: 59 total cpu time spent up to now is 25.6 secs Computing kpt #: 60 total cpu time spent up to now is 26.0 secs Computing kpt #: 61 total cpu time spent up to now is 26.3 secs Computing kpt #: 62 total cpu time spent up to now is 26.7 secs Computing kpt #: 63 total cpu time spent up to now is 27.1 secs Computing kpt #: 64 total cpu time spent up to now is 27.4 secs Computing kpt #: 65 total cpu time spent up to now is 27.8 secs Computing kpt #: 66 total cpu time spent up to now is 28.1 secs Computing kpt #: 67 total cpu time spent up to now is 28.6 secs Computing kpt #: 68 total cpu time spent up to now is 29.0 secs Computing kpt #: 69 total cpu time spent up to now is 29.4 secs Computing kpt #: 70 total cpu time spent up to now is 29.8 secs Computing kpt #: 71 total cpu time spent up to now is 30.2 secs Computing kpt #: 72 total cpu time spent up to now is 30.7 secs Computing kpt #: 73 total cpu time spent up to now is 31.1 secs Computing kpt #: 74 total cpu time spent up to now is 31.6 secs Computing kpt #: 75 total cpu time spent up to now is 32.1 secs Computing kpt #: 76 total cpu time spent up to now is 32.5 secs Computing kpt #: 77 total cpu time spent up to now is 33.0 secs Computing kpt #: 78 total cpu time spent up to now is 33.5 secs Computing kpt #: 79 total cpu time spent up to now is 34.0 secs Computing kpt #: 80 total cpu time spent up to now is 34.4 secs Computing kpt #: 81 total cpu time spent up to now is 34.9 secs Computing kpt #: 82 total cpu time spent up to now is 35.3 secs Computing kpt #: 83 total cpu time spent up to now is 35.8 secs Computing kpt #: 84 total cpu time spent up to now is 36.3 secs Computing kpt #: 85 total cpu time spent up to now is 36.7 secs Computing kpt #: 86 total cpu time spent up to now is 37.1 secs Computing kpt #: 87 total cpu time spent up to now is 37.6 secs Computing kpt #: 88 total cpu time spent up to now is 38.0 secs Computing kpt #: 89 total cpu time spent up to now is 38.4 secs Computing kpt #: 90 total cpu time spent up to now is 38.9 secs Computing kpt #: 91 total cpu time spent up to now is 39.4 secs Computing kpt #: 92 total cpu time spent up to now is 39.8 secs Computing kpt #: 93 total cpu time spent up to now is 40.2 secs Computing kpt #: 94 total cpu time spent up to now is 40.5 secs Computing kpt #: 95 total cpu time spent up to now is 40.9 secs Computing kpt #: 96 total cpu time spent up to now is 41.2 secs Computing kpt #: 97 total cpu time spent up to now is 41.6 secs Computing kpt #: 98 total cpu time spent up to now is 41.9 secs Computing kpt #: 99 total cpu time spent up to now is 42.3 secs Computing kpt #: 100 total cpu time spent up to now is 42.6 secs Computing kpt #: 101 total cpu time spent up to now is 43.0 secs Computing kpt #: 102 total cpu time spent up to now is 43.3 secs Computing kpt #: 103 total cpu time spent up to now is 43.6 secs Computing kpt #: 104 total cpu time spent up to now is 44.0 secs Computing kpt #: 105 total cpu time spent up to now is 44.3 secs Computing kpt #: 106 total cpu time spent up to now is 44.7 secs Computing kpt #: 107 total cpu time spent up to now is 45.0 secs Computing kpt #: 108 total cpu time spent up to now is 45.4 secs Computing kpt #: 109 total cpu time spent up to now is 45.7 secs Computing kpt #: 110 total cpu time spent up to now is 46.1 secs Computing kpt #: 111 total cpu time spent up to now is 46.4 secs Computing kpt #: 112 total cpu time spent up to now is 46.8 secs Computing kpt #: 113 total cpu time spent up to now is 47.2 secs Computing kpt #: 114 total cpu time spent up to now is 47.5 secs Computing kpt #: 115 total cpu time spent up to now is 47.9 secs Computing kpt #: 116 total cpu time spent up to now is 48.3 secs Computing kpt #: 117 total cpu time spent up to now is 48.7 secs Computing kpt #: 118 total cpu time spent up to now is 49.1 secs Computing kpt #: 119 total cpu time spent up to now is 49.4 secs Computing kpt #: 120 total cpu time spent up to now is 49.8 secs Computing kpt #: 121 total cpu time spent up to now is 50.2 secs Computing kpt #: 122 total cpu time spent up to now is 50.6 secs Computing kpt #: 123 total cpu time spent up to now is 51.0 secs Computing kpt #: 124 total cpu time spent up to now is 51.4 secs Computing kpt #: 125 total cpu time spent up to now is 51.8 secs Computing kpt #: 126 total cpu time spent up to now is 52.1 secs Computing kpt #: 127 total cpu time spent up to now is 52.5 secs Computing kpt #: 128 total cpu time spent up to now is 52.9 secs Computing kpt #: 129 total cpu time spent up to now is 53.3 secs Computing kpt #: 130 total cpu time spent up to now is 53.7 secs Computing kpt #: 131 total cpu time spent up to now is 54.1 secs Computing kpt #: 132 total cpu time spent up to now is 54.5 secs Computing kpt #: 133 total cpu time spent up to now is 54.8 secs Computing kpt #: 134 total cpu time spent up to now is 55.2 secs Computing kpt #: 135 total cpu time spent up to now is 55.6 secs Computing kpt #: 136 total cpu time spent up to now is 56.0 secs Computing kpt #: 137 total cpu time spent up to now is 56.4 secs Computing kpt #: 138 total cpu time spent up to now is 56.8 secs Computing kpt #: 139 total cpu time spent up to now is 57.2 secs Computing kpt #: 140 total cpu time spent up to now is 57.6 secs Computing kpt #: 141 total cpu time spent up to now is 57.9 secs Computing kpt #: 142 total cpu time spent up to now is 58.3 secs Computing kpt #: 143 total cpu time spent up to now is 58.7 secs Computing kpt #: 144 total cpu time spent up to now is 59.1 secs Computing kpt #: 145 total cpu time spent up to now is 59.5 secs Computing kpt #: 146 total cpu time spent up to now is 59.9 secs Computing kpt #: 147 total cpu time spent up to now is 60.4 secs Computing kpt #: 148 total cpu time spent up to now is 60.8 secs Computing kpt #: 149 total cpu time spent up to now is 61.2 secs Computing kpt #: 150 total cpu time spent up to now is 61.6 secs Computing kpt #: 151 total cpu time spent up to now is 62.0 secs Computing kpt #: 152 total cpu time spent up to now is 62.4 secs Computing kpt #: 153 total cpu time spent up to now is 62.8 secs Computing kpt #: 154 total cpu time spent up to now is 63.2 secs Computing kpt #: 155 total cpu time spent up to now is 63.6 secs Computing kpt #: 156 total cpu time spent up to now is 64.0 secs Computing kpt #: 157 total cpu time spent up to now is 64.4 secs Computing kpt #: 158 total cpu time spent up to now is 64.7 secs Computing kpt #: 159 total cpu time spent up to now is 65.1 secs Computing kpt #: 160 total cpu time spent up to now is 65.5 secs Computing kpt #: 161 total cpu time spent up to now is 65.9 secs Computing kpt #: 162 total cpu time spent up to now is 66.2 secs Computing kpt #: 163 total cpu time spent up to now is 66.6 secs Computing kpt #: 164 total cpu time spent up to now is 67.0 secs Computing kpt #: 165 total cpu time spent up to now is 67.4 secs Computing kpt #: 166 total cpu time spent up to now is 67.7 secs Computing kpt #: 167 total cpu time spent up to now is 68.1 secs Computing kpt #: 168 total cpu time spent up to now is 68.5 secs Computing kpt #: 169 total cpu time spent up to now is 68.9 secs Computing kpt #: 170 total cpu time spent up to now is 69.2 secs Computing kpt #: 171 total cpu time spent up to now is 69.6 secs Computing kpt #: 172 total cpu time spent up to now is 70.0 secs Computing kpt #: 173 total cpu time spent up to now is 70.4 secs Computing kpt #: 174 total cpu time spent up to now is 70.8 secs Computing kpt #: 175 total cpu time spent up to now is 71.2 secs Computing kpt #: 176 total cpu time spent up to now is 71.6 secs Computing kpt #: 177 total cpu time spent up to now is 72.0 secs Computing kpt #: 178 total cpu time spent up to now is 72.3 secs Computing kpt #: 179 total cpu time spent up to now is 72.7 secs Computing kpt #: 180 total cpu time spent up to now is 73.1 secs Computing kpt #: 181 total cpu time spent up to now is 73.5 secs Computing kpt #: 182 total cpu time spent up to now is 73.9 secs Computing kpt #: 183 total cpu time spent up to now is 74.3 secs Computing kpt #: 184 total cpu time spent up to now is 74.7 secs Computing kpt #: 185 total cpu time spent up to now is 75.0 secs Computing kpt #: 186 total cpu time spent up to now is 75.4 secs Computing kpt #: 187 total cpu time spent up to now is 75.8 secs Computing kpt #: 188 total cpu time spent up to now is 76.2 secs Computing kpt #: 189 total cpu time spent up to now is 76.6 secs Computing kpt #: 190 total cpu time spent up to now is 77.0 secs Computing kpt #: 191 total cpu time spent up to now is 77.4 secs Computing kpt #: 192 total cpu time spent up to now is 77.8 secs Computing kpt #: 193 total cpu time spent up to now is 78.2 secs Computing kpt #: 194 total cpu time spent up to now is 78.6 secs Computing kpt #: 195 total cpu time spent up to now is 78.9 secs Computing kpt #: 196 total cpu time spent up to now is 79.3 secs Computing kpt #: 197 total cpu time spent up to now is 79.7 secs Computing kpt #: 198 total cpu time spent up to now is 80.0 secs Computing kpt #: 199 total cpu time spent up to now is 80.4 secs Computing kpt #: 200 total cpu time spent up to now is 80.7 secs Computing kpt #: 201 total cpu time spent up to now is 81.1 secs Computing kpt #: 202 total cpu time spent up to now is 81.5 secs Computing kpt #: 203 total cpu time spent up to now is 81.8 secs Computing kpt #: 204 total cpu time spent up to now is 82.2 secs Computing kpt #: 205 total cpu time spent up to now is 82.5 secs Computing kpt #: 206 total cpu time spent up to now is 82.9 secs Computing kpt #: 207 total cpu time spent up to now is 83.3 secs Computing kpt #: 208 total cpu time spent up to now is 83.6 secs Computing kpt #: 209 total cpu time spent up to now is 84.0 secs Computing kpt #: 210 total cpu time spent up to now is 84.4 secs Computing kpt #: 211 total cpu time spent up to now is 84.7 secs Computing kpt #: 212 total cpu time spent up to now is 85.1 secs Computing kpt #: 213 total cpu time spent up to now is 85.5 secs Computing kpt #: 214 total cpu time spent up to now is 85.8 secs Computing kpt #: 215 total cpu time spent up to now is 86.2 secs Computing kpt #: 216 total cpu time spent up to now is 86.6 secs Computing kpt #: 217 total cpu time spent up to now is 87.0 secs Computing kpt #: 218 total cpu time spent up to now is 87.3 secs Computing kpt #: 219 total cpu time spent up to now is 87.7 secs Computing kpt #: 220 total cpu time spent up to now is 88.1 secs Computing kpt #: 221 total cpu time spent up to now is 88.4 secs Computing kpt #: 222 total cpu time spent up to now is 88.8 secs Computing kpt #: 223 total cpu time spent up to now is 89.1 secs Computing kpt #: 224 total cpu time spent up to now is 89.5 secs Computing kpt #: 225 total cpu time spent up to now is 89.8 secs Computing kpt #: 226 total cpu time spent up to now is 90.1 secs Computing kpt #: 227 total cpu time spent up to now is 90.4 secs Computing kpt #: 228 total cpu time spent up to now is 90.8 secs Computing kpt #: 229 total cpu time spent up to now is 91.1 secs Computing kpt #: 230 total cpu time spent up to now is 91.4 secs Computing kpt #: 231 total cpu time spent up to now is 91.7 secs Computing kpt #: 232 total cpu time spent up to now is 92.0 secs Computing kpt #: 233 total cpu time spent up to now is 92.4 secs Computing kpt #: 234 total cpu time spent up to now is 92.7 secs Computing kpt #: 235 total cpu time spent up to now is 93.0 secs Computing kpt #: 236 total cpu time spent up to now is 93.4 secs Computing kpt #: 237 total cpu time spent up to now is 93.7 secs Computing kpt #: 238 total cpu time spent up to now is 94.1 secs Computing kpt #: 239 total cpu time spent up to now is 94.4 secs Computing kpt #: 240 total cpu time spent up to now is 94.8 secs Computing kpt #: 241 total cpu time spent up to now is 95.2 secs Computing kpt #: 242 total cpu time spent up to now is 95.5 secs Computing kpt #: 243 total cpu time spent up to now is 95.9 secs Computing kpt #: 244 total cpu time spent up to now is 96.4 secs Computing kpt #: 245 total cpu time spent up to now is 96.8 secs Computing kpt #: 246 total cpu time spent up to now is 97.2 secs Computing kpt #: 247 total cpu time spent up to now is 97.7 secs Computing kpt #: 248 total cpu time spent up to now is 98.1 secs Computing kpt #: 249 total cpu time spent up to now is 98.6 secs Computing kpt #: 250 total cpu time spent up to now is 99.0 secs Computing kpt #: 251 total cpu time spent up to now is 99.5 secs Computing kpt #: 252 total cpu time spent up to now is 99.9 secs Computing kpt #: 253 total cpu time spent up to now is 100.4 secs Computing kpt #: 254 total cpu time spent up to now is 100.8 secs Computing kpt #: 255 total cpu time spent up to now is 101.3 secs Computing kpt #: 256 total cpu time spent up to now is 101.7 secs Computing kpt #: 257 total cpu time spent up to now is 102.1 secs Computing kpt #: 258 total cpu time spent up to now is 102.6 secs Computing kpt #: 259 total cpu time spent up to now is 103.0 secs Computing kpt #: 260 total cpu time spent up to now is 103.4 secs Computing kpt #: 261 total cpu time spent up to now is 103.8 secs Computing kpt #: 262 total cpu time spent up to now is 104.2 secs Computing kpt #: 263 total cpu time spent up to now is 104.6 secs Computing kpt #: 264 total cpu time spent up to now is 104.9 secs Computing kpt #: 265 total cpu time spent up to now is 105.3 secs Computing kpt #: 266 total cpu time spent up to now is 105.7 secs Computing kpt #: 267 total cpu time spent up to now is 106.1 secs Computing kpt #: 268 total cpu time spent up to now is 106.5 secs Computing kpt #: 269 total cpu time spent up to now is 106.9 secs Computing kpt #: 270 total cpu time spent up to now is 107.2 secs Computing kpt #: 271 total cpu time spent up to now is 107.6 secs Computing kpt #: 272 total cpu time spent up to now is 108.0 secs Computing kpt #: 273 total cpu time spent up to now is 108.4 secs Computing kpt #: 274 total cpu time spent up to now is 109.2 secs Computing kpt #: 275 total cpu time spent up to now is 109.6 secs Computing kpt #: 276 total cpu time spent up to now is 110.0 secs Computing kpt #: 277 total cpu time spent up to now is 110.4 secs Computing kpt #: 278 total cpu time spent up to now is 110.8 secs Computing kpt #: 279 total cpu time spent up to now is 111.1 secs Computing kpt #: 280 total cpu time spent up to now is 111.5 secs Computing kpt #: 281 total cpu time spent up to now is 111.9 secs Computing kpt #: 282 total cpu time spent up to now is 112.3 secs Computing kpt #: 283 total cpu time spent up to now is 112.7 secs Computing kpt #: 284 total cpu time spent up to now is 113.1 secs Computing kpt #: 285 total cpu time spent up to now is 113.5 secs Computing kpt #: 286 total cpu time spent up to now is 113.8 secs Computing kpt #: 287 total cpu time spent up to now is 114.2 secs Computing kpt #: 288 total cpu time spent up to now is 114.6 secs Computing kpt #: 289 total cpu time spent up to now is 115.0 secs Computing kpt #: 290 total cpu time spent up to now is 115.4 secs Computing kpt #: 291 total cpu time spent up to now is 115.8 secs Computing kpt #: 292 total cpu time spent up to now is 116.2 secs Computing kpt #: 293 total cpu time spent up to now is 116.6 secs Computing kpt #: 294 total cpu time spent up to now is 117.0 secs Computing kpt #: 295 total cpu time spent up to now is 117.3 secs Computing kpt #: 296 total cpu time spent up to now is 117.7 secs Computing kpt #: 297 total cpu time spent up to now is 118.1 secs Computing kpt #: 298 total cpu time spent up to now is 118.5 secs Computing kpt #: 299 total cpu time spent up to now is 118.9 secs Computing kpt #: 300 total cpu time spent up to now is 119.2 secs Computing kpt #: 301 total cpu time spent up to now is 119.7 secs Computing kpt #: 302 total cpu time spent up to now is 120.1 secs Computing kpt #: 303 total cpu time spent up to now is 120.5 secs Computing kpt #: 304 total cpu time spent up to now is 120.9 secs Computing kpt #: 305 total cpu time spent up to now is 121.3 secs Computing kpt #: 306 total cpu time spent up to now is 121.7 secs Computing kpt #: 307 total cpu time spent up to now is 122.2 secs Computing kpt #: 308 total cpu time spent up to now is 122.6 secs Computing kpt #: 309 total cpu time spent up to now is 123.1 secs Computing kpt #: 310 total cpu time spent up to now is 123.6 secs Computing kpt #: 311 total cpu time spent up to now is 124.0 secs Computing kpt #: 312 total cpu time spent up to now is 124.5 secs Computing kpt #: 313 total cpu time spent up to now is 125.0 secs Computing kpt #: 314 total cpu time spent up to now is 125.4 secs Computing kpt #: 315 total cpu time spent up to now is 125.8 secs Computing kpt #: 316 total cpu time spent up to now is 126.3 secs Computing kpt #: 317 total cpu time spent up to now is 126.7 secs Computing kpt #: 318 total cpu time spent up to now is 127.1 secs Computing kpt #: 319 total cpu time spent up to now is 127.5 secs Computing kpt #: 320 total cpu time spent up to now is 127.9 secs Computing kpt #: 321 total cpu time spent up to now is 128.3 secs Computing kpt #: 322 total cpu time spent up to now is 128.7 secs Computing kpt #: 323 total cpu time spent up to now is 129.0 secs Computing kpt #: 324 total cpu time spent up to now is 129.4 secs Computing kpt #: 325 total cpu time spent up to now is 129.7 secs Computing kpt #: 326 total cpu time spent up to now is 130.0 secs Computing kpt #: 327 total cpu time spent up to now is 130.4 secs Computing kpt #: 328 total cpu time spent up to now is 130.7 secs Computing kpt #: 329 total cpu time spent up to now is 131.0 secs ethr = 2.78E-08, avg # of iterations = 20.1 total cpu time spent up to now is 131.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2883 -11.2883 -10.3946 -10.3946 -10.2658 -10.2658 -10.2049 -10.2049 -10.0775 -10.0775 -8.9232 -8.9232 -8.5969 -8.5969 1.3669 1.3669 3.0162 3.0162 3.0761 3.0761 3.3591 3.3591 3.5665 3.5665 3.5756 3.5756 3.7810 3.7810 4.0083 4.0083 9.2704 9.2704 9.6762 9.6762 9.8676 9.8676 9.9204 9.9204 k = 0.0000 0.0135-0.0000 ( 5293 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2885 -11.2885 -10.3946 -10.3946 -10.2666 -10.2666 -10.2043 -10.2043 -10.0779 -10.0779 -8.9225 -8.9225 -8.5967 -8.5967 1.3680 1.3680 3.0115 3.0115 3.0768 3.0768 3.3566 3.3566 3.5687 3.5687 3.5742 3.5742 3.7718 3.7718 4.0206 4.0206 9.2731 9.2731 9.6740 9.6740 9.8624 9.8624 9.9145 9.9145 k = 0.0000 0.0270-0.0000 ( 5285 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4598 -11.4598 -11.2891 -11.2891 -10.3945 -10.3945 -10.2689 -10.2689 -10.2027 -10.2027 -10.0793 -10.0793 -8.9204 -8.9204 -8.5961 -8.5961 1.3710 1.3710 2.9983 2.9983 3.0781 3.0781 3.3498 3.3498 3.5611 3.5611 3.5830 3.5830 3.7498 3.7498 4.0523 4.0523 9.2811 9.2811 9.6670 9.6670 9.8463 9.8463 9.9003 9.9003 k = 0.0000 0.0405-0.0000 ( 5289 PWs) bands (ev): -28.5798 -28.5798 -28.5268 -28.5268 -11.4599 -11.4599 -11.2901 -11.2901 -10.3944 -10.3944 -10.2725 -10.2725 -10.2003 -10.2003 -10.0815 -10.0815 -8.9168 -8.9168 -8.5951 -8.5951 1.3761 1.3761 2.9786 2.9786 3.0778 3.0778 3.3397 3.3397 3.5439 3.5439 3.5997 3.5997 3.7247 3.7247 4.0944 4.0944 9.2943 9.2943 9.6530 9.6530 9.8219 9.8219 9.8837 9.8837 k = 0.0000 0.0541-0.0000 ( 5292 PWs) bands (ev): -28.5795 -28.5795 -28.5269 -28.5269 -11.4601 -11.4601 -11.2915 -11.2915 -10.3943 -10.3943 -10.2770 -10.2770 -10.1975 -10.1975 -10.0845 -10.0845 -8.9120 -8.9120 -8.5938 -8.5938 1.3832 1.3832 2.9537 2.9537 3.0747 3.0747 3.3277 3.3277 3.5196 3.5196 3.6205 3.6205 3.7027 3.7027 4.1415 4.1415 9.3121 9.3121 9.6295 9.6295 9.7966 9.7966 9.8660 9.8660 k = 0.0000 0.0676-0.0000 ( 5284 PWs) bands (ev): -28.5792 -28.5792 -28.5270 -28.5270 -11.4603 -11.4603 -11.2933 -11.2933 -10.3942 -10.3942 -10.2822 -10.2822 -10.1945 -10.1945 -10.0882 -10.0882 -8.9058 -8.9058 -8.5920 -8.5920 1.3922 1.3922 2.9244 2.9244 3.0677 3.0677 3.3145 3.3145 3.4903 3.4903 3.6433 3.6433 3.6862 3.6862 4.1906 4.1906 9.3341 9.3341 9.5955 9.5955 9.7766 9.7766 9.8466 9.8466 k = 0.0000 0.0811-0.0000 ( 5290 PWs) bands (ev): -28.5788 -28.5788 -28.5271 -28.5271 -11.4606 -11.4606 -11.2955 -11.2955 -10.3942 -10.3942 -10.2877 -10.2877 -10.1916 -10.1916 -10.0925 -10.0925 -8.8984 -8.8984 -8.5900 -8.5900 1.4032 1.4032 2.8912 2.8912 3.0557 3.0557 3.3006 3.3006 3.4593 3.4593 3.6589 3.6589 3.6826 3.6826 4.2402 4.2402 9.3594 9.3594 9.5534 9.5534 9.7631 9.7631 9.8254 9.8254 k = 0.0000 0.0946-0.0000 ( 5292 PWs) bands (ev): -28.5784 -28.5784 -28.5273 -28.5273 -11.4609 -11.4609 -11.2980 -11.2980 -10.3943 -10.3943 -10.2934 -10.2934 -10.1891 -10.1891 -10.0972 -10.0972 -8.8899 -8.8899 -8.5876 -8.5876 1.4161 1.4161 2.8548 2.8548 3.0379 3.0379 3.2865 3.2865 3.4296 3.4296 3.6533 3.6533 3.7040 3.7040 4.2894 4.2894 9.3869 9.3869 9.5071 9.5071 9.7542 9.7542 9.8027 9.8027 k = 0.0000 0.1081-0.0000 ( 5288 PWs) bands (ev): -28.5779 -28.5779 -28.5275 -28.5275 -11.4613 -11.4613 -11.3010 -11.3010 -10.3946 -10.3946 -10.2990 -10.2990 -10.1871 -10.1871 -10.1020 -10.1020 -8.8804 -8.8804 -8.5850 -8.5850 1.4307 1.4307 2.8157 2.8157 3.0133 3.0133 3.2730 3.2730 3.4030 3.4030 3.6438 3.6438 3.7318 3.7318 4.3375 4.3375 9.4153 9.4153 9.4604 9.4604 9.7480 9.7480 9.7788 9.7788 k = 0.0000 0.1216-0.0000 ( 5288 PWs) bands (ev): -28.5773 -28.5773 -28.5277 -28.5277 -11.4617 -11.4617 -11.3042 -11.3042 -10.3952 -10.3952 -10.3045 -10.3045 -10.1858 -10.1858 -10.1068 -10.1068 -8.8700 -8.8700 -8.5821 -8.5821 1.4471 1.4471 2.7742 2.7742 2.9819 2.9819 3.2606 3.2606 3.3802 3.3802 3.6341 3.6341 3.7610 3.7610 4.3841 4.3841 9.4135 9.4135 9.4449 9.4449 9.7425 9.7425 9.7554 9.7554 k = 0.0000 0.1351-0.0000 ( 5290 PWs) bands (ev): -28.5766 -28.5766 -28.5279 -28.5279 -11.4622 -11.4622 -11.3078 -11.3078 -10.3961 -10.3961 -10.3097 -10.3097 -10.1854 -10.1854 -10.1113 -10.1113 -8.8587 -8.8587 -8.5789 -8.5789 1.4651 1.4651 2.7309 2.7309 2.9444 2.9444 3.2500 3.2500 3.3609 3.3609 3.6244 3.6244 3.7910 3.7910 4.4289 4.4289 9.3716 9.3716 9.4705 9.4705 9.7267 9.7267 9.7428 9.7428 k = 0.0000 0.1486-0.0000 ( 5286 PWs) bands (ev): -28.5759 -28.5759 -28.5282 -28.5282 -11.4627 -11.4627 -11.3118 -11.3118 -10.3974 -10.3974 -10.3146 -10.3146 -10.1860 -10.1860 -10.1153 -10.1153 -8.8467 -8.8467 -8.5756 -8.5756 1.4847 1.4847 2.6862 2.6862 2.9020 2.9020 3.2414 3.2414 3.3440 3.3440 3.6145 3.6145 3.8216 3.8216 4.4717 4.4717 9.3334 9.3334 9.4931 9.4931 9.7030 9.7030 9.7391 9.7391 k = 0.0000 0.1622-0.0000 ( 5290 PWs) bands (ev): -28.5752 -28.5752 -28.5285 -28.5285 -11.4632 -11.4632 -11.3160 -11.3160 -10.3991 -10.3991 -10.3190 -10.3190 -10.1877 -10.1877 -10.1186 -10.1186 -8.8341 -8.8341 -8.5721 -8.5721 1.5057 1.5057 2.6403 2.6403 2.8560 2.8560 3.2345 3.2345 3.3289 3.3289 3.6043 3.6043 3.8524 3.8524 4.5121 4.5121 9.2999 9.2999 9.5111 9.5111 9.6792 9.6792 9.7364 9.7364 k = 0.0000 0.1757-0.0000 ( 5290 PWs) bands (ev): -28.5744 -28.5744 -28.5288 -28.5288 -11.4638 -11.4638 -11.3206 -11.3206 -10.4014 -10.4014 -10.3229 -10.3229 -10.1904 -10.1904 -10.1212 -10.1212 -8.8209 -8.8209 -8.5685 -8.5685 1.5279 1.5279 2.5937 2.5937 2.8081 2.8081 3.2292 3.2292 3.3146 3.3146 3.5936 3.5936 3.8835 3.8835 4.5501 4.5501 9.2718 9.2718 9.5238 9.5238 9.6565 9.6565 9.7340 9.7340 k = 0.0000 0.1892-0.0000 ( 5292 PWs) bands (ev): -28.5735 -28.5735 -28.5292 -28.5292 -11.4644 -11.4644 -11.3254 -11.3254 -10.4041 -10.4041 -10.3264 -10.3264 -10.1938 -10.1938 -10.1231 -10.1231 -8.8074 -8.8074 -8.5648 -8.5648 1.5513 1.5513 2.5467 2.5467 2.7593 2.7593 3.2251 3.2251 3.3007 3.3007 3.5825 3.5825 3.9149 3.9149 4.5855 4.5855 9.2495 9.2495 9.5315 9.5315 9.6353 9.6353 9.7318 9.7318 k = 0.0000 0.2027-0.0000 ( 5296 PWs) bands (ev): -28.5726 -28.5726 -28.5296 -28.5296 -11.4650 -11.4650 -11.3305 -11.3305 -10.4072 -10.4072 -10.3296 -10.3296 -10.1979 -10.1979 -10.1245 -10.1245 -8.7936 -8.7936 -8.5610 -8.5610 1.5756 1.5756 2.4994 2.4994 2.7106 2.7106 3.2218 3.2218 3.2867 3.2867 3.5709 3.5709 3.9463 3.9463 4.6182 4.6182 9.2334 9.2334 9.5348 9.5348 9.6160 9.6160 9.7297 9.7297 k = 0.0000 0.2162-0.0000 ( 5304 PWs) bands (ev): -28.5716 -28.5716 -28.5300 -28.5300 -11.4655 -11.4655 -11.3357 -11.3357 -10.4106 -10.4106 -10.3325 -10.3325 -10.2021 -10.2021 -10.1254 -10.1254 -8.7795 -8.7795 -8.5573 -8.5573 1.6005 1.6005 2.4523 2.4523 2.6629 2.6629 3.2193 3.2193 3.2724 3.2724 3.5587 3.5587 3.9779 3.9779 4.6479 4.6479 9.2236 9.2236 9.5349 9.5349 9.5988 9.5988 9.7278 9.7278 k = 0.0000 0.2297-0.0000 ( 5308 PWs) bands (ev): -28.5706 -28.5706 -28.5304 -28.5304 -11.4661 -11.4661 -11.3412 -11.3412 -10.4143 -10.4143 -10.3355 -10.3355 -10.2063 -10.2063 -10.1261 -10.1261 -8.7653 -8.7653 -8.5537 -8.5537 1.6259 1.6259 2.4055 2.4055 2.6170 2.6170 3.2171 3.2171 3.2576 3.2576 3.5460 3.5460 4.0096 4.0096 4.6748 4.6748 9.2203 9.2203 9.5331 9.5331 9.5841 9.5841 9.7261 9.7261 k = 0.0000 0.2432-0.0000 ( 5304 PWs) bands (ev): -28.5696 -28.5696 -28.5309 -28.5309 -11.4667 -11.4667 -11.3469 -11.3469 -10.4181 -10.4181 -10.3385 -10.3385 -10.2101 -10.2101 -10.1266 -10.1266 -8.7511 -8.7511 -8.5501 -8.5501 1.6514 1.6514 2.3594 2.3594 2.5736 2.5736 3.2148 3.2148 3.2425 3.2425 3.5328 3.5328 4.0413 4.0413 4.6986 4.6986 9.2236 9.2236 9.5304 9.5304 9.5720 9.5720 9.7245 9.7245 k = 0.0000 0.2568-0.0000 ( 5318 PWs) bands (ev): -28.5685 -28.5685 -28.5315 -28.5315 -11.4672 -11.4672 -11.3527 -11.3527 -10.4219 -10.4219 -10.3418 -10.3418 -10.2134 -10.2134 -10.1272 -10.1272 -8.7370 -8.7370 -8.5467 -8.5467 1.6766 1.6766 2.3140 2.3140 2.5332 2.5332 3.2106 3.2106 3.2288 3.2288 3.5190 3.5190 4.0730 4.0730 4.7192 4.7192 9.2335 9.2335 9.5278 9.5278 9.5628 9.5628 9.7232 9.7232 k = 0.0000 0.2703-0.0000 ( 5322 PWs) bands (ev): -28.5674 -28.5674 -28.5320 -28.5320 -11.4676 -11.4676 -11.3587 -11.3587 -10.4257 -10.4257 -10.3455 -10.3455 -10.2159 -10.2159 -10.1278 -10.1278 -8.7229 -8.7229 -8.5434 -8.5434 1.7011 1.7011 2.2696 2.2696 2.4966 2.4966 3.1994 3.1994 3.2214 3.2214 3.5048 3.5048 4.1048 4.1048 4.7368 4.7368 9.2500 9.2500 9.5260 9.5260 9.5567 9.5567 9.7222 9.7222 k = 0.0000 0.2838-0.0000 ( 5320 PWs) bands (ev): -28.5662 -28.5662 -28.5326 -28.5326 -11.4680 -11.4680 -11.3647 -11.3647 -10.4292 -10.4292 -10.3496 -10.3496 -10.2175 -10.2175 -10.1286 -10.1286 -8.7090 -8.7090 -8.5403 -8.5403 1.7243 1.7243 2.2265 2.2265 2.4645 2.4645 3.1819 3.1819 3.2193 3.2193 3.4901 3.4901 4.1365 4.1365 4.7512 4.7512 9.2728 9.2728 9.5257 9.5257 9.5536 9.5536 9.7216 9.7216 k = 0.0000 0.2973-0.0000 ( 5314 PWs) bands (ev): -28.5651 -28.5651 -28.5332 -28.5332 -11.4683 -11.4683 -11.3708 -11.3708 -10.4325 -10.4325 -10.3542 -10.3542 -10.2183 -10.2183 -10.1296 -10.1296 -8.6954 -8.6954 -8.5376 -8.5376 1.7458 1.7458 2.1848 2.1848 2.4374 2.4374 3.1617 3.1617 3.2190 3.2190 3.4752 3.4752 4.1683 4.1683 4.7624 4.7624 9.3019 9.3019 9.5273 9.5273 9.5538 9.5538 9.7215 9.7215 k = 0.0000 0.3108-0.0000 ( 5314 PWs) bands (ev): -28.5639 -28.5639 -28.5339 -28.5339 -11.4685 -11.4685 -11.3769 -11.3769 -10.4355 -10.4355 -10.3592 -10.3592 -10.2183 -10.2183 -10.1307 -10.1307 -8.6821 -8.6821 -8.5351 -8.5351 1.7648 1.7648 2.1446 2.1446 2.4161 2.4161 3.1397 3.1397 3.2195 3.2195 3.4600 3.4600 4.1999 4.1999 4.7706 4.7706 9.3368 9.3368 9.5310 9.5310 9.5572 9.5572 9.7220 9.7220 k = 0.0000 0.3243-0.0000 ( 5322 PWs) bands (ev): -28.5627 -28.5627 -28.5346 -28.5346 -11.4685 -11.4685 -11.3830 -11.3830 -10.4382 -10.4382 -10.3646 -10.3646 -10.2174 -10.2174 -10.1321 -10.1321 -8.6692 -8.6692 -8.5329 -8.5329 1.7809 1.7809 2.1062 2.1062 2.4013 2.4013 3.1160 3.1160 3.2205 3.2205 3.4447 3.4447 4.2315 4.2315 4.7756 4.7756 9.3772 9.3772 9.5369 9.5369 9.5637 9.5637 9.7233 9.7233 k = 0.0000 0.3378-0.0000 ( 5306 PWs) bands (ev): -28.5615 -28.5615 -28.5353 -28.5353 -11.4684 -11.4684 -11.3890 -11.3890 -10.4405 -10.4405 -10.3702 -10.3702 -10.2159 -10.2159 -10.1338 -10.1338 -8.6566 -8.6566 -8.5311 -8.5311 1.7937 1.7937 2.0697 2.0697 2.3932 2.3932 3.0908 3.0908 3.2220 3.2220 3.4295 3.4295 4.2629 4.2629 4.7776 4.7776 9.4222 9.4222 9.5450 9.5450 9.5734 9.5734 9.7257 9.7257 k = 0.0000 0.3514-0.0000 ( 5304 PWs) bands (ev): -28.5602 -28.5602 -28.5361 -28.5361 -11.4681 -11.4681 -11.3950 -11.3950 -10.4423 -10.4423 -10.3760 -10.3760 -10.2137 -10.2137 -10.1357 -10.1357 -8.6445 -8.6445 -8.5297 -8.5297 1.8029 1.8029 2.0353 2.0353 2.3922 2.3922 3.0639 3.0639 3.2239 3.2239 3.4143 3.4143 4.2942 4.2942 4.7767 4.7767 9.4710 9.4710 9.5551 9.5551 9.5863 9.5863 9.7297 9.7297 k = 0.0000 0.3649-0.0000 ( 5308 PWs) bands (ev): -28.5590 -28.5590 -28.5369 -28.5369 -11.4676 -11.4676 -11.4009 -11.4009 -10.4437 -10.4437 -10.3819 -10.3819 -10.2110 -10.2110 -10.1378 -10.1378 -8.6329 -8.6329 -8.5288 -8.5288 1.8087 1.8087 2.0030 2.0030 2.3980 2.3980 3.0355 3.0355 3.2263 3.2263 3.3994 3.3994 4.3253 4.3253 4.7729 4.7729 9.5216 9.5216 9.5672 9.5672 9.6025 9.6025 9.7364 9.7364 k = 0.0000 0.3784-0.0000 ( 5304 PWs) bands (ev): -28.5577 -28.5577 -28.5378 -28.5378 -11.4669 -11.4669 -11.4066 -11.4066 -10.4447 -10.4447 -10.3878 -10.3878 -10.2079 -10.2079 -10.1402 -10.1402 -8.6218 -8.6218 -8.5283 -8.5283 1.8115 1.8115 1.9731 1.9731 2.4103 2.4103 3.0056 3.0056 3.2292 3.2292 3.3848 3.3848 4.3562 4.3562 4.7665 4.7665 9.5689 9.5689 9.5830 9.5830 9.6223 9.6223 9.7481 9.7481 k = 0.0000 0.3919-0.0000 ( 5312 PWs) bands (ev): -28.5565 -28.5565 -28.5386 -28.5386 -11.4659 -11.4659 -11.4122 -11.4122 -10.4451 -10.4451 -10.3937 -10.3937 -10.2044 -10.2044 -10.1428 -10.1428 -8.6113 -8.6113 -8.5284 -8.5284 1.8120 1.8120 1.9455 1.9455 2.4282 2.4282 2.9742 2.9742 3.2326 3.2326 3.3707 3.3707 4.3867 4.3867 4.7575 4.7575 9.5915 9.5915 9.6177 9.6177 9.6459 9.6459 9.7693 9.7693 k = 0.0000 0.4054-0.0000 ( 5308 PWs) bands (ev): -28.5553 -28.5553 -28.5395 -28.5395 -11.4647 -11.4647 -11.4176 -11.4176 -10.4451 -10.4451 -10.3994 -10.3994 -10.2006 -10.2006 -10.1457 -10.1457 -8.6014 -8.6014 -8.5289 -8.5289 1.8110 1.8110 1.9203 1.9203 2.4511 2.4511 2.9415 2.9415 3.2364 3.2364 3.3571 3.3571 4.4170 4.4170 4.7460 4.7460 9.6062 9.6062 9.6486 9.6486 9.6726 9.6726 9.8059 9.8059 k = 0.0000 0.4189-0.0000 ( 5304 PWs) bands (ev): -28.5540 -28.5540 -28.5405 -28.5405 -11.4633 -11.4633 -11.4228 -11.4228 -10.4447 -10.4447 -10.4049 -10.4049 -10.1966 -10.1966 -10.1488 -10.1488 -8.5920 -8.5920 -8.5300 -8.5300 1.8092 1.8092 1.8977 1.8977 2.4781 2.4781 2.9075 2.9075 3.2409 3.2409 3.3441 3.3441 4.4467 4.4467 4.7323 4.7323 9.6201 9.6201 9.6680 9.6680 9.7013 9.7013 9.8578 9.8578 k = 0.0000 0.4324-0.0000 ( 5308 PWs) bands (ev): -28.5528 -28.5528 -28.5415 -28.5415 -11.4616 -11.4616 -11.4278 -11.4278 -10.4437 -10.4437 -10.4103 -10.4103 -10.1925 -10.1925 -10.1521 -10.1521 -8.5833 -8.5833 -8.5317 -8.5317 1.8074 1.8074 1.8777 1.8777 2.5083 2.5083 2.8723 2.8723 3.2458 3.2458 3.3317 3.3317 4.4760 4.4760 4.7165 4.7165 9.6333 9.6333 9.6787 9.6787 9.7333 9.7333 9.9198 9.9198 k = 0.0000 0.4459-0.0000 ( 5306 PWs) bands (ev): -28.5516 -28.5516 -28.5425 -28.5425 -11.4596 -11.4596 -11.4325 -11.4325 -10.4423 -10.4423 -10.4153 -10.4153 -10.1883 -10.1883 -10.1556 -10.1556 -8.5752 -8.5752 -8.5340 -8.5340 1.8061 1.8061 1.8602 1.8602 2.5410 2.5410 2.8362 2.8362 3.2514 3.2514 3.3200 3.3200 4.5047 4.5047 4.6987 4.6987 9.6455 9.6455 9.6840 9.6840 9.7690 9.7690 9.9871 9.9871 k = 0.0000 0.4595-0.0000 ( 5298 PWs) bands (ev): -28.5503 -28.5503 -28.5435 -28.5435 -11.4572 -11.4572 -11.4369 -11.4369 -10.4404 -10.4404 -10.4200 -10.4200 -10.1840 -10.1840 -10.1593 -10.1593 -8.5678 -8.5678 -8.5369 -8.5369 1.8060 1.8060 1.8453 1.8453 2.5757 2.5757 2.7994 2.7994 3.2576 3.2576 3.3090 3.3090 4.5326 4.5326 4.6791 4.6791 9.6563 9.6563 9.6861 9.6861 9.8079 9.8079 10.0564 10.0564 k = 0.0000 0.4730-0.0000 ( 5302 PWs) bands (ev): -28.5492 -28.5492 -28.5446 -28.5446 -11.4546 -11.4546 -11.4410 -11.4410 -10.4380 -10.4380 -10.4244 -10.4244 -10.1797 -10.1797 -10.1631 -10.1631 -8.5610 -8.5610 -8.5404 -8.5404 1.8073 1.8073 1.8330 1.8330 2.6117 2.6117 2.7619 2.7619 3.2645 3.2645 3.2986 3.2986 4.5598 4.5598 4.6579 4.6579 9.6657 9.6657 9.6858 9.6858 9.8501 9.8501 10.0464 10.0464 k = 0.0000 0.4865-0.0000 ( 5314 PWs) bands (ev): -28.5480 -28.5480 -28.5457 -28.5457 -11.4517 -11.4517 -11.4449 -11.4449 -10.4353 -10.4353 -10.4284 -10.4284 -10.1755 -10.1755 -10.1671 -10.1671 -8.5549 -8.5549 -8.5446 -8.5446 1.8104 1.8104 1.8231 1.8231 2.6487 2.6487 2.7242 2.7242 3.2720 3.2720 3.2890 3.2890 4.5860 4.5860 4.6352 4.6352 9.6734 9.6734 9.6835 9.6835 9.8951 9.8951 9.9936 9.9936 k = 0.0000 0.5000-0.0000 ( 5318 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4485 -11.4485 -11.4485 -11.4485 -10.4320 -10.4320 -10.4320 -10.4320 -10.1713 -10.1713 -10.1713 -10.1713 -8.5494 -8.5494 -8.5494 -8.5494 1.8156 1.8156 1.8156 1.8156 2.6863 2.6863 2.6863 2.6863 3.2802 3.2802 3.2802 3.2802 4.6112 4.6112 4.6112 4.6112 9.6793 9.6793 9.6793 9.6793 9.9430 9.9430 9.9430 9.9430 k = 0.0000 0.5000-0.0000 ( 5318 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4485 -11.4485 -11.4485 -11.4485 -10.4320 -10.4320 -10.4320 -10.4320 -10.1713 -10.1713 -10.1713 -10.1713 -8.5494 -8.5494 -8.5494 -8.5494 1.8156 1.8156 1.8156 1.8156 2.6863 2.6863 2.6863 2.6863 3.2802 3.2802 3.2802 3.2802 4.6112 4.6112 4.6112 4.6112 9.6793 9.6793 9.6793 9.6793 9.9430 9.9430 9.9430 9.9430 k = 0.0135 0.5000-0.0000 ( 5310 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4492 -11.4492 -11.4477 -11.4477 -10.4354 -10.4354 -10.4285 -10.4285 -10.1741 -10.1741 -10.1687 -10.1687 -8.5496 -8.5496 -8.5496 -8.5496 1.8166 1.8166 1.8170 1.8170 2.6834 2.6834 2.6898 2.6898 3.2757 3.2757 3.2824 3.2824 4.6088 4.6088 4.6104 4.6104 9.6772 9.6772 9.6798 9.6798 9.9424 9.9424 9.9492 9.9492 k = 0.0270 0.5000-0.0000 ( 5306 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4499 -11.4499 -11.4469 -11.4469 -10.4386 -10.4386 -10.4247 -10.4247 -10.1772 -10.1772 -10.1665 -10.1665 -8.5503 -8.5503 -8.5503 -8.5503 1.8198 1.8198 1.8205 1.8205 2.6809 2.6809 2.6937 2.6937 3.2690 3.2690 3.2824 3.2824 4.6031 4.6031 4.6063 4.6063 9.6738 9.6738 9.6787 9.6787 9.9475 9.9475 9.9606 9.9606 k = 0.0405 0.5000-0.0000 ( 5308 PWs) bands (ev): -28.5467 -28.5467 -28.5467 -28.5467 -11.4505 -11.4505 -11.4460 -11.4460 -10.4416 -10.4416 -10.4208 -10.4208 -10.1806 -10.1806 -10.1645 -10.1645 -8.5514 -8.5514 -8.5513 -8.5513 1.8251 1.8251 1.8263 1.8263 2.6789 2.6789 2.6981 2.6981 3.2601 3.2601 3.2803 3.2803 4.5943 4.5943 4.5990 4.5990 9.6693 9.6693 9.6761 9.6761 9.9582 9.9582 9.9769 9.9769 k = 0.0541 0.5000-0.0000 ( 5308 PWs) bands (ev): -28.5467 -28.5467 -28.5467 -28.5467 -11.4511 -11.4511 -11.4451 -11.4451 -10.4444 -10.4444 -10.4166 -10.4166 -10.1843 -10.1843 -10.1628 -10.1628 -8.5529 -8.5529 -8.5528 -8.5528 1.8326 1.8326 1.8342 1.8342 2.6775 2.6775 2.7030 2.7030 3.2492 3.2492 3.2761 3.2761 4.5824 4.5824 4.5885 4.5885 9.6641 9.6641 9.6723 9.6723 9.9743 9.9743 9.9975 9.9975 k = 0.0676 0.5000-0.0000 ( 5302 PWs) bands (ev): -28.5466 -28.5466 -28.5466 -28.5466 -11.4516 -11.4516 -11.4442 -11.4442 -10.4470 -10.4470 -10.4123 -10.4123 -10.1883 -10.1883 -10.1614 -10.1614 -8.5549 -8.5549 -8.5547 -8.5547 1.8421 1.8421 1.8442 1.8442 2.6765 2.6765 2.7084 2.7084 3.2363 3.2363 3.2700 3.2700 4.5675 4.5675 4.5750 4.5750 9.6583 9.6583 9.6674 9.6674 9.9955 9.9955 10.0224 10.0224 k = 0.0811 0.5000-0.0000 ( 5316 PWs) bands (ev): -28.5464 -28.5464 -28.5464 -28.5464 -11.4521 -11.4521 -11.4433 -11.4433 -10.4494 -10.4494 -10.4078 -10.4078 -10.1926 -10.1926 -10.1603 -10.1603 -8.5572 -8.5572 -8.5571 -8.5571 1.8535 1.8535 1.8562 1.8562 2.6762 2.6762 2.7143 2.7143 3.2215 3.2215 3.2621 3.2621 4.5499 4.5499 4.5586 4.5586 9.6521 9.6521 9.6617 9.6617 10.0216 10.0216 10.0514 10.0514 k = 0.0946 0.5000-0.0000 ( 5320 PWs) bands (ev): -28.5463 -28.5463 -28.5463 -28.5463 -11.4525 -11.4525 -11.4424 -11.4424 -10.4515 -10.4515 -10.4032 -10.4032 -10.1971 -10.1971 -10.1593 -10.1593 -8.5600 -8.5600 -8.5598 -8.5598 1.8666 1.8666 1.8699 1.8699 2.6764 2.6764 2.7207 2.7207 3.2052 3.2052 3.2526 3.2526 4.5296 4.5296 4.5395 4.5395 9.6454 9.6454 9.6552 9.6552 10.0523 10.0523 10.0844 10.0844 k = 0.1081 0.5000-0.0000 ( 5334 PWs) bands (ev): -28.5461 -28.5461 -28.5461 -28.5461 -11.4529 -11.4529 -11.4416 -11.4416 -10.4535 -10.4535 -10.3984 -10.3984 -10.2019 -10.2019 -10.1586 -10.1586 -8.5631 -8.5631 -8.5629 -8.5629 1.8812 1.8812 1.8854 1.8854 2.6774 2.6774 2.7277 2.7277 3.1875 3.1875 3.2418 3.2418 4.5070 4.5070 4.5178 4.5178 9.6380 9.6380 9.6478 9.6478 10.0876 10.0876 10.1215 10.1215 k = 0.1216 0.5000-0.0000 ( 5334 PWs) bands (ev): -28.5460 -28.5460 -28.5460 -28.5460 -11.4533 -11.4533 -11.4407 -11.4407 -10.4552 -10.4552 -10.3934 -10.3934 -10.2069 -10.2069 -10.1581 -10.1581 -8.5666 -8.5666 -8.5663 -8.5663 1.8972 1.8972 1.9023 1.9023 2.6790 2.6790 2.7352 2.7352 3.1687 3.1687 3.2298 3.2298 4.4822 4.4822 4.4939 4.4939 9.6297 9.6297 9.6393 9.6393 10.1273 10.1273 10.1626 10.1626 k = 0.1351 0.5000-0.0000 ( 5334 PWs) bands (ev): -28.5458 -28.5458 -28.5458 -28.5458 -11.4535 -11.4535 -11.4399 -11.4399 -10.4567 -10.4567 -10.3883 -10.3883 -10.2120 -10.2120 -10.1578 -10.1578 -8.5704 -8.5704 -8.5701 -8.5701 1.9142 1.9142 1.9206 1.9206 2.6814 2.6814 2.7432 2.7432 3.1490 3.1490 3.2169 3.2169 4.4554 4.4554 4.4678 4.4678 9.6202 9.6202 9.6295 9.6295 10.1715 10.1715 10.2079 10.2079 k = 0.1486 0.5000-0.0000 ( 5346 PWs) bands (ev): -28.5456 -28.5456 -28.5456 -28.5456 -11.4538 -11.4538 -11.4391 -11.4391 -10.4580 -10.4580 -10.3831 -10.3831 -10.2174 -10.2174 -10.1577 -10.1577 -8.5745 -8.5745 -8.5742 -8.5742 1.9321 1.9321 1.9398 1.9398 2.6847 2.6847 2.7518 2.7518 3.1288 3.1288 3.2033 3.2033 4.4269 4.4269 4.4399 4.4399 9.6091 9.6091 9.6179 9.6179 10.2200 10.2200 10.2573 10.2573 k = 0.1622 0.5000-0.0000 ( 5344 PWs) bands (ev): -28.5454 -28.5454 -28.5454 -28.5454 -11.4540 -11.4540 -11.4384 -11.4384 -10.4591 -10.4591 -10.3778 -10.3778 -10.2228 -10.2228 -10.1578 -10.1578 -8.5789 -8.5789 -8.5785 -8.5785 1.9506 1.9506 1.9599 1.9599 2.6889 2.6889 2.7608 2.7608 3.1084 3.1084 3.1893 3.1893 4.3969 4.3969 4.4105 4.4105 9.5962 9.5962 9.6045 9.6045 10.2727 10.2727 10.3108 10.3108 k = 0.1757 0.5000-0.0000 ( 5352 PWs) bands (ev): -28.5451 -28.5451 -28.5451 -28.5451 -11.4541 -11.4541 -11.4377 -11.4377 -10.4599 -10.4599 -10.3725 -10.3725 -10.2284 -10.2284 -10.1580 -10.1580 -8.5836 -8.5836 -8.5832 -8.5832 1.9693 1.9693 1.9804 1.9804 2.6942 2.6942 2.7701 2.7701 3.0882 3.0882 3.1752 3.1752 4.3658 4.3658 4.3797 4.3797 9.5812 9.5812 9.5888 9.5888 10.3294 10.3294 10.3683 10.3683 k = 0.1892 0.5000-0.0000 ( 5346 PWs) bands (ev): -28.5449 -28.5449 -28.5449 -28.5449 -11.4542 -11.4542 -11.4372 -11.4372 -10.4604 -10.4604 -10.3671 -10.3671 -10.2340 -10.2340 -10.1583 -10.1583 -8.5885 -8.5885 -8.5881 -8.5881 1.9879 1.9879 2.0012 2.0012 2.7004 2.7004 2.7797 2.7797 3.0687 3.0687 3.1611 3.1611 4.3338 4.3338 4.3479 4.3479 9.5639 9.5639 9.5707 9.5707 10.3902 10.3902 10.4297 10.4297 k = 0.2027 0.5000-0.0000 ( 5338 PWs) bands (ev): -28.5446 -28.5446 -28.5446 -28.5446 -11.4543 -11.4543 -11.4367 -11.4367 -10.4607 -10.4607 -10.3618 -10.3618 -10.2396 -10.2396 -10.1588 -10.1588 -8.5937 -8.5937 -8.5931 -8.5931 2.0062 2.0062 2.0220 2.0220 2.7078 2.7078 2.7893 2.7893 3.0504 3.0504 3.1474 3.1474 4.3011 4.3011 4.3154 4.3154 9.5440 9.5440 9.5500 9.5500 10.4547 10.4547 10.4949 10.4949 k = 0.2162 0.5000-0.0000 ( 5338 PWs) bands (ev): -28.5444 -28.5444 -28.5444 -28.5444 -11.4544 -11.4544 -11.4363 -11.4363 -10.4607 -10.4607 -10.3565 -10.3565 -10.2450 -10.2450 -10.1594 -10.1594 -8.5989 -8.5989 -8.5984 -8.5984 2.0239 2.0239 2.0423 2.0423 2.7163 2.7163 2.7985 2.7985 3.0338 3.0338 3.1341 3.1341 4.2681 4.2681 4.2825 4.2825 9.5215 9.5215 9.5266 9.5266 10.5229 10.5229 10.5637 10.5637 k = 0.2297 0.5000-0.0000 ( 5326 PWs) bands (ev): -28.5441 -28.5441 -28.5441 -28.5441 -11.4544 -11.4544 -11.4360 -11.4360 -10.4605 -10.4605 -10.3514 -10.3514 -10.2503 -10.2503 -10.1602 -10.1602 -8.6044 -8.6044 -8.6038 -8.6038 2.0407 2.0407 2.0620 2.0620 2.7259 2.7259 2.8069 2.8069 3.0197 3.0197 3.1217 3.1217 4.2350 4.2350 4.2494 4.2494 9.4964 9.4964 9.5006 9.5006 10.5945 10.5945 10.6359 10.6359 k = 0.2432 0.5000-0.0000 ( 5326 PWs) bands (ev): -28.5438 -28.5438 -28.5438 -28.5438 -11.4544 -11.4544 -11.4358 -11.4358 -10.4600 -10.4600 -10.3466 -10.3466 -10.2553 -10.2553 -10.1610 -10.1610 -8.6099 -8.6099 -8.6092 -8.6092 2.0563 2.0563 2.0808 2.0808 2.7366 2.7366 2.8140 2.8140 3.0088 3.0088 3.1102 3.1102 4.2020 4.2020 4.2164 4.2164 9.4687 9.4687 9.4720 9.4720 10.6694 10.6694 10.7114 10.7114 k = 0.2568 0.5000-0.0000 ( 5330 PWs) bands (ev): -28.5436 -28.5436 -28.5436 -28.5436 -11.4544 -11.4544 -11.4357 -11.4357 -10.4592 -10.4592 -10.3423 -10.3423 -10.2597 -10.2597 -10.1620 -10.1620 -8.6155 -8.6155 -8.6148 -8.6148 2.0706 2.0706 2.0983 2.0983 2.7481 2.7481 2.8191 2.8191 3.0019 3.0019 3.0999 3.0999 4.1694 4.1694 4.1838 4.1838 9.4386 9.4386 9.4410 9.4410 10.7473 10.7473 10.7899 10.7899 k = 0.2703 0.5000-0.0000 ( 5326 PWs) bands (ev): -28.5433 -28.5433 -28.5433 -28.5433 -11.4543 -11.4543 -11.4357 -11.4357 -10.4581 -10.4581 -10.3387 -10.3387 -10.2635 -10.2635 -10.1631 -10.1631 -8.6211 -8.6211 -8.6203 -8.6203 2.0834 2.0834 2.1143 2.1143 2.7603 2.7603 2.8219 2.8219 2.9994 2.9994 3.0909 3.0909 4.1376 4.1376 4.1518 4.1518 9.4064 9.4064 9.4079 9.4079 10.8279 10.8279 10.8712 10.8712 k = 0.2838 0.5000-0.0000 ( 5326 PWs) bands (ev): -28.5430 -28.5430 -28.5430 -28.5430 -11.4542 -11.4542 -11.4358 -11.4358 -10.4568 -10.4568 -10.3361 -10.3361 -10.2663 -10.2663 -10.1643 -10.1643 -8.6266 -8.6266 -8.6259 -8.6259 2.0948 2.0948 2.1287 2.1287 2.7729 2.7729 2.8223 2.8223 3.0013 3.0013 3.0833 3.0833 4.1067 4.1067 4.1208 4.1208 9.3723 9.3723 9.3731 9.3731 10.9111 10.9111 10.9550 10.9550 k = 0.2973 0.5000-0.0000 ( 5324 PWs) bands (ev): -28.5428 -28.5428 -28.5428 -28.5428 -11.4541 -11.4541 -11.4361 -11.4361 -10.4552 -10.4552 -10.3346 -10.3346 -10.2678 -10.2678 -10.1656 -10.1656 -8.6321 -8.6321 -8.6313 -8.6313 2.1046 2.1046 2.1412 2.1412 2.7857 2.7857 2.8209 2.8209 3.0072 3.0072 3.0774 3.0774 4.0770 4.0770 4.0910 4.0910 9.3368 9.3368 9.3369 9.3369 10.9966 10.9966 11.0410 11.0410 k = 0.3108 0.5000-0.0000 ( 5334 PWs) bands (ev): -28.5425 -28.5425 -28.5425 -28.5425 -11.4539 -11.4539 -11.4364 -11.4364 -10.4532 -10.4532 -10.3346 -10.3346 -10.2679 -10.2679 -10.1671 -10.1671 -8.6375 -8.6375 -8.6367 -8.6367 2.1130 2.1130 2.1518 2.1518 2.7982 2.7982 2.8184 2.8184 3.0161 3.0161 3.0731 3.0731 4.0487 4.0487 4.0625 4.0625 9.2998 9.2998 9.3003 9.3003 11.0838 11.0838 11.1288 11.1288 k = 0.3243 0.5000-0.0000 ( 5330 PWs) bands (ev): -28.5423 -28.5423 -28.5423 -28.5423 -11.4538 -11.4538 -11.4369 -11.4369 -10.4510 -10.4510 -10.3360 -10.3360 -10.2666 -10.2666 -10.1687 -10.1687 -8.6427 -8.6427 -8.6420 -8.6420 2.1201 2.1201 2.1605 2.1605 2.8100 2.8100 2.8155 2.8155 3.0270 3.0270 3.0706 3.0706 4.0222 4.0222 4.0358 4.0358 9.2623 9.2623 9.2633 9.2633 11.1726 11.1726 11.2179 11.2179 k = 0.3378 0.5000-0.0000 ( 5326 PWs) bands (ev): -28.5420 -28.5420 -28.5420 -28.5420 -11.4535 -11.4535 -11.4374 -11.4374 -10.4485 -10.4485 -10.3386 -10.3386 -10.2641 -10.2641 -10.1704 -10.1704 -8.6478 -8.6478 -8.6470 -8.6470 2.1259 2.1259 2.1673 2.1673 2.8129 2.8129 2.8210 2.8210 3.0391 3.0391 3.0697 3.0697 3.9974 3.9974 4.0108 4.0108 9.2249 9.2249 9.2263 9.2263 11.2622 11.2622 11.3079 11.3079 k = 0.3514 0.5000-0.0000 ( 5328 PWs) bands (ev): -28.5418 -28.5418 -28.5418 -28.5418 -11.4533 -11.4533 -11.4380 -11.4380 -10.4458 -10.4458 -10.3422 -10.3422 -10.2606 -10.2606 -10.1724 -10.1724 -8.6526 -8.6526 -8.6518 -8.6518 2.1307 2.1307 2.1722 2.1722 2.8111 2.8111 2.8306 2.8306 3.0516 3.0516 3.0705 3.0705 3.9748 3.9748 3.9878 3.9878 9.1881 9.1881 9.1899 9.1899 11.3521 11.3521 11.3978 11.3978 k = 0.3649 0.5000-0.0000 ( 5320 PWs) bands (ev): -28.5416 -28.5416 -28.5416 -28.5416 -11.4530 -11.4530 -11.4387 -11.4387 -10.4428 -10.4428 -10.3465 -10.3465 -10.2564 -10.2564 -10.1745 -10.1745 -8.6571 -8.6571 -8.6564 -8.6564 2.1346 2.1346 2.1754 2.1754 2.8103 2.8103 2.8389 2.8389 3.0638 3.0638 3.0726 3.0726 3.9543 3.9543 3.9670 3.9670 9.1525 9.1525 9.1545 9.1545 11.4413 11.4413 11.4868 11.4868 k = 0.3784 0.5000-0.0000 ( 5316 PWs) bands (ev): -28.5414 -28.5414 -28.5414 -28.5414 -11.4526 -11.4526 -11.4395 -11.4395 -10.4395 -10.4395 -10.3513 -10.3513 -10.2517 -10.2517 -10.1768 -10.1768 -8.6614 -8.6614 -8.6607 -8.6607 2.1379 2.1379 2.1772 2.1772 2.8106 2.8106 2.8456 2.8456 3.0753 3.0753 3.0759 3.0759 3.9362 3.9362 3.9483 3.9483 9.1185 9.1185 9.1206 9.1206 11.5290 11.5290 11.5737 11.5737 k = 0.3919 0.5000-0.0000 ( 5324 PWs) bands (ev): -28.5412 -28.5412 -28.5412 -28.5412 -11.4522 -11.4522 -11.4403 -11.4403 -10.4359 -10.4359 -10.3564 -10.3564 -10.2467 -10.2467 -10.1792 -10.1792 -8.6653 -8.6653 -8.6646 -8.6646 2.1406 2.1406 2.1776 2.1776 2.8120 2.8120 2.8507 2.8507 3.0800 3.0800 3.0856 3.0856 3.9204 3.9204 3.9318 3.9318 9.0867 9.0867 9.0888 9.0888 11.6136 11.6136 11.6569 11.6569 k = 0.4054 0.5000-0.0000 ( 5332 PWs) bands (ev): -28.5411 -28.5411 -28.5411 -28.5411 -11.4518 -11.4518 -11.4411 -11.4411 -10.4322 -10.4322 -10.3618 -10.3618 -10.2416 -10.2416 -10.1819 -10.1819 -8.6688 -8.6688 -8.6682 -8.6682 2.1429 2.1429 2.1769 2.1769 2.8144 2.8144 2.8543 2.8543 3.0847 3.0847 3.0945 3.0945 3.9069 3.9069 3.9176 3.9176 9.0575 9.0575 9.0595 9.0595 11.6936 11.6936 11.7346 11.7346 k = 0.4189 0.5000-0.0000 ( 5336 PWs) bands (ev): -28.5409 -28.5409 -28.5409 -28.5409 -11.4513 -11.4513 -11.4420 -11.4420 -10.4281 -10.4281 -10.3673 -10.3673 -10.2364 -10.2364 -10.1848 -10.1848 -8.6719 -8.6719 -8.6714 -8.6714 2.1451 2.1451 2.1754 2.1754 2.8177 2.8177 2.8564 2.8564 3.0896 3.0896 3.1018 3.1018 3.8958 3.8958 3.9054 3.9054 9.0313 9.0313 9.0332 9.0332 11.7671 11.7671 11.8047 11.8047 k = 0.4324 0.5000-0.0000 ( 5340 PWs) bands (ev): -28.5408 -28.5408 -28.5408 -28.5408 -11.4508 -11.4508 -11.4429 -11.4429 -10.4239 -10.4239 -10.3728 -10.3728 -10.2312 -10.2312 -10.1880 -10.1880 -8.6745 -8.6745 -8.6741 -8.6741 2.1471 2.1471 2.1733 2.1733 2.8217 2.8217 2.8572 2.8572 3.0946 3.0946 3.1075 3.1075 3.8870 3.8870 3.8953 3.8953 9.0085 9.0085 9.0102 9.0102 11.8321 11.8321 11.8651 11.8651 k = 0.4459 0.5000-0.0000 ( 5344 PWs) bands (ev): -28.5407 -28.5407 -28.5407 -28.5407 -11.4502 -11.4502 -11.4438 -11.4438 -10.4195 -10.4195 -10.3784 -10.3784 -10.2261 -10.2261 -10.1913 -10.1913 -8.6767 -8.6767 -8.6764 -8.6764 2.1492 2.1492 2.1707 2.1707 2.8262 2.8262 2.8568 2.8568 3.0993 3.0993 3.1115 3.1115 3.8802 3.8802 3.8871 3.8871 8.9894 8.9894 8.9908 8.9908 11.8870 11.8870 11.9144 11.9144 k = 0.4595 0.5000-0.0000 ( 5348 PWs) bands (ev): -28.5406 -28.5406 -28.5406 -28.5406 -11.4495 -11.4495 -11.4447 -11.4447 -10.4149 -10.4149 -10.3839 -10.3839 -10.2211 -10.2211 -10.1949 -10.1949 -8.6785 -8.6785 -8.6782 -8.6782 2.1514 2.1514 2.1678 2.1678 2.8311 2.8311 2.8553 2.8553 3.1037 3.1037 3.1139 3.1139 3.8754 3.8754 3.8807 3.8807 8.9743 8.9743 8.9754 8.9754 11.9307 11.9307 11.9516 11.9516 k = 0.4730 0.5000-0.0000 ( 5348 PWs) bands (ev): -28.5406 -28.5406 -28.5406 -28.5406 -11.4488 -11.4488 -11.4456 -11.4456 -10.4100 -10.4100 -10.3893 -10.3893 -10.2162 -10.2162 -10.1987 -10.1987 -8.6797 -8.6797 -8.6795 -8.6795 2.1538 2.1538 2.1648 2.1648 2.8360 2.8360 2.8528 2.8528 3.1075 3.1075 3.1149 3.1149 3.8723 3.8723 3.8760 3.8760 8.9634 8.9634 8.9642 8.9642 11.9627 11.9627 11.9767 11.9767 k = 0.4865 0.5000-0.0000 ( 5352 PWs) bands (ev): -28.5406 -28.5406 -28.5406 -28.5406 -11.4481 -11.4481 -11.4465 -11.4465 -10.4051 -10.4051 -10.3947 -10.3947 -10.2115 -10.2115 -10.2028 -10.2028 -8.6804 -8.6804 -8.6803 -8.6803 2.1563 2.1563 2.1619 2.1619 2.8408 2.8408 2.8494 2.8494 3.1107 3.1107 3.1145 3.1145 3.8709 3.8709 3.8728 3.8728 8.9569 8.9569 8.9573 8.9573 11.9831 11.9831 11.9901 11.9901 k = 0.5000 0.5000-0.0000 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.3999 -10.3999 -10.3999 -10.3999 -10.2071 -10.2071 -10.2071 -10.2071 -8.6806 -8.6806 -8.6806 -8.6806 2.1590 2.1590 2.1590 2.1590 2.8454 2.8454 2.8454 2.8454 3.1131 3.1131 3.1131 3.1131 3.8711 3.8711 3.8711 3.8711 8.9548 8.9548 8.9548 8.9548 11.9922 11.9922 11.9922 11.9922 k = 0.5000 0.5000-0.0000 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.3999 -10.3999 -10.3999 -10.3999 -10.2071 -10.2071 -10.2071 -10.2071 -8.6806 -8.6806 -8.6806 -8.6806 2.1590 2.1590 2.1590 2.1590 2.8454 2.8454 2.8454 2.8454 3.1131 3.1131 3.1131 3.1131 3.8711 3.8711 3.8711 3.8711 8.9548 8.9548 8.9548 8.9548 11.9922 11.9922 11.9922 11.9922 k = 0.4906 0.4906-0.0000 ( 5346 PWs) bands (ev): -28.5406 -28.5406 -28.5405 -28.5405 -11.4481 -11.4481 -11.4465 -11.4465 -10.4050 -10.4050 -10.3948 -10.3948 -10.2115 -10.2115 -10.2028 -10.2028 -8.6805 -8.6805 -8.6802 -8.6802 2.1563 2.1563 2.1619 2.1619 2.8408 2.8408 2.8494 2.8494 3.1105 3.1105 3.1148 3.1148 3.8707 3.8707 3.8730 3.8730 8.9559 8.9559 8.9581 8.9581 11.9829 11.9829 11.9906 11.9906 k = 0.4811 0.4811-0.0000 ( 5352 PWs) bands (ev): -28.5407 -28.5407 -28.5405 -28.5405 -11.4488 -11.4488 -11.4456 -11.4456 -10.4099 -10.4099 -10.3895 -10.3895 -10.2161 -10.2161 -10.1988 -10.1988 -8.6803 -8.6803 -8.6790 -8.6790 2.1536 2.1536 2.1650 2.1650 2.8356 2.8356 2.8532 2.8532 3.1056 3.1056 3.1169 3.1169 3.8709 3.8709 3.8772 3.8772 8.9592 8.9592 8.9679 8.9679 11.9611 11.9611 11.9802 11.9802 k = 0.4717 0.4717-0.0000 ( 5342 PWs) bands (ev): -28.5408 -28.5408 -28.5404 -28.5404 -11.4495 -11.4495 -11.4447 -11.4447 -10.4146 -10.4146 -10.3841 -10.3841 -10.2210 -10.2210 -10.1950 -10.1950 -8.6799 -8.6799 -8.6769 -8.6769 2.1510 2.1510 2.1685 2.1685 2.8294 2.8294 2.8569 2.8569 3.0981 3.0981 3.1199 3.1199 3.8713 3.8713 3.8843 3.8843 8.9645 8.9645 8.9841 8.9841 11.9265 11.9265 11.9620 11.9620 k = 0.4623 0.4623-0.0000 ( 5338 PWs) bands (ev): -28.5411 -28.5411 -28.5403 -28.5403 -11.4502 -11.4502 -11.4437 -11.4437 -10.4191 -10.4191 -10.3787 -10.3787 -10.2260 -10.2260 -10.1913 -10.1913 -8.6794 -8.6794 -8.6741 -8.6741 2.1482 2.1482 2.1725 2.1725 2.8221 2.8221 2.8606 2.8606 3.0877 3.0877 3.1239 3.1239 3.8719 3.8719 3.8942 3.8942 8.9716 8.9716 9.0064 9.0064 11.8798 11.8798 11.9367 11.9367 k = 0.4528 0.4528-0.0000 ( 5338 PWs) bands (ev): -28.5414 -28.5414 -28.5402 -28.5402 -11.4509 -11.4509 -11.4427 -11.4427 -10.4234 -10.4234 -10.3733 -10.3733 -10.2313 -10.2313 -10.1878 -10.1878 -8.6787 -8.6787 -8.6705 -8.6705 2.1454 2.1454 2.1771 2.1771 2.8135 2.8135 2.8645 2.8645 3.0746 3.0746 3.1290 3.1290 3.8726 3.8726 3.9071 3.9071 8.9804 8.9804 9.0346 9.0346 11.8221 11.8221 11.9050 11.9050 k = 0.4434 0.4434-0.0000 ( 5330 PWs) bands (ev): -28.5418 -28.5418 -28.5401 -28.5401 -11.4515 -11.4515 -11.4416 -11.4416 -10.4273 -10.4273 -10.3679 -10.3679 -10.2368 -10.2368 -10.1844 -10.1844 -8.6779 -8.6779 -8.6662 -8.6662 2.1426 2.1426 2.1822 2.1822 2.8035 2.8035 2.8685 2.8685 3.0590 3.0590 3.1353 3.1353 3.8735 3.8735 3.9230 3.9230 8.9906 8.9906 9.0683 9.0683 11.7547 11.7547 11.8676 11.8676 k = 0.4340 0.4340-0.0000 ( 5330 PWs) bands (ev): -28.5422 -28.5422 -28.5399 -28.5399 -11.4521 -11.4521 -11.4405 -11.4405 -10.4310 -10.4310 -10.3625 -10.3625 -10.2424 -10.2424 -10.1812 -10.1812 -8.6770 -8.6770 -8.6613 -8.6613 2.1399 2.1399 2.1879 2.1879 2.7919 2.7919 2.8725 2.8725 3.0413 3.0413 3.1426 3.1426 3.8746 3.8746 3.9420 3.9420 9.0018 9.0018 9.1068 9.1068 11.6788 11.6788 11.8258 11.8258 k = 0.4245 0.4245-0.0000 ( 5330 PWs) bands (ev): -28.5427 -28.5427 -28.5397 -28.5397 -11.4527 -11.4527 -11.4393 -11.4393 -10.4344 -10.4344 -10.3572 -10.3572 -10.2482 -10.2482 -10.1780 -10.1780 -8.6761 -8.6761 -8.6559 -8.6559 2.1373 2.1373 2.1943 2.1943 2.7788 2.7788 2.8762 2.8762 3.0222 3.0222 3.1510 3.1510 3.8759 3.8759 3.9640 3.9640 9.0137 9.0137 9.1498 9.1498 11.5959 11.5959 11.7808 11.7808 k = 0.4151 0.4151-0.0000 ( 5334 PWs) bands (ev): -28.5433 -28.5433 -28.5395 -28.5395 -11.4533 -11.4533 -11.4379 -11.4379 -10.4374 -10.4374 -10.3519 -10.3519 -10.2541 -10.2541 -10.1750 -10.1750 -8.6751 -8.6751 -8.6500 -8.6500 2.1351 2.1351 2.2012 2.2012 2.7639 2.7639 2.8789 2.8789 3.0029 3.0029 3.1605 3.1605 3.8772 3.8772 3.9890 3.9890 9.0261 9.0261 9.1965 9.1965 11.5069 11.5069 11.7339 11.7339 k = 0.4057 0.4057-0.0000 ( 5326 PWs) bands (ev): -28.5439 -28.5439 -28.5393 -28.5393 -11.4539 -11.4539 -11.4364 -11.4364 -10.4400 -10.4400 -10.3467 -10.3467 -10.2601 -10.2601 -10.1720 -10.1720 -8.6742 -8.6742 -8.6437 -8.6437 2.1333 2.1333 2.2086 2.2086 2.7472 2.7472 2.8791 2.8791 2.9853 2.9853 3.1711 3.1711 3.8788 3.8788 4.0167 4.0167 9.0386 9.0386 9.2460 9.2460 11.4129 11.4129 11.6863 11.6863 k = 0.3962 0.3962-0.0000 ( 5327 PWs) bands (ev): -28.5446 -28.5446 -28.5391 -28.5391 -11.4544 -11.4544 -11.4349 -11.4349 -10.4423 -10.4423 -10.3416 -10.3416 -10.2662 -10.2662 -10.1691 -10.1691 -8.6733 -8.6733 -8.6371 -8.6371 2.1320 2.1320 2.2164 2.2164 2.7286 2.7286 2.8745 2.8745 2.9723 2.9723 3.1827 3.1827 3.8804 3.8804 4.0470 4.0470 9.0510 9.0510 9.2976 9.2976 11.3149 11.3149 11.6390 11.6390 k = 0.3868 0.3868-0.0000 ( 5337 PWs) bands (ev): -28.5453 -28.5453 -28.5388 -28.5388 -11.4550 -11.4550 -11.4331 -11.4331 -10.4442 -10.4442 -10.3366 -10.3366 -10.2723 -10.2723 -10.1663 -10.1663 -8.6725 -8.6725 -8.6303 -8.6303 2.1314 2.1314 2.2245 2.2245 2.7079 2.7079 2.8636 2.8636 2.9663 2.9663 3.1952 3.1952 3.8822 3.8822 4.0795 4.0795 9.0631 9.0631 9.3503 9.3503 11.2138 11.2138 11.5929 11.5929 k = 0.3774 0.3774-0.0000 ( 5337 PWs) bands (ev): -28.5461 -28.5461 -28.5385 -28.5385 -11.4556 -11.4556 -11.4312 -11.4312 -10.4456 -10.4456 -10.3317 -10.3317 -10.2784 -10.2784 -10.1636 -10.1636 -8.6718 -8.6718 -8.6234 -8.6234 2.1315 2.1315 2.2328 2.2328 2.6852 2.6852 2.8470 2.8470 2.9671 2.9671 3.2088 3.2088 3.8840 3.8840 4.1141 4.1141 9.0747 9.0747 9.4030 9.4030 11.1104 11.1104 11.5487 11.5487 k = 0.3679 0.3679-0.0000 ( 5333 PWs) bands (ev): -28.5470 -28.5470 -28.5382 -28.5382 -11.4561 -11.4561 -11.4291 -11.4291 -10.4466 -10.4466 -10.3268 -10.3268 -10.2845 -10.2845 -10.1609 -10.1609 -8.6713 -8.6713 -8.6164 -8.6164 2.1324 2.1324 2.2409 2.2409 2.6604 2.6604 2.8276 2.8276 2.9729 2.9729 3.2232 3.2232 3.8860 3.8860 4.1504 4.1504 9.0859 9.0859 9.4546 9.4546 11.0056 11.0056 11.5067 11.5067 k = 0.3585 0.3585-0.0000 ( 5329 PWs) bands (ev): -28.5478 -28.5478 -28.5379 -28.5379 -11.4567 -11.4567 -11.4268 -11.4268 -10.4472 -10.4472 -10.3221 -10.3221 -10.2906 -10.2906 -10.1582 -10.1582 -8.6711 -8.6711 -8.6094 -8.6094 2.1342 2.1342 2.2487 2.2487 2.6339 2.6339 2.8075 2.8075 2.9819 2.9819 3.2386 3.2386 3.8879 3.8879 4.1881 4.1881 9.0966 9.0966 9.5040 9.5040 10.9000 10.9000 11.4391 11.4391 k = 0.3491 0.3491-0.0000 ( 5327 PWs) bands (ev): -28.5488 -28.5488 -28.5376 -28.5376 -11.4573 -11.4573 -11.4244 -11.4244 -10.4473 -10.4473 -10.3175 -10.3175 -10.2965 -10.2965 -10.1556 -10.1556 -8.6711 -8.6711 -8.6026 -8.6026 2.1368 2.1368 2.2557 2.2557 2.6063 2.6063 2.7883 2.7883 2.9931 2.9931 3.2547 3.2547 3.8899 3.8899 4.2266 4.2266 9.1071 9.1071 9.5501 9.5501 10.7944 10.7944 11.3377 11.3377 k = 0.3396 0.3396-0.0000 ( 5333 PWs) bands (ev): -28.5497 -28.5497 -28.5372 -28.5372 -11.4579 -11.4579 -11.4217 -11.4217 -10.4470 -10.4470 -10.3131 -10.3131 -10.3020 -10.3020 -10.1531 -10.1531 -8.6714 -8.6714 -8.5960 -8.5960 2.1400 2.1400 2.2614 2.2614 2.5786 2.5786 2.7708 2.7708 3.0059 3.0059 3.2716 3.2716 3.8918 3.8918 4.2658 4.2658 9.1174 9.1174 9.5919 9.5919 10.6895 10.6895 11.2371 11.2371 k = 0.3302 0.3302-0.0000 ( 5341 PWs) bands (ev): -28.5508 -28.5508 -28.5369 -28.5369 -11.4585 -11.4585 -11.4188 -11.4188 -10.4463 -10.4463 -10.3108 -10.3108 -10.3055 -10.3055 -10.1506 -10.1506 -8.6721 -8.6721 -8.5896 -8.5896 2.1434 2.1434 2.2651 2.2651 2.5523 2.5523 2.7553 2.7553 3.0199 3.0199 3.2891 3.2891 3.8937 3.8937 4.3051 4.3051 9.1278 9.1278 9.6285 9.6285 10.5860 10.5860 11.1378 11.1378 k = 0.3208 0.3208-0.0000 ( 5341 PWs) bands (ev): -28.5518 -28.5518 -28.5365 -28.5365 -11.4591 -11.4591 -11.4156 -11.4156 -10.4450 -10.4450 -10.3148 -10.3148 -10.3026 -10.3026 -10.1482 -10.1482 -8.6733 -8.6733 -8.5836 -8.5836 2.1462 2.1462 2.2665 2.2665 2.5291 2.5291 2.7420 2.7420 3.0350 3.0350 3.3073 3.3073 3.8954 3.8954 4.3442 4.3442 9.1386 9.1386 9.6592 9.6592 10.4846 10.4846 11.0402 11.0402 k = 0.3113 0.3113-0.0000 ( 5343 PWs) bands (ev): -28.5529 -28.5529 -28.5361 -28.5361 -11.4597 -11.4597 -11.4123 -11.4123 -10.4434 -10.4434 -10.3200 -10.3200 -10.2982 -10.2982 -10.1459 -10.1459 -8.6749 -8.6749 -8.5780 -8.5780 2.1469 2.1469 2.2658 2.2658 2.5110 2.5110 2.7310 2.7310 3.0510 3.0510 3.3259 3.3259 3.8970 3.8970 4.3826 4.3826 9.1502 9.1502 9.6835 9.6835 10.3860 10.3860 10.9445 10.9445 k = 0.3019 0.3019-0.0000 ( 5347 PWs) bands (ev): -28.5540 -28.5540 -28.5358 -28.5358 -11.4602 -11.4602 -11.4087 -11.4087 -10.4412 -10.4412 -10.3252 -10.3252 -10.2936 -10.2936 -10.1437 -10.1437 -8.6770 -8.6770 -8.5728 -8.5728 2.1431 2.1431 2.2646 2.2646 2.4990 2.4990 2.7224 2.7224 3.0678 3.0678 3.3448 3.3448 3.8984 3.8984 4.4200 4.4200 9.1630 9.1630 9.7010 9.7010 10.2909 10.2909 10.8510 10.8510 k = 0.2925 0.2925-0.0000 ( 5339 PWs) bands (ev): -28.5551 -28.5551 -28.5354 -28.5354 -11.4608 -11.4608 -11.4049 -11.4049 -10.4387 -10.4387 -10.3303 -10.3303 -10.2889 -10.2889 -10.1415 -10.1415 -8.6797 -8.6797 -8.5681 -8.5681 2.1320 2.1320 2.2658 2.2658 2.4933 2.4933 2.7163 2.7163 3.0853 3.0853 3.3641 3.3641 3.8994 3.8994 4.4560 4.4560 9.1773 9.1773 9.7117 9.7117 10.2004 10.2004 10.7600 10.7600 k = 0.2830 0.2830-0.0000 ( 5321 PWs) bands (ev): -28.5562 -28.5562 -28.5349 -28.5349 -11.4613 -11.4613 -11.4009 -11.4009 -10.4357 -10.4357 -10.3351 -10.3351 -10.2841 -10.2841 -10.1395 -10.1395 -8.6830 -8.6830 -8.5639 -8.5639 2.1124 2.1124 2.2718 2.2718 2.4933 2.4933 2.7126 2.7126 3.1035 3.1035 3.3834 3.3834 3.9002 3.9002 4.4902 4.4902 9.1935 9.1935 9.7151 9.7151 10.1155 10.1155 10.6719 10.6719 k = 0.2736 0.2736-0.0000 ( 5317 PWs) bands (ev): -28.5574 -28.5574 -28.5345 -28.5345 -11.4618 -11.4618 -11.3967 -11.3967 -10.4323 -10.4323 -10.3398 -10.3398 -10.2792 -10.2792 -10.1375 -10.1375 -8.6868 -8.6868 -8.5603 -8.5603 2.0853 2.0853 2.2830 2.2830 2.4977 2.4977 2.7115 2.7115 3.1222 3.1222 3.4028 3.4028 3.9004 3.9004 4.5221 4.5221 9.2119 9.2119 9.7107 9.7107 10.0379 10.0379 10.5868 10.5868 k = 0.2642 0.2642-0.0000 ( 5325 PWs) bands (ev): -28.5585 -28.5585 -28.5341 -28.5341 -11.4623 -11.4623 -11.3923 -11.3923 -10.4286 -10.4286 -10.3443 -10.3443 -10.2742 -10.2742 -10.1357 -10.1357 -8.6914 -8.6914 -8.5573 -8.5573 2.0529 2.0529 2.2987 2.2987 2.5053 2.5053 2.7130 2.7130 3.1414 3.1414 3.4220 3.4220 3.9002 3.9002 4.5515 4.5515 9.2330 9.2330 9.6974 9.6974 9.9698 9.9698 10.5050 10.5050 k = 0.2547 0.2547-0.0000 ( 5329 PWs) bands (ev): -28.5597 -28.5597 -28.5337 -28.5337 -11.4627 -11.4627 -11.3877 -11.3877 -10.4244 -10.4244 -10.3486 -10.3486 -10.2690 -10.2690 -10.1341 -10.1341 -8.6965 -8.6965 -8.5548 -8.5548 2.0171 2.0171 2.3181 2.3181 2.5153 2.5153 2.7171 2.7171 3.1610 3.1610 3.4409 3.4409 3.8994 3.8994 4.5779 4.5779 9.2569 9.2569 9.6739 9.6739 9.9135 9.9135 10.4269 10.4269 k = 0.2453 0.2453-0.0000 ( 5327 PWs) bands (ev): -28.5609 -28.5609 -28.5333 -28.5333 -11.4631 -11.4631 -11.3830 -11.3830 -10.4199 -10.4199 -10.3526 -10.3526 -10.2636 -10.2636 -10.1326 -10.1326 -8.7024 -8.7024 -8.5529 -8.5529 1.9793 1.9793 2.3405 2.3405 2.5269 2.5269 2.7240 2.7240 3.1809 3.1809 3.4593 3.4593 3.8979 3.8979 4.6012 4.6012 9.2841 9.2841 9.6401 9.6401 9.8702 9.8702 10.3526 10.3526 k = 0.2358 0.2358-0.0000 ( 5327 PWs) bands (ev): -28.5621 -28.5621 -28.5329 -28.5329 -11.4634 -11.4634 -11.3781 -11.3781 -10.4151 -10.4151 -10.3563 -10.3563 -10.2581 -10.2581 -10.1313 -10.1313 -8.7089 -8.7089 -8.5516 -8.5516 1.9405 1.9405 2.3657 2.3657 2.5398 2.5398 2.7335 2.7335 3.2012 3.2012 3.4771 3.4771 3.8957 3.8957 4.6209 4.6209 9.3146 9.3146 9.5983 9.5983 9.8385 9.8385 10.2824 10.2824 k = 0.2264 0.2264-0.0000 ( 5317 PWs) bands (ev): -28.5632 -28.5632 -28.5325 -28.5325 -11.4637 -11.4637 -11.3732 -11.3732 -10.4101 -10.4101 -10.3598 -10.3598 -10.2524 -10.2524 -10.1301 -10.1301 -8.7161 -8.7161 -8.5509 -8.5509 1.9013 1.9013 2.3933 2.3933 2.5537 2.5537 2.7456 2.7456 3.2216 3.2216 3.4941 3.4941 3.8926 3.8926 4.6368 4.6368 9.3485 9.3485 9.5529 9.5529 9.8152 9.8152 10.2164 10.2164 k = 0.2170 0.2170-0.0000 ( 5315 PWs) bands (ev): -28.5644 -28.5644 -28.5321 -28.5321 -11.4639 -11.4639 -11.3681 -11.3681 -10.4048 -10.4048 -10.3630 -10.3630 -10.2465 -10.2465 -10.1291 -10.1291 -8.7240 -8.7240 -8.5507 -8.5507 1.8623 1.8623 2.4231 2.4231 2.5686 2.5686 2.7602 2.7602 3.2421 3.2421 3.5102 3.5102 3.8886 3.8886 4.6487 4.6487 9.3858 9.3858 9.5076 9.5076 9.7972 9.7972 10.1550 10.1550 k = 0.2075 0.2075-0.0000 ( 5309 PWs) bands (ev): -28.5655 -28.5655 -28.5317 -28.5317 -11.4641 -11.4641 -11.3630 -11.3630 -10.3994 -10.3994 -10.3657 -10.3657 -10.2404 -10.2404 -10.1283 -10.1283 -8.7325 -8.7325 -8.5511 -8.5511 1.8238 1.8238 2.4549 2.4549 2.5844 2.5844 2.7773 2.7773 3.2626 3.2626 3.5252 3.5252 3.8837 3.8837 4.6565 4.6565 9.4245 9.4245 9.4672 9.4672 9.7827 9.7827 10.0983 10.0983 k = 0.1981 0.1981-0.0000 ( 5313 PWs) bands (ev): -28.5666 -28.5666 -28.5313 -28.5313 -11.4641 -11.4641 -11.3579 -11.3579 -10.3941 -10.3941 -10.3680 -10.3680 -10.2342 -10.2342 -10.1276 -10.1276 -8.7416 -8.7416 -8.5519 -8.5519 1.7862 1.7862 2.4883 2.4883 2.6012 2.6012 2.7966 2.7966 3.2830 3.2830 3.5391 3.5391 3.8777 3.8777 4.6600 4.6600 9.4211 9.4211 9.4766 9.4766 9.7706 9.7706 10.0463 10.0463 k = 0.1887 0.1887-0.0000 ( 5305 PWs) bands (ev): -28.5677 -28.5677 -28.5309 -28.5309 -11.4642 -11.4642 -11.3527 -11.3527 -10.3892 -10.3892 -10.3693 -10.3693 -10.2278 -10.2278 -10.1270 -10.1270 -8.7512 -8.7512 -8.5532 -8.5532 1.7495 1.7495 2.5231 2.5231 2.6194 2.6194 2.8180 2.8180 3.3031 3.3031 3.5516 3.5516 3.8705 3.8705 4.6591 4.6591 9.3892 9.3892 9.5233 9.5233 9.7604 9.7604 9.9994 9.9994 k = 0.1792 0.1792-0.0000 ( 5307 PWs) bands (ev): -28.5688 -28.5688 -28.5305 -28.5305 -11.4641 -11.4641 -11.3476 -11.3476 -10.3856 -10.3856 -10.3689 -10.3689 -10.2215 -10.2215 -10.1266 -10.1266 -8.7614 -8.7614 -8.5549 -8.5549 1.7141 1.7141 2.5586 2.5586 2.6393 2.6393 2.8414 2.8414 3.3229 3.3229 3.5629 3.5629 3.8622 3.8622 4.6538 4.6538 9.3617 9.3617 9.5746 9.5746 9.7518 9.7518 9.9576 9.9576 k = 0.1698 0.1698-0.0000 ( 5303 PWs) bands (ev): -28.5698 -28.5698 -28.5302 -28.5302 -11.4640 -11.4640 -11.3425 -11.3425 -10.3841 -10.3841 -10.3661 -10.3661 -10.2151 -10.2151 -10.1261 -10.1261 -8.7720 -8.7720 -8.5569 -8.5569 1.6800 1.6800 2.5940 2.5940 2.6615 2.6615 2.8668 2.8668 3.3422 3.3422 3.5728 3.5728 3.8527 3.8527 4.6441 4.6441 9.3404 9.3404 9.6290 9.6290 9.7446 9.7446 9.9209 9.9209 k = 0.1604 0.1604-0.0000 ( 5295 PWs) bands (ev): -28.5709 -28.5709 -28.5298 -28.5298 -11.4638 -11.4638 -11.3375 -11.3375 -10.3843 -10.3843 -10.3612 -10.3612 -10.2089 -10.2089 -10.1257 -10.1257 -8.7830 -8.7830 -8.5593 -8.5593 1.6473 1.6473 2.6281 2.6281 2.6871 2.6871 2.8940 2.8940 3.3608 3.3608 3.5814 3.5814 3.8420 3.8420 4.6301 4.6301 9.3255 9.3255 9.6856 9.6856 9.7392 9.7392 9.8894 9.8894 k = 0.1509 0.1509-0.0000 ( 5291 PWs) bands (ev): -28.5718 -28.5718 -28.5295 -28.5295 -11.4636 -11.4636 -11.3326 -11.3326 -10.3853 -10.3853 -10.3553 -10.3553 -10.2030 -10.2030 -10.1251 -10.1251 -8.7942 -8.7942 -8.5619 -8.5619 1.6162 1.6162 2.6595 2.6595 2.7170 2.7170 2.9231 2.9231 3.3785 3.3785 3.5887 3.5887 3.8299 3.8299 4.6117 4.6117 9.3175 9.3175 9.7300 9.7300 9.7488 9.7488 9.8630 9.8630 k = 0.1415 0.1415-0.0000 ( 5281 PWs) bands (ev): -28.5728 -28.5728 -28.5292 -28.5292 -11.4634 -11.4634 -11.3278 -11.3278 -10.3864 -10.3864 -10.3488 -10.3488 -10.1976 -10.1976 -10.1242 -10.1242 -8.8057 -8.8057 -8.5647 -8.5647 1.5868 1.5868 2.6879 2.6879 2.7510 2.7510 2.9541 2.9541 3.3952 3.3952 3.5951 3.5951 3.8167 3.8167 4.5893 4.5893 9.3162 9.3162 9.7290 9.7290 9.8000 9.8000 9.8256 9.8256 k = 0.1321 0.1321-0.0000 ( 5273 PWs) bands (ev): -28.5736 -28.5736 -28.5289 -28.5289 -11.4631 -11.4631 -11.3232 -11.3232 -10.3876 -10.3876 -10.3421 -10.3421 -10.1929 -10.1929 -10.1228 -10.1228 -8.8173 -8.8173 -8.5677 -8.5677 1.5590 1.5590 2.7143 2.7143 2.7877 2.7877 2.9871 2.9871 3.4107 3.4107 3.6006 3.6006 3.8022 3.8022 4.5628 4.5628 9.3218 9.3218 9.7257 9.7257 9.7557 9.7557 9.8224 9.8224 k = 0.1226 0.1226-0.0000 ( 5277 PWs) bands (ev): -28.5745 -28.5745 -28.5286 -28.5286 -11.4628 -11.4628 -11.3188 -11.3188 -10.3887 -10.3887 -10.3352 -10.3352 -10.1892 -10.1892 -10.1208 -10.1208 -8.8289 -8.8289 -8.5707 -8.5707 1.5330 1.5330 2.7398 2.7398 2.8254 2.8254 3.0219 3.0219 3.4247 3.4247 3.6057 3.6057 3.7865 3.7865 4.5325 4.5325 9.3340 9.3340 9.6899 9.6899 9.7283 9.7283 9.8128 9.8128 k = 0.1132 0.1132-0.0000 ( 5271 PWs) bands (ev): -28.5753 -28.5753 -28.5283 -28.5283 -11.4625 -11.4625 -11.3146 -11.3146 -10.3898 -10.3898 -10.3282 -10.3282 -10.1865 -10.1865 -10.1182 -10.1182 -8.8403 -8.8403 -8.5738 -8.5738 1.5087 1.5087 2.7650 2.7650 2.8629 2.8629 3.0586 3.0586 3.4372 3.4372 3.6107 3.6107 3.7697 3.7697 4.4986 4.4986 9.3527 9.3527 9.6318 9.6318 9.7275 9.7275 9.8066 9.8066 k = 0.1038 0.1038-0.0000 ( 5277 PWs) bands (ev): -28.5760 -28.5760 -28.5280 -28.5280 -11.4621 -11.4621 -11.3107 -11.3107 -10.3907 -10.3907 -10.3213 -10.3213 -10.1850 -10.1850 -10.1148 -10.1148 -8.8515 -8.8515 -8.5769 -8.5769 1.4863 1.4863 2.7902 2.7902 2.8991 2.8991 3.0968 3.0968 3.4482 3.4482 3.6160 3.6160 3.7519 3.7519 4.4614 4.4614 9.3775 9.3775 9.5768 9.5768 9.7284 9.7284 9.8045 9.8045 k = 0.0943 0.0943-0.0000 ( 5279 PWs) bands (ev): -28.5767 -28.5767 -28.5278 -28.5278 -11.4618 -11.4618 -11.3070 -11.3070 -10.3915 -10.3915 -10.3143 -10.3143 -10.1846 -10.1846 -10.1107 -10.1107 -8.8623 -8.8623 -8.5799 -8.5799 1.4658 1.4658 2.8155 2.8155 2.9334 2.9334 3.1361 3.1361 3.4580 3.4580 3.6219 3.6219 3.7332 3.7332 4.4211 4.4211 9.4078 9.4078 9.5256 9.5256 9.7305 9.7305 9.8065 9.8065 k = 0.0849 0.0849-0.0000 ( 5275 PWs) bands (ev): -28.5773 -28.5773 -28.5276 -28.5276 -11.4614 -11.4614 -11.3036 -11.3036 -10.3922 -10.3922 -10.3075 -10.3075 -10.1853 -10.1853 -10.1062 -10.1062 -8.8727 -8.8727 -8.5828 -8.5828 1.4471 1.4471 2.8409 2.8409 2.9651 2.9651 3.1753 3.1753 3.4673 3.4673 3.6288 3.6288 3.7140 3.7140 4.3782 4.3782 9.4426 9.4426 9.4791 9.4791 9.7340 9.7340 9.8120 9.8120 k = 0.0755 0.0755-0.0000 ( 5281 PWs) bands (ev): -28.5779 -28.5779 -28.5274 -28.5274 -11.4611 -11.4611 -11.3005 -11.3005 -10.3927 -10.3927 -10.3008 -10.3008 -10.1868 -10.1868 -10.1015 -10.1015 -8.8824 -8.8824 -8.5855 -8.5855 1.4304 1.4304 2.8662 2.8662 2.9939 2.9939 3.2133 3.2133 3.4771 3.4771 3.6364 3.6364 3.6947 3.6947 4.3329 4.3329 9.4352 9.4352 9.4830 9.4830 9.7390 9.7390 9.8205 9.8205 k = 0.0660 0.0660-0.0000 ( 5281 PWs) bands (ev): -28.5784 -28.5784 -28.5272 -28.5272 -11.4608 -11.4608 -11.2977 -11.2977 -10.3932 -10.3932 -10.2943 -10.2943 -10.1889 -10.1889 -10.0967 -10.0967 -8.8913 -8.8913 -8.5880 -8.5880 1.4156 1.4156 2.8913 2.8913 3.0191 3.0191 3.2484 3.2484 3.4887 3.4887 3.6434 3.6434 3.6775 3.6775 4.2857 4.2857 9.3975 9.3975 9.5240 9.5240 9.7463 9.7463 9.8315 9.8315 k = 0.0566 0.0566-0.0000 ( 5289 PWs) bands (ev): -28.5789 -28.5789 -28.5271 -28.5271 -11.4605 -11.4605 -11.2953 -11.2953 -10.3936 -10.3936 -10.2881 -10.2881 -10.1916 -10.1916 -10.0921 -10.0921 -8.8993 -8.8993 -8.5902 -8.5902 1.4027 1.4027 2.9159 2.9159 3.0403 3.0403 3.2789 3.2789 3.5030 3.5030 3.6413 3.6413 3.6719 3.6719 4.2373 4.2373 9.3642 9.3642 9.5651 9.5651 9.7570 9.7570 9.8442 9.8442 k = 0.0472 0.0472-0.0000 ( 5285 PWs) bands (ev): -28.5792 -28.5792 -28.5270 -28.5270 -11.4603 -11.4603 -11.2932 -11.2932 -10.3939 -10.3939 -10.2823 -10.2823 -10.1945 -10.1945 -10.0880 -10.0880 -8.9064 -8.9064 -8.5922 -8.5922 1.3918 1.3918 2.9396 2.9396 3.0569 3.0569 3.3039 3.3039 3.5198 3.5198 3.6260 3.6260 3.6829 3.6829 4.1882 4.1882 9.3358 9.3358 9.6028 9.6028 9.7728 9.7728 9.8580 9.8580 k = 0.0377 0.0377-0.0000 ( 5291 PWs) bands (ev): -28.5795 -28.5795 -28.5269 -28.5269 -11.4601 -11.4601 -11.2914 -11.2914 -10.3942 -10.3942 -10.2770 -10.2770 -10.1975 -10.1975 -10.0844 -10.0844 -8.9123 -8.9123 -8.5939 -8.5939 1.3829 1.3829 2.9620 2.9620 3.0685 3.0685 3.3236 3.3236 3.5376 3.5376 3.6084 3.6084 3.7013 3.7013 4.1395 4.1395 9.3124 9.3124 9.6333 9.6333 9.7949 9.7949 9.8721 9.8721 k = 0.0283 0.0283-0.0000 ( 5287 PWs) bands (ev): -28.5798 -28.5798 -28.5268 -28.5268 -11.4599 -11.4599 -11.2901 -11.2901 -10.3944 -10.3944 -10.2724 -10.2724 -10.2004 -10.2004 -10.0814 -10.0814 -8.9170 -8.9170 -8.5952 -8.5952 1.3759 1.3759 2.9823 2.9823 3.0751 3.0751 3.3386 3.3386 3.5537 3.5537 3.5921 3.5921 3.7246 3.7246 4.0929 4.0929 9.2941 9.2941 9.6545 9.6545 9.8217 9.8217 9.8865 9.8865 k = 0.0189 0.0189-0.0000 ( 5287 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4598 -11.4598 -11.2891 -11.2891 -10.3945 -10.3945 -10.2689 -10.2689 -10.2027 -10.2027 -10.0792 -10.0792 -8.9204 -8.9204 -8.5961 -8.5961 1.3709 1.3709 2.9995 2.9995 3.0773 3.0773 3.3497 3.3497 3.5658 3.5658 3.5786 3.5786 3.7501 3.7501 4.0514 4.0514 9.2809 9.2809 9.6674 9.6674 9.8465 9.8465 9.9013 9.9013 k = 0.0094 0.0094-0.0000 ( 5293 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2885 -11.2885 -10.3946 -10.3946 -10.2666 -10.2666 -10.2043 -10.2043 -10.0779 -10.0779 -8.9225 -8.9225 -8.5967 -8.5967 1.3679 1.3679 3.0116 3.0116 3.0768 3.0768 3.3567 3.3567 3.5697 3.5697 3.5732 3.5732 3.7720 3.7720 4.0203 4.0203 9.2730 9.2730 9.6741 9.6741 9.8625 9.8625 9.9146 9.9146 k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2883 -11.2883 -10.3946 -10.3946 -10.2658 -10.2658 -10.2049 -10.2049 -10.0775 -10.0775 -8.9232 -8.9232 -8.5969 -8.5969 1.3669 1.3669 3.0162 3.0162 3.0761 3.0761 3.3591 3.3591 3.5665 3.5665 3.5756 3.5756 3.7810 3.7810 4.0083 4.0083 9.2704 9.2704 9.6762 9.6762 9.8676 9.8676 9.9204 9.9204 k = 0.0000 0.0000 0.0000 ( 5299 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2883 -11.2883 -10.3946 -10.3946 -10.2658 -10.2658 -10.2049 -10.2049 -10.0775 -10.0775 -8.9232 -8.9232 -8.5969 -8.5969 1.3669 1.3669 3.0162 3.0162 3.0761 3.0761 3.3591 3.3591 3.5665 3.5665 3.5756 3.5756 3.7810 3.7810 4.0083 4.0083 9.2704 9.2704 9.6762 9.6762 9.8676 9.8676 9.9204 9.9204 k = 0.0000 0.0000 0.0133 ( 5291 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4597 -11.4597 -11.2884 -11.2884 -10.3945 -10.3945 -10.2658 -10.2658 -10.2051 -10.2051 -10.0775 -10.0775 -8.9226 -8.9226 -8.5972 -8.5972 1.3674 1.3674 3.0097 3.0097 3.0774 3.0774 3.3588 3.3588 3.5666 3.5666 3.5700 3.5700 3.7814 3.7814 4.0194 4.0194 9.2686 9.2686 9.6780 9.6780 9.8681 9.8681 9.9209 9.9209 k = 0.0000 0.0000 0.0265 ( 5275 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4596 -11.4596 -11.2886 -11.2886 -10.3943 -10.3943 -10.2657 -10.2657 -10.2057 -10.2057 -10.0775 -10.0775 -8.9210 -8.9210 -8.5980 -8.5980 1.3688 1.3688 2.9916 2.9916 3.0798 3.0798 3.3577 3.3577 3.5552 3.5552 3.5667 3.5667 3.7825 3.7825 4.0504 4.0504 9.2630 9.2630 9.6828 9.6828 9.8696 9.8696 9.9222 9.9222 k = 0.0000 0.0000 0.0398 ( 5283 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4594 -11.4594 -11.2889 -11.2889 -10.3940 -10.3940 -10.2657 -10.2657 -10.2068 -10.2068 -10.0775 -10.0775 -8.9182 -8.9182 -8.5994 -8.5994 1.3711 1.3711 2.9642 2.9642 3.0816 3.0816 3.3559 3.3559 3.5360 3.5360 3.5669 3.5669 3.7844 3.7844 4.0964 4.0964 9.2541 9.2541 9.6893 9.6893 9.8720 9.8720 9.9245 9.9245 k = 0.0000 0.0000 0.0530 ( 5287 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4593 -11.4593 -11.2893 -11.2893 -10.3936 -10.3936 -10.2657 -10.2657 -10.2082 -10.2082 -10.0775 -10.0775 -8.9144 -8.9144 -8.6013 -8.6013 1.3744 1.3744 2.9288 2.9288 3.0819 3.0819 3.3536 3.3536 3.5165 3.5165 3.5671 3.5671 3.7869 3.7869 4.1523 4.1523 9.2420 9.2420 9.6945 9.6945 9.8753 9.8753 9.9275 9.9275 k = 0.0000 0.0000 0.0663 ( 5279 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4590 -11.4590 -11.2899 -11.2899 -10.3930 -10.3930 -10.2657 -10.2657 -10.2100 -10.2100 -10.0776 -10.0776 -8.9096 -8.9096 -8.6038 -8.6038 1.3787 1.3787 2.8865 2.8865 3.0808 3.0808 3.3507 3.3507 3.4994 3.4994 3.5675 3.5675 3.7899 3.7899 4.2146 4.2146 9.2272 9.2272 9.6936 9.6936 9.8796 9.8796 9.9314 9.9314 k = 0.0000 0.0000 0.0796 ( 5275 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4588 -11.4588 -11.2905 -11.2905 -10.3924 -10.3924 -10.2656 -10.2656 -10.2122 -10.2122 -10.0776 -10.0776 -8.9038 -8.9038 -8.6069 -8.6069 1.3839 1.3839 2.8386 2.8386 3.0785 3.0785 3.3473 3.3473 3.4856 3.4856 3.5679 3.5679 3.7935 3.7935 4.2804 4.2804 9.2101 9.2101 9.6807 9.6807 9.8847 9.8847 9.9360 9.9360 k = 0.0000 0.0000 0.0928 ( 5283 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4584 -11.4584 -11.2912 -11.2912 -10.3916 -10.3916 -10.2656 -10.2656 -10.2146 -10.2146 -10.0777 -10.0777 -8.8970 -8.8970 -8.6105 -8.6105 1.3901 1.3901 2.7864 2.7864 3.0752 3.0752 3.3435 3.3435 3.4753 3.4753 3.5683 3.5683 3.7975 3.7975 4.3481 4.3481 9.1913 9.1913 9.6523 9.6523 9.8903 9.8903 9.9412 9.9412 k = 0.0000 0.0000 0.1061 ( 5295 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4581 -11.4581 -11.2920 -11.2920 -10.3907 -10.3907 -10.2655 -10.2655 -10.2173 -10.2173 -10.0777 -10.0777 -8.8895 -8.8895 -8.6147 -8.6147 1.3974 1.3974 2.7312 2.7312 3.0713 3.0713 3.3394 3.3394 3.4681 3.4681 3.5688 3.5688 3.8018 3.8018 4.4162 4.4162 9.1714 9.1714 9.6102 9.6102 9.8964 9.8964 9.9470 9.9470 k = 0.0000 0.0000 0.1194 ( 5311 PWs) bands (ev): -28.5801 -28.5801 -28.5267 -28.5267 -11.4577 -11.4577 -11.2929 -11.2929 -10.3898 -10.3898 -10.2654 -10.2654 -10.2202 -10.2202 -10.0778 -10.0778 -8.8812 -8.8812 -8.6195 -8.6195 1.4056 1.4056 2.6743 2.6743 3.0669 3.0669 3.3352 3.3352 3.4634 3.4634 3.5693 3.5693 3.8063 3.8063 4.4837 4.4837 9.1507 9.1507 9.5593 9.5593 9.9028 9.9028 9.9533 9.9533 k = 0.0000 0.0000 0.1326 ( 5303 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4573 -11.4573 -11.2937 -11.2937 -10.3888 -10.3888 -10.2654 -10.2654 -10.2232 -10.2232 -10.0779 -10.0779 -8.8721 -8.8721 -8.6247 -8.6247 1.4149 1.4149 2.6168 2.6168 3.0623 3.0623 3.3308 3.3308 3.4608 3.4608 3.5698 3.5698 3.8109 3.8109 4.5496 4.5496 9.1297 9.1297 9.5042 9.5042 9.9095 9.9095 9.9598 9.9598 k = 0.0000 0.0000 0.1459 ( 5299 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4569 -11.4569 -11.2947 -11.2947 -10.3877 -10.3877 -10.2653 -10.2653 -10.2263 -10.2263 -10.0779 -10.0779 -8.8625 -8.8625 -8.6306 -8.6306 1.4251 1.4251 2.5596 2.5596 3.0576 3.0576 3.3265 3.3265 3.4598 3.4598 3.5704 3.5704 3.8155 3.8155 4.6132 4.6132 9.1090 9.1090 9.4482 9.4482 9.9165 9.9165 9.9666 9.9666 k = 0.0000 0.0000 0.1591 ( 5299 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4565 -11.4565 -11.2956 -11.2956 -10.3865 -10.3865 -10.2652 -10.2652 -10.2295 -10.2295 -10.0780 -10.0780 -8.8524 -8.8524 -8.6369 -8.6369 1.4362 1.4362 2.5037 2.5037 3.0529 3.0529 3.3222 3.3222 3.4598 3.4598 3.5709 3.5709 3.8200 3.8200 4.6738 4.6738 9.0889 9.0889 9.3933 9.3933 9.9235 9.9235 9.9735 9.9735 k = 0.0000 0.0000 0.1724 ( 5303 PWs) bands (ev): -28.5800 -28.5800 -28.5267 -28.5267 -11.4561 -11.4561 -11.2965 -11.2965 -10.3854 -10.3854 -10.2652 -10.2652 -10.2326 -10.2326 -10.0781 -10.0781 -8.8418 -8.8418 -8.6437 -8.6437 1.4480 1.4480 2.4497 2.4497 3.0484 3.0484 3.3181 3.3181 3.4605 3.4605 3.5715 3.5715 3.8244 3.8244 4.7308 4.7308 9.0697 9.0697 9.3408 9.3408 9.9305 9.9305 9.9803 9.9803 k = 0.0000 0.0000 0.1857 ( 5303 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4557 -11.4557 -11.2973 -11.2973 -10.3843 -10.3843 -10.2651 -10.2651 -10.2356 -10.2356 -10.0782 -10.0782 -8.8310 -8.8310 -8.6510 -8.6510 1.4605 1.4605 2.3984 2.3984 3.0441 3.0441 3.3142 3.3142 3.4618 3.4618 3.5720 3.5720 3.8285 3.8285 4.7836 4.7836 9.0518 9.0518 9.2918 9.2918 9.9373 9.9373 9.9868 9.9868 k = 0.0000 0.0000 0.1989 ( 5307 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4553 -11.4553 -11.2982 -11.2982 -10.3832 -10.3832 -10.2650 -10.2650 -10.2384 -10.2384 -10.0782 -10.0782 -8.8199 -8.8199 -8.6588 -8.6588 1.4733 1.4733 2.3503 2.3503 3.0402 3.0402 3.3106 3.3106 3.4633 3.4633 3.5725 3.5725 3.8323 3.8323 4.8316 4.8316 9.0354 9.0354 9.2471 9.2471 9.9437 9.9437 9.9930 9.9930 k = 0.0000 0.0000 0.2122 ( 5299 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4550 -11.4550 -11.2989 -11.2989 -10.3821 -10.3821 -10.2650 -10.2650 -10.2410 -10.2410 -10.0783 -10.0783 -8.8088 -8.8088 -8.6669 -8.6669 1.4861 1.4861 2.3064 2.3064 3.0367 3.0367 3.3074 3.3074 3.4649 3.4649 3.5729 3.5729 3.8357 3.8357 4.8744 4.8744 9.0207 9.0207 9.2071 9.2071 9.9496 9.9496 9.9988 9.9988 k = 0.0000 0.0000 0.2255 ( 5283 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4547 -11.4547 -11.2996 -11.2996 -10.3811 -10.3811 -10.2649 -10.2649 -10.2434 -10.2434 -10.0783 -10.0783 -8.7978 -8.7978 -8.6753 -8.6753 1.4984 1.4984 2.2671 2.2671 3.0336 3.0336 3.3046 3.3046 3.4665 3.4665 3.5733 3.5733 3.8387 3.8387 4.9114 4.9114 9.0080 9.0080 9.1724 9.1724 9.9548 9.9548 10.0039 10.0039 k = 0.0000 0.0000 0.2387 ( 5275 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4544 -11.4544 -11.3002 -11.3002 -10.3803 -10.3803 -10.2649 -10.2649 -10.2454 -10.2454 -10.0784 -10.0784 -8.7871 -8.7871 -8.6838 -8.6838 1.5099 1.5099 2.2334 2.2334 3.0311 3.0311 3.3023 3.3023 3.4679 3.4679 3.5737 3.5737 3.8412 3.8412 4.9423 4.9423 8.9974 8.9974 9.1435 9.1435 9.9593 9.9593 10.0082 10.0082 k = 0.0000 0.0000 0.2520 ( 5279 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4542 -11.4542 -11.3006 -11.3006 -10.3796 -10.3796 -10.2648 -10.2648 -10.2470 -10.2470 -10.0784 -10.0784 -8.7770 -8.7770 -8.6921 -8.6921 1.5197 1.5197 2.2060 2.2060 3.0290 3.0290 3.3004 3.3004 3.4691 3.4691 3.5739 3.5739 3.8432 3.8432 4.9668 4.9668 8.9890 8.9890 9.1206 9.1206 9.9629 9.9629 10.0117 10.0117 k = 0.0000 0.0000 0.2652 ( 5279 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4540 -11.4540 -11.3009 -11.3009 -10.3791 -10.3791 -10.2648 -10.2648 -10.2482 -10.2482 -10.0784 -10.0784 -8.7681 -8.7681 -8.6997 -8.6997 1.5274 1.5274 2.1857 2.1857 3.0276 3.0276 3.2991 3.2991 3.4700 3.4700 3.5741 3.5741 3.8446 3.8446 4.9844 4.9844 8.9830 8.9830 9.1040 9.1040 9.9656 9.9656 10.0143 10.0143 k = 0.0000 0.0000 0.2785 ( 5263 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4539 -11.4539 -11.3011 -11.3011 -10.3788 -10.3788 -10.2648 -10.2648 -10.2489 -10.2489 -10.0784 -10.0784 -8.7615 -8.7615 -8.7054 -8.7054 1.5323 1.5323 2.1732 2.1732 3.0267 3.0267 3.2982 3.2982 3.4705 3.4705 3.5743 3.5743 3.8455 3.8455 4.9951 4.9951 8.9793 8.9793 9.0940 9.0940 9.9672 9.9672 10.0158 10.0158 k = 0.0000 0.0000 0.2918 ( 5264 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4539 -11.4539 -11.3012 -11.3012 -10.3787 -10.3787 -10.2648 -10.2648 -10.2491 -10.2491 -10.0784 -10.0784 -8.7590 -8.7590 -8.7077 -8.7077 1.5340 1.5340 2.1690 2.1690 3.0264 3.0264 3.2980 3.2980 3.4707 3.4707 3.5743 3.5743 3.8458 3.8458 4.9987 4.9987 8.9781 8.9781 9.0907 9.0907 9.9677 9.9677 10.0164 10.0164 k = 0.0000 0.0000 0.2918 ( 5264 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4539 -11.4539 -11.3012 -11.3012 -10.3787 -10.3787 -10.2648 -10.2648 -10.2491 -10.2491 -10.0784 -10.0784 -8.7590 -8.7590 -8.7077 -8.7077 1.5340 1.5340 2.1690 2.1690 3.0264 3.0264 3.2980 3.2980 3.4707 3.4707 3.5743 3.5743 3.8458 3.8458 4.9987 4.9987 8.9781 8.9781 9.0907 9.0907 9.9677 9.9677 10.0164 10.0164 k = 0.0000 0.0135 0.2918 ( 5266 PWs) bands (ev): -28.5799 -28.5799 -28.5268 -28.5268 -11.4539 -11.4539 -11.3014 -11.3014 -10.3787 -10.3787 -10.2677 -10.2677 -10.2463 -10.2463 -10.0788 -10.0788 -8.7588 -8.7588 -8.7071 -8.7071 1.5336 1.5336 2.1696 2.1696 3.0264 3.0264 3.2977 3.2977 3.4649 3.4649 3.5774 3.5774 3.8460 3.8460 4.9976 4.9976 8.9813 8.9813 9.0932 9.0932 9.9670 9.9670 10.0156 10.0156 k = 0.0000 0.0270 0.2918 ( 5278 PWs) bands (ev): -28.5798 -28.5798 -28.5268 -28.5268 -11.4541 -11.4541 -11.3020 -11.3020 -10.3788 -10.3788 -10.2738 -10.2738 -10.2408 -10.2408 -10.0800 -10.0800 -8.7580 -8.7580 -8.7054 -8.7054 1.5323 1.5323 2.1715 2.1715 3.0266 3.0266 3.2971 3.2971 3.4493 3.4493 3.5850 3.5850 3.8467 3.8467 4.9945 4.9945 8.9908 8.9908 9.1007 9.1007 9.9645 9.9645 10.0136 10.0136 k = 0.0000 0.0405 0.2918 ( 5294 PWs) bands (ev): -28.5797 -28.5797 -28.5269 -28.5269 -11.4543 -11.4543 -11.3029 -11.3029 -10.3789 -10.3789 -10.2807 -10.2807 -10.2347 -10.2347 -10.0819 -10.0819 -8.7568 -8.7568 -8.7026 -8.7026 1.5303 1.5303 2.1747 2.1747 3.0270 3.0270 3.2959 3.2959 3.4269 3.4269 3.5942 3.5942 3.8479 3.8479 4.9892 4.9892 9.0066 9.0066 9.1128 9.1128 9.9599 9.9599 10.0117 10.0117 k = 0.0000 0.0541 0.2918 ( 5296 PWs) bands (ev): -28.5794 -28.5794 -28.5270 -28.5270 -11.4546 -11.4546 -11.3042 -11.3042 -10.3791 -10.3791 -10.2879 -10.2879 -10.2286 -10.2286 -10.0845 -10.0845 -8.7551 -8.7551 -8.6987 -8.6987 1.5274 1.5274 2.1790 2.1790 3.0276 3.0276 3.2942 3.2942 3.3997 3.3997 3.6029 3.6029 3.8501 3.8501 4.9819 4.9819 9.0285 9.0285 9.1290 9.1290 9.9523 9.9523 10.0118 10.0118 k = 0.0000 0.0676 0.2918 ( 5298 PWs) bands (ev): -28.5791 -28.5791 -28.5271 -28.5271 -11.4550 -11.4550 -11.3059 -11.3059 -10.3795 -10.3795 -10.2951 -10.2951 -10.2228 -10.2228 -10.0877 -10.0877 -8.7529 -8.7529 -8.6939 -8.6939 1.5237 1.5237 2.1845 2.1845 3.0284 3.0284 3.2915 3.2915 3.3693 3.3693 3.6099 3.6099 3.8534 3.8534 4.9725 4.9725 9.0562 9.0562 9.1484 9.1484 9.9414 9.9414 10.0155 10.0155 k = 0.0000 0.0811 0.2918 ( 5296 PWs) bands (ev): -28.5787 -28.5787 -28.5272 -28.5272 -11.4555 -11.4555 -11.3079 -11.3079 -10.3801 -10.3801 -10.3022 -10.3022 -10.2173 -10.2173 -10.0914 -10.0914 -8.7500 -8.7500 -8.6882 -8.6882 1.5192 1.5192 2.1909 2.1909 3.0295 3.0295 3.2863 3.2863 3.3379 3.3379 3.6149 3.6149 3.8582 3.8582 4.9610 4.9610 9.0896 9.0896 9.1702 9.1702 9.9276 9.9276 10.0243 10.0243 k = 0.0000 0.0946 0.2918 ( 5302 PWs) bands (ev): -28.5783 -28.5783 -28.5274 -28.5274 -11.4561 -11.4561 -11.3103 -11.3103 -10.3810 -10.3810 -10.3089 -10.3089 -10.2123 -10.2123 -10.0956 -10.0956 -8.7467 -8.7467 -8.6817 -8.6817 1.5140 1.5140 2.1983 2.1983 3.0310 3.0310 3.2722 3.2722 3.3125 3.3125 3.6175 3.6175 3.8646 3.8646 4.9475 4.9475 9.1282 9.1282 9.1934 9.1934 9.9118 9.9118 10.0390 10.0390 k = 0.0000 0.1081 0.2918 ( 5306 PWs) bands (ev): -28.5777 -28.5777 -28.5276 -28.5276 -11.4568 -11.4568 -11.3130 -11.3130 -10.3822 -10.3822 -10.3153 -10.3153 -10.2078 -10.2078 -10.1000 -10.1000 -8.7427 -8.7427 -8.6746 -8.6746 1.5080 1.5080 2.2064 2.2064 3.0328 3.0328 3.2417 3.2417 3.3011 3.3011 3.6177 3.6177 3.8727 3.8727 4.9321 4.9321 9.1717 9.1717 9.2171 9.2171 9.8947 9.8947 10.0604 10.0604 k = 0.0000 0.1216 0.2918 ( 5298 PWs) bands (ev): -28.5772 -28.5772 -28.5278 -28.5278 -11.4575 -11.4575 -11.3161 -11.3161 -10.3840 -10.3840 -10.3211 -10.3211 -10.2038 -10.2038 -10.1045 -10.1045 -8.7382 -8.7382 -8.6669 -8.6669 1.5013 1.5013 2.2150 2.2150 3.0349 3.0349 3.2023 3.2023 3.2967 3.2967 3.6156 3.6156 3.8823 3.8823 4.9146 4.9146 9.2196 9.2196 9.2407 9.2407 9.8771 9.8771 10.0892 10.0892 k = 0.0000 0.1351 0.2918 ( 5306 PWs) bands (ev): -28.5765 -28.5765 -28.5280 -28.5280 -11.4583 -11.4583 -11.3195 -11.3195 -10.3864 -10.3864 -10.3264 -10.3264 -10.2006 -10.2006 -10.1090 -10.1090 -8.7332 -8.7332 -8.6588 -8.6588 1.4940 1.4940 2.2238 2.2238 3.0373 3.0373 3.1598 3.1598 3.2944 3.2944 3.6114 3.6114 3.8934 3.8934 4.8953 4.8953 9.2621 9.2621 9.2730 9.2730 9.8596 9.8596 10.1257 10.1257 k = 0.0000 0.1486 0.2918 ( 5318 PWs) bands (ev): -28.5758 -28.5758 -28.5283 -28.5283 -11.4591 -11.4591 -11.3232 -11.3232 -10.3894 -10.3894 -10.3309 -10.3309 -10.1981 -10.1981 -10.1132 -10.1132 -8.7276 -8.7276 -8.6503 -8.6503 1.4861 1.4861 2.2325 2.2325 3.0394 3.0394 3.1166 3.1166 3.2931 3.2931 3.6055 3.6055 3.9057 3.9057 4.8741 4.8741 9.2842 9.2842 9.3282 9.3282 9.8429 9.8429 10.1699 10.1699 k = 0.0000 0.1622 0.2918 ( 5312 PWs) bands (ev): -28.5751 -28.5751 -28.5286 -28.5286 -11.4600 -11.4600 -11.3271 -11.3271 -10.3930 -10.3930 -10.3348 -10.3348 -10.1963 -10.1963 -10.1171 -10.1171 -8.7216 -8.7216 -8.6415 -8.6415 1.4778 1.4778 2.2406 2.2406 3.0379 3.0379 3.0772 3.0772 3.2924 3.2924 3.5980 3.5980 3.9189 3.9189 4.8510 4.8510 9.3049 9.3049 9.3872 9.3872 9.8273 9.8273 10.2214 10.2214 k = 0.0000 0.1757 0.2918 ( 5308 PWs) bands (ev): -28.5743 -28.5743 -28.5289 -28.5289 -11.4610 -11.4610 -11.3314 -11.3314 -10.3972 -10.3972 -10.3382 -10.3382 -10.1954 -10.1954 -10.1205 -10.1205 -8.7151 -8.7151 -8.6326 -8.6326 1.4690 1.4690 2.2475 2.2475 3.0149 3.0149 3.0602 3.0602 3.2922 3.2922 3.5893 3.5893 3.9327 3.9327 4.8263 4.8263 9.3250 9.3250 9.4489 9.4489 9.8132 9.8132 10.2795 10.2795 k = 0.0000 0.1892 0.2918 ( 5318 PWs) bands (ev): -28.5734 -28.5734 -28.5293 -28.5293 -11.4620 -11.4620 -11.3360 -11.3360 -10.4018 -10.4018 -10.3411 -10.3411 -10.1952 -10.1952 -10.1232 -10.1232 -8.7081 -8.7081 -8.6236 -8.6236 1.4601 1.4601 2.2526 2.2526 2.9759 2.9759 3.0616 3.0616 3.2926 3.2926 3.5796 3.5796 3.9469 3.9469 4.7999 4.7999 9.3453 9.3453 9.5130 9.5130 9.8011 9.8011 10.3431 10.3431 k = 0.0000 0.2027 0.2918 ( 5314 PWs) bands (ev): -28.5725 -28.5725 -28.5297 -28.5297 -11.4630 -11.4630 -11.3407 -11.3407 -10.4067 -10.4067 -10.3439 -10.3439 -10.1957 -10.1957 -10.1253 -10.1253 -8.7008 -8.7008 -8.6146 -8.6146 1.4510 1.4510 2.2550 2.2550 2.9367 2.9367 3.0664 3.0664 3.2935 3.2935 3.5691 3.5691 3.9612 3.9612 4.7719 4.7719 9.3663 9.3663 9.5789 9.5789 9.7911 9.7911 10.4110 10.4110 k = 0.0000 0.2162 0.2918 ( 5308 PWs) bands (ev): -28.5715 -28.5715 -28.5301 -28.5301 -11.4640 -11.4640 -11.3457 -11.3457 -10.4118 -10.4118 -10.3465 -10.3465 -10.1966 -10.1966 -10.1268 -10.1268 -8.6932 -8.6932 -8.6058 -8.6058 1.4420 1.4420 2.2537 2.2537 2.9007 2.9007 3.0725 3.0725 3.2949 3.2949 3.5581 3.5581 3.9755 3.9755 4.7426 4.7426 9.3886 9.3886 9.6462 9.6462 9.7836 9.7836 10.4818 10.4818 k = 0.0000 0.2297 0.2918 ( 5308 PWs) bands (ev): -28.5705 -28.5705 -28.5305 -28.5305 -11.4650 -11.4650 -11.3509 -11.3509 -10.4168 -10.4168 -10.3493 -10.3493 -10.1978 -10.1978 -10.1279 -10.1279 -8.6852 -8.6852 -8.5971 -8.5971 1.4331 1.4331 2.2477 2.2477 2.8698 2.8698 3.0793 3.0793 3.2967 3.2967 3.5468 3.5468 3.9895 3.9895 4.7119 4.7119 9.4130 9.4130 9.7146 9.7146 9.7787 9.7787 10.5541 10.5541 k = 0.0000 0.2432 0.2918 ( 5308 PWs) bands (ev): -28.5695 -28.5695 -28.5310 -28.5310 -11.4660 -11.4660 -11.3563 -11.3563 -10.4218 -10.4218 -10.3522 -10.3522 -10.1991 -10.1991 -10.1286 -10.1286 -8.6770 -8.6770 -8.5886 -8.5886 1.4247 1.4247 2.2360 2.2360 2.8451 2.8451 3.0867 3.0867 3.2989 3.2989 3.5355 3.5355 4.0030 4.0030 4.6800 4.6800 9.4397 9.4397 9.7752 9.7752 9.7851 9.7851 10.6264 10.6264 k = 0.0000 0.2568 0.2918 ( 5320 PWs) bands (ev): -28.5684 -28.5684 -28.5316 -28.5316 -11.4669 -11.4669 -11.3618 -11.3618 -10.4265 -10.4265 -10.3555 -10.3555 -10.2002 -10.2002 -10.1291 -10.1291 -8.6686 -8.6686 -8.5805 -8.5805 1.4168 1.4168 2.2182 2.2182 2.8275 2.8275 3.0946 3.0946 3.3013 3.3013 3.5242 3.5242 4.0159 4.0159 4.6471 4.6471 9.4693 9.4693 9.7768 9.7768 9.8536 9.8536 10.6971 10.6971 k = 0.0000 0.2703 0.2918 ( 5312 PWs) bands (ev): -28.5673 -28.5673 -28.5321 -28.5321 -11.4678 -11.4678 -11.3675 -11.3675 -10.4310 -10.4310 -10.3592 -10.3592 -10.2010 -10.2010 -10.1295 -10.1295 -8.6601 -8.6601 -8.5728 -8.5728 1.4096 1.4096 2.1942 2.1942 2.8172 2.8172 3.1028 3.1028 3.3037 3.3037 3.5133 3.5133 4.0281 4.0281 4.6134 4.6134 9.5020 9.5020 9.7805 9.7805 9.9231 9.9231 10.7529 10.7529 k = 0.0000 0.2838 0.2918 ( 5316 PWs) bands (ev): -28.5662 -28.5662 -28.5327 -28.5327 -11.4686 -11.4686 -11.3732 -11.3732 -10.4352 -10.4352 -10.3632 -10.3632 -10.2014 -10.2014 -10.1299 -10.1299 -8.6514 -8.6514 -8.5655 -8.5655 1.4034 1.4034 2.1644 2.1644 2.8140 2.8140 3.1113 3.1113 3.3058 3.3058 3.5031 3.5031 4.0395 4.0395 4.5791 4.5791 9.5378 9.5378 9.7871 9.7871 9.9924 9.9924 10.7497 10.7497 k = 0.0000 0.2973 0.2918 ( 5300 PWs) bands (ev): -28.5650 -28.5650 -28.5333 -28.5333 -11.4692 -11.4692 -11.3790 -11.3790 -10.4390 -10.4390 -10.3677 -10.3677 -10.2013 -10.2013 -10.1304 -10.1304 -8.6427 -8.6427 -8.5588 -8.5588 1.3982 1.3982 2.1296 2.1296 2.8170 2.8170 3.1199 3.1199 3.3075 3.3075 3.4938 3.4938 4.0499 4.0499 4.5443 4.5443 9.5767 9.5767 9.7968 9.7968 10.0611 10.0611 10.7447 10.7447 k = 0.0000 0.3108 0.2918 ( 5308 PWs) bands (ev): -28.5638 -28.5638 -28.5340 -28.5340 -11.4698 -11.4698 -11.3848 -11.3848 -10.4424 -10.4424 -10.3724 -10.3724 -10.2007 -10.2007 -10.1310 -10.1310 -8.6340 -8.6340 -8.5526 -8.5526 1.3944 1.3944 2.0911 2.0911 2.8253 2.8253 3.1287 3.1287 3.3084 3.3084 3.4857 3.4857 4.0594 4.0594 4.5094 4.5094 9.6187 9.6187 9.8095 9.8095 10.1285 10.1285 10.7373 10.7373 k = 0.0000 0.3243 0.2918 ( 5312 PWs) bands (ev): -28.5626 -28.5626 -28.5347 -28.5347 -11.4702 -11.4702 -11.3907 -11.3907 -10.4453 -10.4453 -10.3775 -10.3775 -10.1996 -10.1996 -10.1317 -10.1317 -8.6253 -8.6253 -8.5470 -8.5470 1.3919 1.3919 2.0498 2.0498 2.8379 2.8379 3.1375 3.1375 3.3085 3.3085 3.4789 3.4789 4.0679 4.0679 4.4745 4.4745 9.6635 9.6635 9.8253 9.8253 10.1940 10.1940 10.7270 10.7270 k = 0.0000 0.3378 0.2918 ( 5308 PWs) bands (ev): -28.5614 -28.5614 -28.5354 -28.5354 -11.4704 -11.4704 -11.3965 -11.3965 -10.4478 -10.4478 -10.3827 -10.3827 -10.1981 -10.1981 -10.1327 -10.1327 -8.6167 -8.6167 -8.5420 -8.5420 1.3910 1.3910 2.0067 2.0067 2.8538 2.8538 3.1460 3.1460 3.3076 3.3076 3.4734 3.4734 4.0755 4.0755 4.4399 4.4399 9.7105 9.7105 9.8442 9.8442 10.2564 10.2564 10.7130 10.7130 k = 0.0000 0.3514 0.2918 ( 5312 PWs) bands (ev): -28.5602 -28.5602 -28.5362 -28.5362 -11.4705 -11.4705 -11.4022 -11.4022 -10.4499 -10.4499 -10.3881 -10.3881 -10.1961 -10.1961 -10.1339 -10.1339 -8.6083 -8.6083 -8.5377 -8.5377 1.3919 1.3919 1.9626 1.9626 2.8722 2.8722 3.1541 3.1541 3.3060 3.3060 3.4692 3.4692 4.0822 4.0822 4.4059 4.4059 9.7595 9.7595 9.8661 9.8661 10.3139 10.3139 10.6949 10.6949 k = 0.0000 0.3649 0.2918 ( 5310 PWs) bands (ev): -28.5589 -28.5589 -28.5370 -28.5370 -11.4703 -11.4703 -11.4079 -11.4079 -10.4514 -10.4514 -10.3936 -10.3936 -10.1937 -10.1937 -10.1352 -10.1352 -8.6000 -8.6000 -8.5340 -8.5340 1.3946 1.3946 1.9183 1.9183 2.8923 2.8923 3.1612 3.1612 3.3044 3.3044 3.4660 3.4660 4.0881 4.0881 4.3728 4.3728 9.8097 9.8097 9.8910 9.8910 10.3636 10.3636 10.6723 10.6723 k = 0.0000 0.3784 0.2918 ( 5310 PWs) bands (ev): -28.5577 -28.5577 -28.5378 -28.5378 -11.4699 -11.4699 -11.4134 -11.4134 -10.4525 -10.4525 -10.3991 -10.3991 -10.1910 -10.1910 -10.1368 -10.1368 -8.5919 -8.5919 -8.5311 -8.5311 1.3994 1.3994 1.8742 1.8742 2.9136 2.9136 3.1667 3.1667 3.3034 3.3034 3.4632 3.4632 4.0933 4.0933 4.3409 4.3409 9.8604 9.8604 9.9190 9.9190 10.4014 10.4014 10.6452 10.6452 k = 0.0000 0.3919 0.2918 ( 5322 PWs) bands (ev): -28.5564 -28.5564 -28.5387 -28.5387 -11.4693 -11.4693 -11.4188 -11.4188 -10.4531 -10.4531 -10.4046 -10.4046 -10.1881 -10.1881 -10.1387 -10.1387 -8.5842 -8.5842 -8.5289 -8.5289 1.4062 1.4062 1.8310 1.8310 2.9354 2.9354 3.1699 3.1699 3.3041 3.3041 3.4604 3.4604 4.0980 4.0980 4.3106 4.3106 9.9106 9.9106 9.9502 9.9502 10.4235 10.4235 10.6138 10.6138 k = 0.0000 0.4054 0.2918 ( 5314 PWs) bands (ev): -28.5552 -28.5552 -28.5396 -28.5396 -11.4684 -11.4684 -11.4240 -11.4240 -10.4531 -10.4531 -10.4099 -10.4099 -10.1849 -10.1849 -10.1408 -10.1408 -8.5767 -8.5767 -8.5274 -8.5274 1.4152 1.4152 1.7889 1.7889 2.9575 2.9575 3.1700 3.1700 3.3074 3.3074 3.4571 3.4571 4.1024 4.1024 4.2820 4.2820 9.9592 9.9592 9.9850 9.9850 10.4290 10.4290 10.5783 10.5783 k = 0.0000 0.4189 0.2918 ( 5314 PWs) bands (ev): -28.5540 -28.5540 -28.5405 -28.5405 -11.4672 -11.4672 -11.4290 -11.4290 -10.4527 -10.4527 -10.4151 -10.4151 -10.1816 -10.1816 -10.1431 -10.1431 -8.5696 -8.5696 -8.5267 -8.5267 1.4266 1.4266 1.7482 1.7482 2.9794 2.9794 3.1668 3.1668 3.3138 3.3138 3.4528 3.4528 4.1067 4.1067 4.2555 4.2555 10.0044 10.0044 10.0243 10.0243 10.4208 10.4208 10.5393 10.5393 k = 0.0000 0.4324 0.2918 ( 5306 PWs) bands (ev): -28.5527 -28.5527 -28.5415 -28.5415 -11.4657 -11.4657 -11.4338 -11.4338 -10.4519 -10.4519 -10.4201 -10.4201 -10.1782 -10.1782 -10.1456 -10.1456 -8.5629 -8.5629 -8.5267 -8.5267 1.4402 1.4402 1.7092 1.7092 3.0008 3.0008 3.1604 3.1604 3.3233 3.3233 3.4470 3.4470 4.1112 4.1112 4.2313 4.2313 10.0465 10.0465 10.0673 10.0673 10.4035 10.4035 10.4975 10.4975 k = 0.0000 0.4459 0.2918 ( 5312 PWs) bands (ev): -28.5515 -28.5515 -28.5425 -28.5425 -11.4639 -11.4639 -11.4383 -11.4383 -10.4505 -10.4505 -10.4248 -10.4248 -10.1747 -10.1747 -10.1483 -10.1483 -8.5567 -8.5567 -8.5273 -8.5273 1.4563 1.4563 1.6720 1.6720 3.0216 3.0216 3.1512 3.1512 3.3352 3.3352 3.4396 3.4396 4.1161 4.1161 4.2096 4.2096 10.0879 10.0879 10.1107 10.1107 10.3806 10.3806 10.4536 10.4536 k = 0.0000 0.4595 0.2918 ( 5300 PWs) bands (ev): -28.5503 -28.5503 -28.5436 -28.5436 -11.4618 -11.4618 -11.4425 -11.4425 -10.4487 -10.4487 -10.4293 -10.4293 -10.1711 -10.1711 -10.1511 -10.1511 -8.5510 -8.5510 -8.5288 -8.5288 1.4748 1.4748 1.6370 1.6370 3.0416 3.0416 3.1397 3.1397 3.3488 3.3488 3.4304 3.4304 4.1219 4.1219 4.1903 4.1903 10.1300 10.1300 10.1529 10.1529 10.3539 10.3539 10.4084 10.4084 k = 0.0000 0.4730 0.2918 ( 5308 PWs) bands (ev): -28.5491 -28.5491 -28.5446 -28.5446 -11.4594 -11.4594 -11.4465 -11.4465 -10.4465 -10.4465 -10.4335 -10.4335 -10.1676 -10.1676 -10.1542 -10.1542 -8.5458 -8.5458 -8.5309 -8.5309 1.4958 1.4958 1.6040 1.6040 3.0606 3.0606 3.1265 3.1265 3.3635 3.3635 3.4194 3.4194 4.1288 4.1288 4.1736 4.1736 10.1729 10.1729 10.1934 10.1934 10.3245 10.3245 10.3625 10.3625 k = 0.0000 0.4865 0.2918 ( 5312 PWs) bands (ev): -28.5480 -28.5480 -28.5457 -28.5457 -11.4566 -11.4566 -11.4502 -11.4502 -10.4438 -10.4438 -10.4373 -10.4373 -10.1641 -10.1641 -10.1574 -10.1574 -8.5411 -8.5411 -8.5336 -8.5336 1.5192 1.5192 1.5734 1.5734 3.0788 3.0788 3.1118 3.1118 3.3784 3.3784 3.4069 3.4069 4.1371 4.1371 4.1592 4.1592 10.2159 10.2159 10.2326 10.2326 10.2924 10.2924 10.3170 10.3170 k = 0.0000 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4536 -11.4536 -11.4536 -11.4536 -10.4407 -10.4407 -10.4407 -10.4407 -10.1607 -10.1607 -10.1607 -10.1607 -8.5371 -8.5371 -8.5371 -8.5371 1.5451 1.5451 1.5451 1.5451 3.0958 3.0958 3.0958 3.0958 3.3931 3.3931 3.3931 3.3931 4.1471 4.1471 4.1471 4.1471 10.2561 10.2561 10.2561 10.2561 10.2736 10.2736 10.2736 10.2736 k = 0.0000 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4536 -11.4536 -11.4536 -11.4536 -10.4407 -10.4407 -10.4407 -10.4407 -10.1607 -10.1607 -10.1607 -10.1607 -8.5371 -8.5371 -8.5371 -8.5371 1.5451 1.5451 1.5451 1.5451 3.0958 3.0958 3.0958 3.0958 3.3931 3.3931 3.3931 3.3931 4.1471 4.1471 4.1471 4.1471 10.2561 10.2561 10.2561 10.2561 10.2736 10.2736 10.2736 10.2736 k = 0.0135 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4543 -11.4543 -11.4528 -11.4528 -10.4444 -10.4444 -10.4369 -10.4369 -10.1638 -10.1638 -10.1580 -10.1580 -8.5373 -8.5373 -8.5372 -8.5372 1.5455 1.5455 1.5472 1.5472 3.0947 3.0947 3.0949 3.0949 3.3916 3.3916 3.3920 3.3920 4.1457 4.1457 4.1494 4.1494 10.2224 10.2224 10.2295 10.2295 10.3050 10.3050 10.3085 10.3085 k = 0.0270 0.5000 0.2918 ( 5312 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4550 -11.4550 -11.4519 -11.4519 -10.4478 -10.4478 -10.4330 -10.4330 -10.1673 -10.1673 -10.1555 -10.1555 -8.5380 -8.5380 -8.5377 -8.5377 1.5483 1.5483 1.5517 1.5517 3.0917 3.0917 3.0920 3.0920 3.3875 3.3875 3.3885 3.3885 4.1451 4.1451 4.1524 4.1524 10.1872 10.1872 10.1959 10.1959 10.3496 10.3496 10.3510 10.3510 k = 0.0405 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5467 -28.5467 -28.5467 -28.5467 -11.4557 -11.4557 -11.4510 -11.4510 -10.4510 -10.4510 -10.4288 -10.4288 -10.1710 -10.1710 -10.1534 -10.1534 -8.5391 -8.5391 -8.5386 -8.5386 1.5536 1.5536 1.5586 1.5586 3.0868 3.0868 3.0868 3.0868 3.3809 3.3809 3.3826 3.3826 4.1452 4.1452 4.1559 4.1559 10.1550 10.1550 10.1649 10.1649 10.3964 10.3964 10.3975 10.3975 k = 0.0541 0.5000 0.2918 ( 5304 PWs) bands (ev): -28.5467 -28.5467 -28.5467 -28.5467 -11.4562 -11.4562 -11.4500 -11.4500 -10.4540 -10.4540 -10.4245 -10.4245 -10.1751 -10.1751 -10.1516 -10.1516 -8.5406 -8.5406 -8.5400 -8.5400 1.5611 1.5611 1.5679 1.5679 3.0794 3.0794 3.0801 3.0801 3.3721 3.3721 3.3748 3.3748 4.1460 4.1460 4.1600 4.1600 10.1260 10.1260 10.1369 10.1369 10.4441 10.4441 10.4480 10.4480 k = 0.0676 0.5000 0.2918 ( 5304 PWs) bands (ev): -28.5466 -28.5466 -28.5466 -28.5466 -11.4567 -11.4567 -11.4490 -11.4490 -10.4569 -10.4569 -10.4200 -10.4200 -10.1795 -10.1795 -10.1501 -10.1501 -8.5425 -8.5425 -8.5417 -8.5417 1.5710 1.5710 1.5795 1.5795 3.0696 3.0696 3.0717 3.0717 3.3613 3.3613 3.3654 3.3654 4.1472 4.1472 4.1642 4.1642 10.1002 10.1002 10.1118 10.1118 10.4939 10.4939 10.5009 10.5009 k = 0.0811 0.5000 0.2918 ( 5292 PWs) bands (ev): -28.5464 -28.5464 -28.5464 -28.5464 -11.4572 -11.4572 -11.4480 -11.4480 -10.4595 -10.4595 -10.4153 -10.4153 -10.1842 -10.1842 -10.1488 -10.1488 -8.5448 -8.5448 -8.5438 -8.5438 1.5830 1.5830 1.5935 1.5935 3.0573 3.0573 3.0615 3.0615 3.3489 3.3489 3.3547 3.3547 4.1487 4.1487 4.1684 4.1684 10.0774 10.0774 10.0896 10.0896 10.5452 10.5452 10.5557 10.5557 k = 0.0946 0.5000 0.2918 ( 5296 PWs) bands (ev): -28.5463 -28.5463 -28.5463 -28.5463 -11.4575 -11.4575 -11.4470 -11.4470 -10.4619 -10.4619 -10.4104 -10.4104 -10.1892 -10.1892 -10.1479 -10.1479 -8.5474 -8.5474 -8.5463 -8.5463 1.5971 1.5971 1.6096 1.6096 3.0426 3.0426 3.0497 3.0497 3.3351 3.3351 3.3432 3.3432 4.1502 4.1502 4.1725 4.1725 10.0577 10.0577 10.0703 10.0703 10.5973 10.5973 10.6116 10.6116 k = 0.1081 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5461 -28.5461 -28.5461 -28.5461 -11.4578 -11.4578 -11.4459 -11.4459 -10.4641 -10.4641 -10.4054 -10.4054 -10.1944 -10.1944 -10.1472 -10.1472 -8.5504 -8.5504 -8.5491 -8.5491 1.6133 1.6133 1.6279 1.6279 3.0254 3.0254 3.0363 3.0363 3.3202 3.3202 3.3312 3.3312 4.1516 4.1516 4.1760 4.1760 10.0410 10.0410 10.0538 10.0538 10.6495 10.6495 10.6680 10.6680 k = 0.1216 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5460 -28.5460 -28.5460 -28.5460 -11.4581 -11.4581 -11.4449 -11.4449 -10.4661 -10.4661 -10.4003 -10.4003 -10.2000 -10.2000 -10.1468 -10.1468 -8.5537 -8.5537 -8.5523 -8.5523 1.6312 1.6312 1.6482 1.6482 3.0059 3.0059 3.0215 3.0215 3.3046 3.3046 3.3189 3.3189 4.1528 4.1528 4.1790 4.1790 10.0271 10.0271 10.0399 10.0399 10.7010 10.7010 10.7238 10.7238 k = 0.1351 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5458 -28.5458 -28.5458 -28.5458 -11.4582 -11.4582 -11.4440 -11.4440 -10.4678 -10.4678 -10.3950 -10.3950 -10.2057 -10.2057 -10.1467 -10.1467 -8.5573 -8.5573 -8.5558 -8.5558 1.6509 1.6509 1.6703 1.6703 2.9843 2.9843 3.0054 3.0054 3.2885 3.2885 3.3067 3.3067 4.1534 4.1534 4.1812 4.1812 10.0158 10.0158 10.0287 10.0287 10.7509 10.7509 10.7781 10.7781 k = 0.1486 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5456 -28.5456 -28.5455 -28.5455 -11.4584 -11.4584 -11.4430 -11.4430 -10.4692 -10.4692 -10.3895 -10.3895 -10.2117 -10.2117 -10.1467 -10.1467 -8.5612 -8.5612 -8.5596 -8.5596 1.6722 1.6722 1.6942 1.6942 2.9608 2.9608 2.9882 2.9882 3.2721 3.2721 3.2945 3.2945 4.1535 4.1535 4.1825 4.1825 10.0072 10.0072 10.0198 10.0198 10.7985 10.7985 10.8300 10.8300 k = 0.1622 0.5000 0.2918 ( 5304 PWs) bands (ev): -28.5453 -28.5453 -28.5453 -28.5453 -11.4584 -11.4584 -11.4421 -11.4421 -10.4705 -10.4705 -10.3840 -10.3840 -10.2178 -10.2178 -10.1470 -10.1470 -8.5654 -8.5654 -8.5636 -8.5636 1.6948 1.6948 1.7197 1.7197 2.9357 2.9357 2.9701 2.9701 3.2555 3.2555 3.2825 3.2825 4.1529 4.1529 4.1828 4.1828 10.0011 10.0011 10.0133 10.0133 10.8432 10.8432 10.8787 10.8787 k = 0.1757 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5451 -28.5451 -28.5451 -28.5451 -11.4585 -11.4585 -11.4413 -11.4413 -10.4714 -10.4714 -10.3783 -10.3783 -10.2242 -10.2242 -10.1474 -10.1474 -8.5698 -8.5698 -8.5679 -8.5679 1.7186 1.7186 1.7467 1.7467 2.9094 2.9094 2.9515 2.9515 3.2388 3.2388 3.2707 3.2707 4.1516 4.1516 4.1821 4.1821 9.9972 9.9972 10.0091 10.0091 10.8848 10.8848 10.9240 10.9240 k = 0.1892 0.5000 0.2918 ( 5296 PWs) bands (ev): -28.5448 -28.5448 -28.5448 -28.5448 -11.4584 -11.4584 -11.4405 -11.4405 -10.4721 -10.4721 -10.3725 -10.3725 -10.2306 -10.2306 -10.1481 -10.1481 -8.5745 -8.5745 -8.5725 -8.5725 1.7434 1.7434 1.7748 1.7748 2.8821 2.8821 2.9326 2.9326 3.2220 3.2220 3.2590 3.2590 4.1494 4.1494 4.1803 4.1803 9.9955 9.9955 10.0068 10.0068 10.9236 10.9236 10.9659 10.9659 k = 0.2027 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5446 -28.5446 -28.5446 -28.5446 -11.4584 -11.4584 -11.4399 -11.4399 -10.4725 -10.4725 -10.3667 -10.3667 -10.2371 -10.2371 -10.1490 -10.1490 -8.5793 -8.5793 -8.5772 -8.5772 1.7690 1.7690 1.8040 1.8040 2.8544 2.8544 2.9137 2.9137 3.2053 3.2053 3.2473 3.2473 4.1466 4.1466 4.1775 4.1775 9.9957 9.9957 10.0065 10.0065 10.9599 10.9599 11.0049 11.0049 k = 0.2162 0.5000 0.2918 ( 5296 PWs) bands (ev): -28.5443 -28.5443 -28.5443 -28.5443 -11.4583 -11.4583 -11.4393 -11.4393 -10.4726 -10.4726 -10.3608 -10.3608 -10.2436 -10.2436 -10.1500 -10.1500 -8.5843 -8.5843 -8.5821 -8.5821 1.7950 1.7950 1.8341 1.8341 2.8266 2.8266 2.8952 2.8952 3.1885 3.1885 3.2357 3.2357 4.1429 4.1429 4.1738 4.1738 9.9978 9.9978 10.0080 10.0080 10.9942 10.9942 11.0417 11.0417 k = 0.2297 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5441 -28.5441 -28.5441 -28.5441 -11.4582 -11.4582 -11.4388 -11.4388 -10.4723 -10.4723 -10.3550 -10.3550 -10.2501 -10.2501 -10.1512 -10.1512 -8.5894 -8.5894 -8.5871 -8.5871 1.8214 1.8214 1.8647 1.8647 2.7990 2.7990 2.8774 2.8774 3.1717 3.1717 3.2241 3.2241 4.1385 4.1385 4.1690 4.1690 10.0016 10.0016 10.0111 10.0111 11.0270 11.0270 11.0768 11.0768 k = 0.2432 0.5000 0.2918 ( 5292 PWs) bands (ev): -28.5438 -28.5438 -28.5438 -28.5438 -11.4580 -11.4580 -11.4385 -11.4385 -10.4718 -10.4718 -10.3493 -10.3493 -10.2565 -10.2565 -10.1525 -10.1525 -8.5946 -8.5946 -8.5923 -8.5923 1.8477 1.8477 1.8956 1.8956 2.7719 2.7719 2.8605 2.8605 3.1548 3.1548 3.2124 3.2124 4.1335 4.1335 4.1634 4.1634 10.0068 10.0068 10.0157 10.0157 11.0588 11.0588 11.1109 11.1109 k = 0.2568 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5435 -28.5435 -28.5435 -28.5435 -11.4578 -11.4578 -11.4382 -11.4382 -10.4710 -10.4710 -10.3438 -10.3438 -10.2626 -10.2626 -10.1540 -10.1540 -8.5998 -8.5998 -8.5975 -8.5975 1.8738 1.8738 1.9265 1.9265 2.7459 2.7459 2.8449 2.8449 3.1378 3.1378 3.2005 3.2005 4.1278 4.1278 4.1570 4.1570 10.0134 10.0134 10.0216 10.0216 11.0897 11.0897 11.1440 11.1440 k = 0.2703 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5433 -28.5433 -28.5433 -28.5433 -11.4576 -11.4576 -11.4381 -11.4381 -10.4698 -10.4698 -10.3388 -10.3388 -10.2683 -10.2683 -10.1557 -10.1557 -8.6051 -8.6051 -8.6027 -8.6027 1.8994 1.8994 1.9571 1.9571 2.7212 2.7212 2.8309 2.8309 3.1207 3.1207 3.1885 3.1885 4.1217 4.1217 4.1499 4.1499 10.0211 10.0211 10.0286 10.0286 11.1197 11.1197 11.1762 11.1762 k = 0.2838 0.5000 0.2918 ( 5312 PWs) bands (ev): -28.5430 -28.5430 -28.5430 -28.5430 -11.4574 -11.4574 -11.4381 -11.4381 -10.4683 -10.4683 -10.3344 -10.3344 -10.2732 -10.2732 -10.1575 -10.1575 -8.6103 -8.6103 -8.6079 -8.6079 1.9242 1.9242 1.9871 1.9871 2.6982 2.6982 2.8187 2.8187 3.1035 3.1035 3.1763 3.1763 4.1151 4.1151 4.1423 4.1423 10.0298 10.0298 10.0366 10.0366 11.1487 11.1487 11.2071 11.2071 k = 0.2973 0.5000 0.2918 ( 5308 PWs) bands (ev): -28.5428 -28.5428 -28.5428 -28.5428 -11.4571 -11.4571 -11.4382 -11.4382 -10.4665 -10.4665 -10.3312 -10.3312 -10.2770 -10.2770 -10.1595 -10.1595 -8.6155 -8.6155 -8.6131 -8.6131 1.9480 1.9480 2.0159 2.0159 2.6774 2.6774 2.8086 2.8086 3.0861 3.0861 3.1638 3.1638 4.1082 4.1082 4.1342 4.1342 10.0392 10.0392 10.0454 10.0454 11.1760 11.1760 11.2360 11.2360 k = 0.3108 0.5000 0.2918 ( 5324 PWs) bands (ev): -28.5425 -28.5425 -28.5425 -28.5425 -11.4568 -11.4568 -11.4384 -11.4384 -10.4643 -10.4643 -10.3297 -10.3297 -10.2791 -10.2791 -10.1617 -10.1617 -8.6205 -8.6205 -8.6181 -8.6181 1.9706 1.9706 2.0433 2.0433 2.6591 2.6591 2.8007 2.8007 3.0686 3.0686 3.1511 3.1511 4.1011 4.1011 4.1257 4.1257 10.0492 10.0492 10.0548 10.0548 11.2010 11.2010 11.2620 11.2620 k = 0.3243 0.5000 0.2918 ( 5336 PWs) bands (ev): -28.5423 -28.5423 -28.5423 -28.5423 -11.4565 -11.4565 -11.4387 -11.4387 -10.4618 -10.4618 -10.3301 -10.3301 -10.2792 -10.2792 -10.1641 -10.1641 -8.6254 -8.6254 -8.6231 -8.6231 1.9918 1.9918 2.0687 2.0687 2.6437 2.6437 2.7951 2.7951 3.0508 3.0508 3.1380 3.1380 4.0939 4.0939 4.1171 4.1171 10.0596 10.0596 10.0646 10.0646 11.2229 11.2229 11.2838 11.2838 k = 0.3378 0.5000 0.2918 ( 5316 PWs) bands (ev): -28.5420 -28.5420 -28.5420 -28.5420 -11.4561 -11.4561 -11.4391 -11.4391 -10.4590 -10.4590 -10.3325 -10.3325 -10.2772 -10.2772 -10.1666 -10.1666 -8.6301 -8.6301 -8.6279 -8.6279 2.0114 2.0114 2.0916 2.0916 2.6318 2.6318 2.7920 2.7920 3.0330 3.0330 3.1247 3.1247 4.0868 4.0868 4.1084 4.1084 10.0702 10.0702 10.0747 10.0747 11.2408 11.2408 11.3003 11.3003 k = 0.3514 0.5000 0.2918 ( 5320 PWs) bands (ev): -28.5418 -28.5418 -28.5418 -28.5418 -11.4557 -11.4557 -11.4396 -11.4396 -10.4559 -10.4559 -10.3365 -10.3365 -10.2737 -10.2737 -10.1693 -10.1693 -8.6346 -8.6346 -8.6325 -8.6325 2.0294 2.0294 2.1116 2.1116 2.6237 2.6237 2.7911 2.7911 3.0150 3.0150 3.1111 3.1111 4.0798 4.0798 4.0998 4.0998 10.0808 10.0808 10.0848 10.0848 11.2543 11.2543 11.3109 11.3109 k = 0.3649 0.5000 0.2918 ( 5332 PWs) bands (ev): -28.5416 -28.5416 -28.5416 -28.5416 -11.4553 -11.4553 -11.4403 -11.4403 -10.4525 -10.4525 -10.3415 -10.3415 -10.2692 -10.2692 -10.1722 -10.1722 -8.6388 -8.6388 -8.6368 -8.6368 2.0457 2.0457 2.1283 2.1283 2.6197 2.6197 2.7925 2.7925 2.9970 2.9970 3.0971 3.0971 4.0730 4.0730 4.0914 4.0914 10.0913 10.0913 10.0947 10.0947 11.2633 11.2633 11.3157 11.3157 k = 0.3784 0.5000 0.2918 ( 5336 PWs) bands (ev): -28.5414 -28.5414 -28.5414 -28.5414 -11.4548 -11.4548 -11.4409 -11.4409 -10.4487 -10.4487 -10.3472 -10.3472 -10.2640 -10.2640 -10.1753 -10.1753 -8.6428 -8.6428 -8.6409 -8.6409 2.0604 2.0604 2.1415 2.1415 2.6199 2.6199 2.7957 2.7957 2.9792 2.9792 3.0829 3.0829 4.0666 4.0666 4.0832 4.0832 10.1013 10.1013 10.1044 10.1044 11.2683 11.2683 11.3157 11.3157 k = 0.3919 0.5000 0.2918 ( 5336 PWs) bands (ev): -28.5412 -28.5412 -28.5412 -28.5412 -11.4543 -11.4543 -11.4417 -11.4417 -10.4447 -10.4447 -10.3533 -10.3533 -10.2584 -10.2584 -10.1786 -10.1786 -8.6464 -8.6464 -8.6446 -8.6446 2.0736 2.0736 2.1511 2.1511 2.6243 2.6243 2.8004 2.8004 2.9618 2.9618 3.0683 3.0683 4.0607 4.0607 4.0755 4.0755 10.1109 10.1109 10.1135 10.1135 11.2701 11.2701 11.3120 11.3120 k = 0.4054 0.5000 0.2918 ( 5332 PWs) bands (ev): -28.5411 -28.5411 -28.5411 -28.5411 -11.4537 -11.4537 -11.4425 -11.4425 -10.4404 -10.4404 -10.3595 -10.3595 -10.2526 -10.2526 -10.1822 -10.1822 -8.6496 -8.6496 -8.6480 -8.6480 2.0853 2.0853 2.1574 2.1574 2.6327 2.6327 2.8058 2.8058 2.9454 2.9454 3.0534 3.0534 4.0553 4.0553 4.0683 4.0683 10.1197 10.1197 10.1219 10.1219 11.2696 11.2696 11.3059 11.3059 k = 0.4189 0.5000 0.2918 ( 5324 PWs) bands (ev): -28.5409 -28.5409 -28.5409 -28.5409 -11.4531 -11.4531 -11.4433 -11.4433 -10.4358 -10.4358 -10.3659 -10.3659 -10.2467 -10.2467 -10.1859 -10.1859 -8.6525 -8.6525 -8.6511 -8.6511 2.0959 2.0959 2.1606 2.1606 2.6444 2.6444 2.8105 2.8105 2.9309 2.9309 3.0382 3.0382 4.0505 4.0505 4.0617 4.0617 10.1277 10.1277 10.1296 10.1296 11.2678 11.2678 11.2985 11.2985 k = 0.4324 0.5000 0.2918 ( 5324 PWs) bands (ev): -28.5408 -28.5408 -28.5408 -28.5408 -11.4525 -11.4525 -11.4442 -11.4442 -10.4310 -10.4310 -10.3723 -10.3723 -10.2409 -10.2409 -10.1899 -10.1899 -8.6549 -8.6549 -8.6537 -8.6537 2.1054 2.1054 2.1613 2.1613 2.6591 2.6591 2.8128 2.8128 2.9201 2.9201 3.0229 3.0229 4.0465 4.0465 4.0559 4.0559 10.1348 10.1348 10.1363 10.1363 11.2654 11.2654 11.2907 11.2907 k = 0.4459 0.5000 0.2918 ( 5324 PWs) bands (ev): -28.5407 -28.5407 -28.5407 -28.5407 -11.4518 -11.4518 -11.4451 -11.4451 -10.4259 -10.4259 -10.3787 -10.3787 -10.2350 -10.2350 -10.1941 -10.1941 -8.6569 -8.6569 -8.6559 -8.6559 2.1140 2.1140 2.1600 2.1600 2.6760 2.6760 2.8104 2.8104 2.9149 2.9149 3.0073 3.0073 4.0433 4.0433 4.0508 4.0508 10.1407 10.1407 10.1419 10.1419 11.2631 11.2631 11.2831 11.2831 k = 0.4595 0.5000 0.2918 ( 5324 PWs) bands (ev): -28.5406 -28.5406 -28.5406 -28.5406 -11.4511 -11.4511 -11.4460 -11.4460 -10.4206 -10.4206 -10.3851 -10.3851 -10.2293 -10.2293 -10.1985 -10.1985 -8.6584 -8.6584 -8.6577 -8.6577 2.1219 2.1219 2.1570 2.1570 2.6944 2.6944 2.8021 2.8021 2.9162 2.9162 2.9918 2.9918 4.0409 4.0409 4.0465 4.0465 10.1454 10.1454 10.1463 10.1463 11.2614 11.2614 11.2762 11.2762 k = 0.4730 0.5000 0.2918 ( 5332 PWs) bands (ev): -28.5406 -28.5406 -28.5406 -28.5406 -11.4503 -11.4503 -11.4469 -11.4469 -10.4151 -10.4151 -10.3914 -10.3914 -10.2237 -10.2237 -10.2031 -10.2031 -8.6595 -8.6595 -8.6590 -8.6590 2.1292 2.1292 2.1529 2.1529 2.7138 2.7138 2.7887 2.7887 2.9232 2.9232 2.9763 2.9763 4.0395 4.0395 4.0432 4.0432 10.1489 10.1489 10.1495 10.1495 11.2606 11.2606 11.2704 11.2704 k = 0.4865 0.5000 0.2918 ( 5340 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4495 -11.4495 -11.4478 -11.4478 -10.4094 -10.4094 -10.3975 -10.3975 -10.2183 -10.2183 -10.2080 -10.2080 -8.6601 -8.6601 -8.6599 -8.6599 2.1359 2.1359 2.1479 2.1479 2.7336 2.7336 2.7719 2.7719 2.9339 2.9339 2.9613 2.9613 4.0389 4.0389 4.0408 4.0408 10.1511 10.1511 10.1514 10.1514 11.2610 11.2610 11.2659 11.2659 k = 0.5000 0.5000 0.2918 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4035 -10.4035 -10.4035 -10.4035 -10.2131 -10.2131 -10.2131 -10.2131 -8.6602 -8.6602 -8.6602 -8.6602 2.1422 2.1422 2.1422 2.1422 2.7532 2.7532 2.7532 2.7532 2.9469 2.9469 2.9469 2.9469 4.0394 4.0394 4.0394 4.0394 10.1519 10.1519 10.1519 10.1519 11.2627 11.2627 11.2627 11.2627 k = 0.5000 0.5000 0.2918 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4035 -10.4035 -10.4035 -10.4035 -10.2131 -10.2131 -10.2131 -10.2131 -8.6602 -8.6602 -8.6602 -8.6602 2.1422 2.1422 2.1422 2.1422 2.7532 2.7532 2.7532 2.7532 2.9469 2.9469 2.9469 2.9469 4.0394 4.0394 4.0394 4.0394 10.1519 10.1519 10.1519 10.1519 11.2627 11.2627 11.2627 11.2627 k = 0.4906 0.4906 0.2918 ( 5340 PWs) bands (ev): -28.5406 -28.5406 -28.5405 -28.5405 -11.4495 -11.4495 -11.4478 -11.4478 -10.4093 -10.4093 -10.3976 -10.3976 -10.2182 -10.2182 -10.2081 -10.2081 -8.6601 -8.6601 -8.6599 -8.6599 2.1359 2.1359 2.1479 2.1479 2.7337 2.7337 2.7719 2.7719 2.9340 2.9340 2.9611 2.9611 4.0389 4.0389 4.0408 4.0408 10.1501 10.1501 10.1523 10.1523 11.2609 11.2609 11.2659 11.2659 k = 0.4811 0.4811 0.2918 ( 5340 PWs) bands (ev): -28.5407 -28.5407 -28.5405 -28.5405 -11.4503 -11.4503 -11.4469 -11.4469 -10.4149 -10.4149 -10.3915 -10.3915 -10.2236 -10.2236 -10.2032 -10.2032 -8.6595 -8.6595 -8.6591 -8.6591 2.1290 2.1290 2.1533 2.1533 2.7130 2.7130 2.7898 2.7898 2.9229 2.9229 2.9762 2.9762 4.0392 4.0392 4.0434 4.0434 10.1449 10.1449 10.1536 10.1536 11.2601 11.2601 11.2709 11.2709 k = 0.4717 0.4717 0.2918 ( 5332 PWs) bands (ev): -28.5408 -28.5408 -28.5404 -28.5404 -11.4511 -11.4511 -11.4460 -11.4460 -10.4203 -10.4203 -10.3854 -10.3854 -10.2292 -10.2292 -10.1986 -10.1986 -8.6585 -8.6585 -8.6578 -8.6578 2.1212 2.1212 2.1587 2.1587 2.6907 2.6907 2.8068 2.8068 2.9143 2.9143 2.9918 2.9918 4.0401 4.0401 4.0473 4.0473 10.1364 10.1364 10.1557 10.1557 11.2600 11.2600 11.2779 11.2779 k = 0.4623 0.4623 0.2918 ( 5328 PWs) bands (ev): -28.5411 -28.5411 -28.5403 -28.5403 -11.4518 -11.4518 -11.4450 -11.4450 -10.4255 -10.4255 -10.3792 -10.3792 -10.2349 -10.2349 -10.1942 -10.1942 -8.6569 -8.6569 -8.6562 -8.6562 2.1127 2.1127 2.1643 2.1643 2.6664 2.6664 2.8223 2.8223 2.9090 2.9090 3.0078 3.0078 4.0415 4.0415 4.0525 4.0525 10.1249 10.1249 10.1586 10.1586 11.2608 11.2608 11.2867 11.2867 k = 0.4528 0.4528 0.2918 ( 5324 PWs) bands (ev): -28.5414 -28.5414 -28.5402 -28.5402 -11.4525 -11.4525 -11.4441 -11.4441 -10.4304 -10.4304 -10.3729 -10.3729 -10.2408 -10.2408 -10.1899 -10.1899 -8.6550 -8.6550 -8.6541 -8.6541 2.1035 2.1035 2.1703 2.1703 2.6401 2.6401 2.8352 2.8352 2.9083 2.9083 3.0240 3.0240 4.0433 4.0433 4.0591 4.0591 10.1106 10.1106 10.1620 10.1620 11.2627 11.2627 11.2972 11.2972 k = 0.4434 0.4434 0.2918 ( 5316 PWs) bands (ev): -28.5418 -28.5418 -28.5401 -28.5401 -11.4532 -11.4532 -11.4431 -11.4431 -10.4349 -10.4349 -10.3667 -10.3667 -10.2468 -10.2468 -10.1858 -10.1858 -8.6526 -8.6526 -8.6518 -8.6518 2.0940 2.0940 2.1767 2.1767 2.6115 2.6115 2.8443 2.8443 2.9134 2.9134 3.0404 3.0404 4.0456 4.0456 4.0672 4.0672 10.0941 10.0941 10.1661 10.1661 11.2660 11.2660 11.3087 11.3087 k = 0.4340 0.4340 0.2918 ( 5324 PWs) bands (ev): -28.5422 -28.5422 -28.5399 -28.5399 -11.4539 -11.4539 -11.4420 -11.4420 -10.4392 -10.4392 -10.3605 -10.3605 -10.2529 -10.2529 -10.1819 -10.1819 -8.6500 -8.6500 -8.6490 -8.6490 2.0844 2.0844 2.1836 2.1836 2.5809 2.5809 2.8496 2.8496 2.9240 2.9240 3.0569 3.0569 4.0483 4.0483 4.0766 4.0766 10.0759 10.0759 10.1706 10.1706 11.2711 11.2711 11.3207 11.3207 k = 0.4245 0.4245 0.2918 ( 5336 PWs) bands (ev): -28.5427 -28.5427 -28.5397 -28.5397 -11.4545 -11.4545 -11.4409 -11.4409 -10.4431 -10.4431 -10.3543 -10.3543 -10.2591 -10.2591 -10.1781 -10.1781 -8.6471 -8.6471 -8.6458 -8.6458 2.0750 2.0750 2.1908 2.1908 2.5484 2.5484 2.8526 2.8526 2.9381 2.9381 3.0736 3.0736 4.0513 4.0513 4.0875 4.0875 10.0565 10.0565 10.1754 10.1754 11.2781 11.2781 11.3326 11.3326 k = 0.4151 0.4151 0.2918 ( 5336 PWs) bands (ev): -28.5433 -28.5433 -28.5395 -28.5395 -11.4551 -11.4551 -11.4397 -11.4397 -10.4467 -10.4467 -10.3482 -10.3482 -10.2653 -10.2653 -10.1745 -10.1745 -8.6442 -8.6442 -8.6423 -8.6423 2.0662 2.0662 2.1981 2.1981 2.5145 2.5145 2.8548 2.8548 2.9540 2.9540 3.0903 3.0903 4.0547 4.0547 4.0998 4.0998 10.0365 10.0365 10.1806 10.1806 11.2872 11.2872 11.3440 11.3440 k = 0.4057 0.4057 0.2918 ( 5340 PWs) bands (ev): -28.5439 -28.5439 -28.5393 -28.5393 -11.4557 -11.4557 -11.4384 -11.4384 -10.4498 -10.4498 -10.3422 -10.3422 -10.2716 -10.2716 -10.1710 -10.1710 -8.6413 -8.6413 -8.6384 -8.6384 2.0583 2.0583 2.2049 2.2049 2.4800 2.4800 2.8570 2.8570 2.9704 2.9704 3.1072 3.1072 4.0583 4.0583 4.1134 4.1134 10.0163 10.0163 10.1860 10.1860 11.2982 11.2982 11.3544 11.3544 k = 0.3962 0.3962 0.2918 ( 5326 PWs) bands (ev): -28.5446 -28.5446 -28.5391 -28.5391 -11.4562 -11.4562 -11.4370 -11.4370 -10.4525 -10.4525 -10.3363 -10.3363 -10.2779 -10.2779 -10.1676 -10.1676 -8.6384 -8.6384 -8.6343 -8.6343 2.0516 2.0516 2.2105 2.2105 2.4461 2.4461 2.8596 2.8596 2.9864 2.9864 3.1242 3.1242 4.0623 4.0623 4.1283 4.1283 9.9966 9.9966 10.1916 10.1916 11.3105 11.3105 11.3640 11.3640 k = 0.3868 0.3868 0.2918 ( 5328 PWs) bands (ev): -28.5453 -28.5453 -28.5388 -28.5388 -11.4568 -11.4568 -11.4354 -11.4354 -10.4548 -10.4548 -10.3305 -10.3305 -10.2842 -10.2842 -10.1644 -10.1644 -8.6356 -8.6356 -8.6299 -8.6299 2.0463 2.0463 2.2132 2.2132 2.4146 2.4146 2.8627 2.8627 3.0017 3.0017 3.1413 3.1413 4.0664 4.0664 4.1445 4.1445 9.9777 9.9777 10.1974 10.1974 11.3226 11.3226 11.3738 11.3738 k = 0.3774 0.3774 0.2918 ( 5328 PWs) bands (ev): -28.5461 -28.5461 -28.5385 -28.5385 -11.4573 -11.4573 -11.4338 -11.4338 -10.4567 -10.4567 -10.3248 -10.3248 -10.2903 -10.2903 -10.1613 -10.1613 -8.6329 -8.6329 -8.6254 -8.6254 2.0426 2.0426 2.2103 2.2103 2.3885 2.3885 2.8664 2.8664 3.0159 3.0159 3.1585 3.1585 4.0708 4.0708 4.1619 4.1619 9.9601 9.9601 10.2034 10.2034 11.3317 11.3317 11.3852 11.3852 k = 0.3679 0.3679 0.2918 ( 5324 PWs) bands (ev): -28.5469 -28.5469 -28.5382 -28.5382 -11.4578 -11.4578 -11.4320 -11.4320 -10.4581 -10.4581 -10.3193 -10.3193 -10.2963 -10.2963 -10.1583 -10.1583 -8.6305 -8.6305 -8.6208 -8.6208 2.0407 2.0407 2.1985 2.1985 2.3714 2.3714 2.8707 2.8707 3.0287 3.0287 3.1758 3.1758 4.0752 4.0752 4.1804 4.1804 9.9438 9.9438 10.2096 10.2096 11.3354 11.3354 11.3978 11.3978 k = 0.3585 0.3585 0.2918 ( 5314 PWs) bands (ev): -28.5478 -28.5478 -28.5379 -28.5379 -11.4583 -11.4583 -11.4300 -11.4300 -10.4591 -10.4591 -10.3140 -10.3140 -10.3021 -10.3021 -10.1554 -10.1554 -8.6283 -8.6283 -8.6161 -8.6161 2.0408 2.0408 2.1763 2.1763 2.3651 2.3651 2.8755 2.8755 3.0401 3.0401 3.1931 3.1931 4.0797 4.0797 4.2000 4.2000 9.9292 9.9292 10.2161 10.2161 11.3313 11.3313 11.4010 11.4010 k = 0.3491 0.3491 0.2918 ( 5304 PWs) bands (ev): -28.5487 -28.5487 -28.5376 -28.5376 -11.4589 -11.4589 -11.4278 -11.4278 -10.4596 -10.4596 -10.3108 -10.3108 -10.3058 -10.3058 -10.1527 -10.1527 -8.6266 -8.6266 -8.6115 -8.6115 2.0429 2.0429 2.1455 2.1455 2.3681 2.3681 2.8808 2.8808 3.0499 3.0499 3.2104 3.2104 4.0842 4.0842 4.2207 4.2207 9.9162 9.9162 10.2230 10.2230 11.3047 11.3047 11.3665 11.3665 k = 0.3396 0.3396 0.2918 ( 5304 PWs) bands (ev): -28.5497 -28.5497 -28.5373 -28.5373 -11.4594 -11.4594 -11.4254 -11.4254 -10.4596 -10.4596 -10.3147 -10.3147 -10.3022 -10.3022 -10.1500 -10.1500 -8.6252 -8.6252 -8.6070 -8.6070 2.0470 2.0470 2.1094 2.1094 2.3775 2.3775 2.8865 2.8865 3.0582 3.0582 3.2276 3.2276 4.0887 4.0887 4.2422 4.2422 9.9047 9.9047 10.2304 10.2304 11.2307 11.2307 11.3416 11.3416 k = 0.3302 0.3302 0.2918 ( 5308 PWs) bands (ev): -28.5507 -28.5507 -28.5369 -28.5369 -11.4599 -11.4599 -11.4228 -11.4228 -10.4592 -10.4592 -10.3199 -10.3199 -10.2973 -10.2973 -10.1475 -10.1475 -8.6242 -8.6242 -8.6027 -8.6027 2.0523 2.0523 2.0710 2.0710 2.3912 2.3912 2.8926 2.8926 3.0650 3.0650 3.2445 3.2445 4.0929 4.0929 4.2646 4.2646 9.8947 9.8947 10.2382 10.2382 11.1432 11.1432 11.3107 11.3107 k = 0.3208 0.3208 0.2918 ( 5312 PWs) bands (ev): -28.5517 -28.5517 -28.5365 -28.5365 -11.4604 -11.4604 -11.4199 -11.4199 -10.4583 -10.4583 -10.3251 -10.3251 -10.2922 -10.2922 -10.1451 -10.1451 -8.6238 -8.6238 -8.5986 -8.5986 2.0280 2.0280 2.0629 2.0629 2.4078 2.4078 2.8990 2.8990 3.0706 3.0706 3.2611 3.2611 4.0970 4.0970 4.2878 4.2878 9.8858 9.8858 10.2467 10.2467 11.0550 11.0550 11.2760 11.2760 k = 0.3113 0.3113 0.2918 ( 5310 PWs) bands (ev): -28.5528 -28.5528 -28.5362 -28.5362 -11.4609 -11.4609 -11.4169 -11.4169 -10.4570 -10.4570 -10.3301 -10.3301 -10.2872 -10.2872 -10.1428 -10.1428 -8.6239 -8.6239 -8.5947 -8.5947 1.9872 1.9872 2.0728 2.0728 2.4265 2.4265 2.9056 2.9056 3.0752 3.0752 3.2772 3.2772 4.1007 4.1007 4.3118 4.3118 9.8778 9.8778 10.2559 10.2559 10.9682 10.9682 11.2298 11.2298 k = 0.3019 0.3019 0.2918 ( 5314 PWs) bands (ev): -28.5539 -28.5539 -28.5358 -28.5358 -11.4614 -11.4614 -11.4136 -11.4136 -10.4552 -10.4552 -10.3349 -10.3349 -10.2821 -10.2821 -10.1407 -10.1407 -8.6245 -8.6245 -8.5913 -8.5913 1.9463 1.9463 2.0849 2.0849 2.4470 2.4470 2.9122 2.9122 3.0790 3.0790 3.2927 3.2927 4.1040 4.1040 4.3364 4.3364 9.8703 9.8703 10.2659 10.2659 10.8835 10.8835 11.1559 11.1559 k = 0.2925 0.2925 0.2918 ( 5316 PWs) bands (ev): -28.5550 -28.5550 -28.5354 -28.5354 -11.4618 -11.4618 -11.4102 -11.4102 -10.4529 -10.4529 -10.3395 -10.3395 -10.2771 -10.2771 -10.1387 -10.1387 -8.6257 -8.6257 -8.5883 -8.5883 1.9060 1.9060 2.0987 2.0987 2.4689 2.4689 2.9188 2.9188 3.0826 3.0826 3.3074 3.3074 4.1069 4.1069 4.3616 4.3616 9.8631 9.8631 10.2768 10.2768 10.8012 10.8012 11.0718 11.0718 k = 0.2830 0.2830 0.2918 ( 5314 PWs) bands (ev): -28.5562 -28.5562 -28.5350 -28.5350 -11.4622 -11.4622 -11.4065 -11.4065 -10.4503 -10.4503 -10.3438 -10.3438 -10.2721 -10.2721 -10.1369 -10.1369 -8.6274 -8.6274 -8.5857 -8.5857 1.8668 1.8668 2.1139 2.1139 2.4920 2.4920 2.9252 2.9252 3.0862 3.0862 3.3212 3.3212 4.1091 4.1091 4.3874 4.3874 9.8556 9.8556 10.2885 10.2885 10.7218 10.7218 10.9842 10.9842 k = 0.2736 0.2736 0.2918 ( 5310 PWs) bands (ev): -28.5573 -28.5573 -28.5346 -28.5346 -11.4626 -11.4626 -11.4026 -11.4026 -10.4472 -10.4472 -10.3478 -10.3478 -10.2671 -10.2671 -10.1353 -10.1353 -8.6298 -8.6298 -8.5837 -8.5837 1.8289 1.8289 2.1302 2.1302 2.5163 2.5163 2.9314 2.9314 3.0904 3.0904 3.3340 3.3340 4.1107 4.1107 4.4136 4.4136 9.8477 9.8477 10.3012 10.3012 10.6454 10.6454 10.8941 10.8941 k = 0.2642 0.2642 0.2918 ( 5312 PWs) bands (ev): -28.5585 -28.5585 -28.5342 -28.5342 -11.4630 -11.4630 -11.3985 -11.3985 -10.4436 -10.4436 -10.3516 -10.3516 -10.2620 -10.2620 -10.1338 -10.1338 -8.6327 -8.6327 -8.5823 -8.5823 1.7927 1.7927 2.1473 2.1473 2.5415 2.5415 2.9373 2.9373 3.0957 3.0957 3.3455 3.3455 4.1115 4.1115 4.4403 4.4403 9.8391 9.8391 10.3148 10.3148 10.5723 10.5723 10.8022 10.8022 k = 0.2547 0.2547 0.2918 ( 5316 PWs) bands (ev): -28.5596 -28.5596 -28.5338 -28.5338 -11.4632 -11.4632 -11.3943 -11.3943 -10.4397 -10.4397 -10.3551 -10.3551 -10.2569 -10.2569 -10.1325 -10.1325 -8.6361 -8.6361 -8.5815 -8.5815 1.7583 1.7583 2.1647 2.1647 2.5677 2.5677 2.9429 2.9429 3.1025 3.1025 3.3557 3.3557 4.1115 4.1115 4.4673 4.4673 9.8294 9.8294 10.3294 10.3294 10.5028 10.5028 10.7090 10.7090 k = 0.2453 0.2453 0.2918 ( 5312 PWs) bands (ev): -28.5608 -28.5608 -28.5334 -28.5334 -11.4635 -11.4635 -11.3899 -11.3899 -10.4355 -10.4355 -10.3583 -10.3583 -10.2517 -10.2517 -10.1314 -10.1314 -8.6401 -8.6401 -8.5814 -8.5814 1.7259 1.7259 2.1821 2.1821 2.5948 2.5948 2.9483 2.9483 3.1111 3.1111 3.3645 3.3645 4.1105 4.1105 4.4947 4.4947 9.8184 9.8184 10.3448 10.3448 10.4371 10.4371 10.6148 10.6148 k = 0.2358 0.2358 0.2918 ( 5304 PWs) bands (ev): -28.5620 -28.5620 -28.5330 -28.5330 -11.4636 -11.4636 -11.3853 -11.3853 -10.4308 -10.4308 -10.3613 -10.3613 -10.2465 -10.2465 -10.1304 -10.1304 -8.6446 -8.6446 -8.5819 -8.5819 1.6956 1.6956 2.1988 2.1988 2.6226 2.6226 2.9539 2.9539 3.1217 3.1217 3.3717 3.3717 4.1084 4.1084 4.5223 4.5223 9.8060 9.8060 10.3589 10.3589 10.3772 10.3772 10.5202 10.5202 k = 0.2264 0.2264 0.2918 ( 5318 PWs) bands (ev): -28.5631 -28.5631 -28.5326 -28.5326 -11.4637 -11.4637 -11.3807 -11.3807 -10.4259 -10.4259 -10.3640 -10.3640 -10.2412 -10.2412 -10.1297 -10.1297 -8.6495 -8.6495 -8.5832 -8.5832 1.6676 1.6676 2.2145 2.2145 2.6512 2.6512 2.9600 2.9600 3.1345 3.1345 3.3773 3.3773 4.1053 4.1053 4.5500 4.5500 9.7920 9.7920 10.3159 10.3159 10.3774 10.3774 10.4272 10.4272 k = 0.2170 0.2170 0.2918 ( 5314 PWs) bands (ev): -28.5643 -28.5643 -28.5322 -28.5322 -11.4637 -11.4637 -11.3760 -11.3760 -10.4206 -10.4206 -10.3665 -10.3665 -10.2359 -10.2359 -10.1291 -10.1291 -8.6548 -8.6548 -8.5852 -8.5852 1.6420 1.6420 2.2286 2.2286 2.6802 2.6802 2.9671 2.9671 3.1496 3.1496 3.3812 3.3812 4.1009 4.1009 4.5779 4.5779 9.7761 9.7761 10.2622 10.2622 10.3274 10.3274 10.3996 10.3996 k = 0.2075 0.2075 0.2918 ( 5328 PWs) bands (ev): -28.5654 -28.5654 -28.5318 -28.5318 -11.4636 -11.4636 -11.3712 -11.3712 -10.4150 -10.4150 -10.3687 -10.3687 -10.2305 -10.2305 -10.1286 -10.1286 -8.6605 -8.6605 -8.5879 -8.5879 1.6187 1.6187 2.2408 2.2408 2.7096 2.7096 2.9757 2.9757 3.1668 3.1668 3.3834 3.3834 4.0953 4.0953 4.6057 4.6057 9.7581 9.7581 10.2112 10.2112 10.2358 10.2358 10.3984 10.3984 k = 0.1981 0.1981 0.2918 ( 5320 PWs) bands (ev): -28.5665 -28.5665 -28.5314 -28.5314 -11.4634 -11.4634 -11.3664 -11.3664 -10.4092 -10.4092 -10.3706 -10.3706 -10.2252 -10.2252 -10.1283 -10.1283 -8.6665 -8.6665 -8.5912 -8.5912 1.5978 1.5978 2.2506 2.2506 2.7392 2.7392 2.9860 2.9860 3.1862 3.1862 3.3839 3.3839 4.0884 4.0884 4.6335 4.6335 9.7375 9.7375 10.1381 10.1381 10.1705 10.1705 10.3316 10.3316 k = 0.1887 0.1887 0.2918 ( 5318 PWs) bands (ev): -28.5676 -28.5676 -28.5310 -28.5310 -11.4632 -11.4632 -11.3615 -11.3615 -10.4031 -10.4031 -10.3723 -10.3723 -10.2200 -10.2200 -10.1280 -10.1280 -8.6728 -8.6728 -8.5953 -8.5953 1.5794 1.5794 2.2580 2.2580 2.7686 2.7686 2.9986 2.9986 3.2077 3.2077 3.3828 3.3828 4.0802 4.0802 4.6611 4.6611 9.7140 9.7140 10.0472 10.0472 10.1286 10.1286 10.2642 10.2642 k = 0.1792 0.1792 0.2918 ( 5318 PWs) bands (ev): -28.5687 -28.5687 -28.5306 -28.5306 -11.4628 -11.4628 -11.3567 -11.3567 -10.3968 -10.3968 -10.3738 -10.3738 -10.2150 -10.2150 -10.1277 -10.1277 -8.6792 -8.6792 -8.6001 -8.6001 1.5633 1.5633 2.2628 2.2628 2.7976 2.7976 3.0135 3.0135 3.2313 3.2313 3.3802 3.3802 4.0707 4.0707 4.6883 4.6883 9.6870 9.6870 9.9571 9.9571 10.0918 10.0918 10.2032 10.2032 k = 0.1698 0.1698 0.2918 ( 5326 PWs) bands (ev): -28.5698 -28.5698 -28.5303 -28.5303 -11.4625 -11.4625 -11.3519 -11.3519 -10.3903 -10.3903 -10.3750 -10.3750 -10.2103 -10.2103 -10.1274 -10.1274 -8.6857 -8.6857 -8.6054 -8.6054 1.5496 1.5496 2.2650 2.2650 2.8259 2.8259 3.0308 3.0308 3.2567 3.2567 3.3762 3.3762 4.0598 4.0598 4.7152 4.7152 9.6562 9.6562 9.8688 9.8688 10.0594 10.0594 10.1499 10.1499 k = 0.1604 0.1604 0.2918 ( 5322 PWs) bands (ev): -28.5708 -28.5708 -28.5299 -28.5299 -11.4620 -11.4620 -11.3472 -11.3472 -10.3838 -10.3838 -10.3760 -10.3760 -10.2060 -10.2060 -10.1268 -10.1268 -8.6923 -8.6923 -8.6113 -8.6113 1.5382 1.5382 2.2648 2.2648 2.8531 2.8531 3.0504 3.0504 3.2839 3.2839 3.3709 3.3709 4.0476 4.0476 4.7416 4.7416 9.6214 9.6214 9.7830 9.7830 10.0312 10.0312 10.1048 10.1048 k = 0.1509 0.1509 0.2918 ( 5322 PWs) bands (ev): -28.5717 -28.5717 -28.5296 -28.5296 -11.4615 -11.4615 -11.3426 -11.3426 -10.3783 -10.3783 -10.3755 -10.3755 -10.2024 -10.2024 -10.1258 -10.1258 -8.6989 -8.6989 -8.6177 -8.6177 1.5291 1.5291 2.2625 2.2625 2.8788 2.8788 3.0722 3.0722 3.3126 3.3126 3.3648 3.3648 4.0342 4.0342 4.7673 4.7673 9.5828 9.5828 9.6999 9.6999 10.0069 10.0069 10.0681 10.0681 k = 0.1415 0.1415 0.2918 ( 5316 PWs) bands (ev): -28.5727 -28.5727 -28.5293 -28.5293 -11.4609 -11.4609 -11.3382 -11.3382 -10.3781 -10.3781 -10.3694 -10.3694 -10.1995 -10.1995 -10.1244 -10.1244 -8.7054 -8.7054 -8.6245 -8.6245 1.5219 1.5219 2.2583 2.2583 2.9030 2.9030 3.0958 3.0958 3.3415 3.3415 3.3589 3.3589 4.0195 4.0195 4.7923 4.7923 9.5409 9.5409 9.6199 9.6199 9.9866 9.9866 10.0395 10.0395 k = 0.1321 0.1321 0.2918 ( 5322 PWs) bands (ev): -28.5736 -28.5736 -28.5290 -28.5290 -11.4603 -11.4603 -11.3339 -11.3339 -10.3785 -10.3785 -10.3624 -10.3624 -10.1976 -10.1976 -10.1224 -10.1224 -8.7117 -8.7117 -8.6317 -8.6317 1.5168 1.5168 2.2526 2.2526 2.9253 2.9253 3.1208 3.1208 3.3485 3.3485 3.3755 3.3755 4.0037 4.0037 4.8163 4.8163 9.4968 9.4968 9.5434 9.5434 9.9702 9.9702 10.0180 10.0180 k = 0.1226 0.1226 0.2918 ( 5318 PWs) bands (ev): -28.5744 -28.5744 -28.5287 -28.5287 -11.4597 -11.4597 -11.3297 -11.3297 -10.3789 -10.3789 -10.3552 -10.3552 -10.1968 -10.1968 -10.1197 -10.1197 -8.7179 -8.7179 -8.6391 -8.6391 1.5134 1.5134 2.2457 2.2457 2.9456 2.9456 3.1470 3.1470 3.3416 3.3416 3.4065 3.4065 3.9871 3.9871 4.8394 4.8394 9.4512 9.4512 9.4708 9.4708 9.9575 9.9575 10.0026 10.0026 k = 0.1132 0.1132 0.2918 ( 5312 PWs) bands (ev): -28.5752 -28.5752 -28.5284 -28.5284 -11.4590 -11.4590 -11.3258 -11.3258 -10.3792 -10.3792 -10.3479 -10.3479 -10.1971 -10.1971 -10.1164 -10.1164 -8.7237 -8.7237 -8.6467 -8.6467 1.5116 1.5116 2.2380 2.2380 2.9637 2.9637 3.1738 3.1738 3.3345 3.3345 3.4379 3.4379 3.9697 3.9697 4.8613 4.8613 9.4001 9.4001 9.4079 9.4079 9.9484 9.9484 9.9922 9.9922 k = 0.1038 0.1038 0.2918 ( 5308 PWs) bands (ev): -28.5759 -28.5759 -28.5282 -28.5282 -11.4584 -11.4584 -11.3221 -11.3221 -10.3793 -10.3793 -10.3405 -10.3405 -10.1984 -10.1984 -10.1126 -10.1126 -8.7292 -8.7292 -8.6543 -8.6543 1.5112 1.5112 2.2298 2.2298 2.9794 2.9794 3.2009 3.2009 3.3281 3.3281 3.4686 3.4686 3.9518 3.9518 4.8819 4.8819 9.3367 9.3367 9.3624 9.3624 9.9427 9.9427 9.9861 9.9861 k = 0.0943 0.0943 0.2918 ( 5296 PWs) bands (ev): -28.5766 -28.5766 -28.5279 -28.5279 -11.4577 -11.4577 -11.3186 -11.3186 -10.3794 -10.3794 -10.3330 -10.3330 -10.2007 -10.2007 -10.1084 -10.1084 -8.7344 -8.7344 -8.6618 -8.6618 1.5120 1.5120 2.2213 2.2213 2.9928 2.9928 3.2276 3.2276 3.3233 3.3233 3.4979 3.4979 3.9337 3.9337 4.9012 4.9012 9.2770 9.2770 9.3195 9.3195 9.9399 9.9399 9.9834 9.9834 k = 0.0849 0.0849 0.2918 ( 5304 PWs) bands (ev): -28.5772 -28.5772 -28.5277 -28.5277 -11.4571 -11.4571 -11.3155 -11.3155 -10.3794 -10.3794 -10.3255 -10.3255 -10.2039 -10.2039 -10.1039 -10.1039 -8.7391 -8.7391 -8.6692 -8.6692 1.5137 1.5137 2.2129 2.2129 3.0037 3.0037 3.2529 3.2529 3.3212 3.3212 3.5248 3.5248 3.9160 3.9160 4.9189 4.9189 9.2220 9.2220 9.2791 9.2791 9.9395 9.9395 9.9835 9.9835 k = 0.0755 0.0755 0.2918 ( 5304 PWs) bands (ev): -28.5778 -28.5778 -28.5275 -28.5275 -11.4565 -11.4565 -11.3126 -11.3126 -10.3794 -10.3794 -10.3179 -10.3179 -10.2078 -10.2078 -10.0995 -10.0995 -8.7433 -8.7433 -8.6762 -8.6762 1.5161 1.5161 2.2048 2.2048 3.0121 3.0121 3.2738 3.2738 3.3246 3.3246 3.5485 3.5485 3.8991 3.8991 4.9351 4.9351 9.1721 9.1721 9.2417 9.2417 9.9411 9.9411 9.9857 9.9857 k = 0.0660 0.0660 0.2918 ( 5308 PWs) bands (ev): -28.5783 -28.5783 -28.5274 -28.5274 -11.4559 -11.4559 -11.3100 -11.3100 -10.3793 -10.3793 -10.3104 -10.3104 -10.2124 -10.2124 -10.0952 -10.0952 -8.7471 -8.7471 -8.6828 -8.6828 1.5190 1.5190 2.1971 2.1971 3.0183 3.0183 3.2863 3.2863 3.3375 3.3375 3.5680 3.5680 3.8838 3.8838 4.9497 4.9497 9.1275 9.1275 9.2078 9.2078 9.9443 9.9443 9.9895 9.9895 k = 0.0566 0.0566 0.2918 ( 5304 PWs) bands (ev): -28.5787 -28.5787 -28.5272 -28.5272 -11.4554 -11.4554 -11.3077 -11.3077 -10.3792 -10.3792 -10.3028 -10.3028 -10.2174 -10.2174 -10.0911 -10.0911 -8.7503 -8.7503 -8.6889 -8.6889 1.5221 1.5221 2.1901 2.1901 3.0224 3.0224 3.2914 3.2914 3.3585 3.3585 3.5823 3.5823 3.8707 3.8707 4.9624 4.9624 9.0884 9.0884 9.1776 9.1776 9.9484 9.9484 9.9944 9.9944 k = 0.0472 0.0472 0.2918 ( 5302 PWs) bands (ev): -28.5791 -28.5791 -28.5271 -28.5271 -11.4550 -11.4550 -11.3057 -11.3057 -10.3791 -10.3791 -10.2953 -10.2953 -10.2229 -10.2229 -10.0875 -10.0875 -8.7530 -8.7530 -8.6943 -8.6943 1.5252 1.5252 2.1839 2.1839 3.0249 3.0249 3.2937 3.2937 3.3827 3.3827 3.5907 3.5907 3.8604 3.8604 4.9734 4.9734 9.0550 9.0550 9.1516 9.1516 9.9530 9.9530 9.9997 9.9997 k = 0.0377 0.0377 0.2918 ( 5294 PWs) bands (ev): -28.5794 -28.5794 -28.5270 -28.5270 -11.4546 -11.4546 -11.3041 -11.3041 -10.3790 -10.3790 -10.2878 -10.2878 -10.2288 -10.2288 -10.0843 -10.0843 -8.7552 -8.7552 -8.6990 -8.6990 1.5281 1.5281 2.1787 2.1787 3.0261 3.0261 3.2951 3.2951 3.4071 3.4071 3.5931 3.5931 3.8533 3.8533 4.9824 4.9824 9.0275 9.0275 9.1299 9.1299 9.9576 9.9576 10.0049 10.0049 k = 0.0283 0.0283 0.2918 ( 5294 PWs) bands (ev): -28.5797 -28.5797 -28.5269 -28.5269 -11.4543 -11.4543 -11.3029 -11.3029 -10.3789 -10.3789 -10.2806 -10.2806 -10.2349 -10.2349 -10.0818 -10.0818 -8.7569 -8.7569 -8.7027 -8.7027 1.5305 1.5305 2.1745 2.1745 3.0265 3.0265 3.2962 3.2962 3.4302 3.4302 3.5903 3.5903 3.8490 3.8490 4.9895 4.9895 9.0060 9.0060 9.1129 9.1129 9.9617 9.9617 10.0096 10.0096 k = 0.0189 0.0189 0.2918 ( 5284 PWs) bands (ev): -28.5798 -28.5798 -28.5268 -28.5268 -11.4541 -11.4541 -11.3019 -11.3019 -10.3788 -10.3788 -10.2737 -10.2737 -10.2409 -10.2409 -10.0800 -10.0800 -8.7581 -8.7581 -8.7055 -8.7055 1.5324 1.5324 2.1714 2.1714 3.0265 3.0265 3.2971 3.2971 3.4504 3.4504 3.5840 3.5840 3.8469 3.8469 4.9946 4.9946 8.9905 8.9905 9.1006 9.1006 9.9649 9.9649 10.0132 10.0132 k = 0.0094 0.0094 0.2918 ( 5260 PWs) bands (ev): -28.5799 -28.5799 -28.5268 -28.5268 -11.4539 -11.4539 -11.3014 -11.3014 -10.3787 -10.3787 -10.2677 -10.2677 -10.2464 -10.2464 -10.0788 -10.0788 -8.7588 -8.7588 -8.7071 -8.7071 1.5336 1.5336 2.1696 2.1696 3.0264 3.0264 3.2978 3.2978 3.4651 3.4651 3.5773 3.5773 3.8460 3.8460 4.9977 4.9977 8.9812 8.9812 9.0931 9.0931 9.9670 9.9670 10.0156 10.0156 k = 0.0000 0.0000 0.2918 ( 5264 PWs) bands (ev): -28.5800 -28.5800 -28.5268 -28.5268 -11.4539 -11.4539 -11.3012 -11.3012 -10.3787 -10.3787 -10.2648 -10.2648 -10.2491 -10.2491 -10.0784 -10.0784 -8.7590 -8.7590 -8.7077 -8.7077 1.5340 1.5340 2.1690 2.1690 3.0264 3.0264 3.2980 3.2980 3.4707 3.4707 3.5743 3.5743 3.8458 3.8458 4.9987 4.9987 8.9781 8.9781 9.0907 9.0907 9.9677 9.9677 10.0164 10.0164 k = 0.0000 0.5000-0.0000 ( 5318 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4485 -11.4485 -11.4485 -11.4485 -10.4320 -10.4320 -10.4320 -10.4320 -10.1713 -10.1713 -10.1713 -10.1713 -8.5494 -8.5494 -8.5494 -8.5494 1.8156 1.8156 1.8156 1.8156 2.6863 2.6863 2.6863 2.6863 3.2802 3.2802 3.2802 3.2802 4.6112 4.6112 4.6112 4.6112 9.6793 9.6793 9.6793 9.6793 9.9430 9.9430 9.9430 9.9430 k = 0.0000 0.5000 0.0133 ( 5322 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4485 -11.4485 -11.4485 -11.4485 -10.4321 -10.4321 -10.4321 -10.4321 -10.1712 -10.1712 -10.1712 -10.1712 -8.5494 -8.5494 -8.5494 -8.5494 1.8137 1.8137 1.8137 1.8137 2.6890 2.6890 2.6890 2.6890 3.2803 3.2803 3.2803 3.2803 4.6092 4.6092 4.6092 4.6092 9.6836 9.6836 9.6836 9.6836 9.9444 9.9444 9.9444 9.9444 k = 0.0000 0.5000 0.0265 ( 5322 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4486 -11.4486 -11.4486 -11.4486 -10.4322 -10.4322 -10.4322 -10.4322 -10.1710 -10.1710 -10.1710 -10.1710 -8.5492 -8.5492 -8.5492 -8.5492 1.8081 1.8081 1.8081 1.8081 2.6968 2.6968 2.6968 2.6968 3.2806 3.2806 3.2806 3.2806 4.6031 4.6031 4.6031 4.6031 9.6965 9.6965 9.6965 9.6965 9.9484 9.9484 9.9484 9.9484 k = 0.0000 0.5000 0.0398 ( 5318 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4487 -11.4487 -11.4487 -11.4487 -10.4325 -10.4325 -10.4325 -10.4325 -10.1708 -10.1708 -10.1708 -10.1708 -8.5489 -8.5489 -8.5489 -8.5489 1.7990 1.7990 1.7990 1.7990 2.7096 2.7096 2.7096 2.7096 3.2811 3.2811 3.2811 3.2811 4.5932 4.5932 4.5932 4.5932 9.7177 9.7177 9.7177 9.7177 9.9551 9.9551 9.9551 9.9551 k = 0.0000 0.5000 0.0530 ( 5314 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4489 -11.4489 -11.4489 -11.4489 -10.4328 -10.4328 -10.4328 -10.4328 -10.1704 -10.1704 -10.1704 -10.1704 -8.5484 -8.5484 -8.5484 -8.5484 1.7869 1.7869 1.7869 1.7869 2.7267 2.7267 2.7267 2.7267 3.2820 3.2820 3.2820 3.2820 4.5794 4.5794 4.5794 4.5794 9.7468 9.7468 9.7468 9.7468 9.9644 9.9644 9.9644 9.9644 k = 0.0000 0.5000 0.0663 ( 5320 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4491 -11.4491 -11.4491 -11.4491 -10.4332 -10.4332 -10.4332 -10.4332 -10.1699 -10.1699 -10.1699 -10.1699 -8.5479 -8.5479 -8.5479 -8.5479 1.7723 1.7723 1.7723 1.7723 2.7477 2.7477 2.7477 2.7477 3.2831 3.2831 3.2831 3.2831 4.5622 4.5622 4.5622 4.5622 9.7831 9.7831 9.7831 9.7831 9.9762 9.9762 9.9762 9.9762 k = 0.0000 0.5000 0.0796 ( 5328 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4493 -11.4493 -11.4493 -11.4493 -10.4336 -10.4336 -10.4336 -10.4336 -10.1694 -10.1694 -10.1694 -10.1694 -8.5473 -8.5473 -8.5473 -8.5473 1.7557 1.7557 1.7557 1.7557 2.7720 2.7720 2.7720 2.7720 3.2846 3.2846 3.2846 3.2846 4.5416 4.5416 4.5416 4.5416 9.8256 9.8256 9.8256 9.8256 9.9903 9.9903 9.9903 9.9903 k = 0.0000 0.5000 0.0928 ( 5328 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4496 -11.4496 -11.4496 -11.4496 -10.4341 -10.4341 -10.4341 -10.4341 -10.1688 -10.1688 -10.1688 -10.1688 -8.5466 -8.5466 -8.5466 -8.5466 1.7377 1.7377 1.7377 1.7377 2.7987 2.7987 2.7987 2.7987 3.2865 3.2865 3.2865 3.2865 4.5182 4.5182 4.5182 4.5182 9.8731 9.8731 9.8731 9.8731 10.0066 10.0066 10.0066 10.0066 k = 0.0000 0.5000 0.1061 ( 5344 PWs) bands (ev): -28.5469 -28.5469 -28.5469 -28.5469 -11.4500 -11.4500 -11.4500 -11.4500 -10.4347 -10.4347 -10.4347 -10.4347 -10.1681 -10.1681 -10.1681 -10.1681 -8.5458 -8.5458 -8.5458 -8.5458 1.7188 1.7188 1.7188 1.7188 2.8273 2.8273 2.8273 2.8273 3.2890 3.2890 3.2890 3.2890 4.4921 4.4921 4.4921 4.4921 9.9240 9.9240 9.9240 9.9240 10.0249 10.0249 10.0249 10.0249 k = 0.0000 0.5000 0.1194 ( 5324 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4503 -11.4503 -11.4503 -11.4503 -10.4353 -10.4353 -10.4353 -10.4353 -10.1674 -10.1674 -10.1674 -10.1674 -8.5450 -8.5450 -8.5450 -8.5450 1.6995 1.6995 1.6995 1.6995 2.8571 2.8571 2.8571 2.8571 3.2922 3.2922 3.2922 3.2922 4.4639 4.4639 4.4639 4.4639 9.9760 9.9760 9.9760 9.9760 10.0451 10.0451 10.0451 10.0451 k = 0.0000 0.5000 0.1326 ( 5330 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4507 -11.4507 -11.4507 -11.4507 -10.4359 -10.4359 -10.4359 -10.4359 -10.1666 -10.1666 -10.1666 -10.1666 -8.5441 -8.5441 -8.5441 -8.5441 1.6802 1.6802 1.6802 1.6802 2.8874 2.8874 2.8874 2.8874 3.2962 3.2962 3.2962 3.2962 4.4339 4.4339 4.4339 4.4339 10.0262 10.0262 10.0262 10.0262 10.0672 10.0672 10.0672 10.0672 k = 0.0000 0.5000 0.1459 ( 5338 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4510 -11.4510 -11.4510 -11.4510 -10.4365 -10.4365 -10.4365 -10.4365 -10.1659 -10.1659 -10.1659 -10.1659 -8.5432 -8.5432 -8.5432 -8.5432 1.6613 1.6613 1.6613 1.6613 2.9175 2.9175 2.9175 2.9175 3.3011 3.3011 3.3011 3.3011 4.4026 4.4026 4.4026 4.4026 10.0708 10.0708 10.0708 10.0708 10.0920 10.0920 10.0920 10.0920 k = 0.0000 0.5000 0.1591 ( 5334 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4514 -11.4514 -11.4514 -11.4514 -10.4371 -10.4371 -10.4371 -10.4371 -10.1651 -10.1651 -10.1651 -10.1651 -8.5424 -8.5424 -8.5424 -8.5424 1.6431 1.6431 1.6431 1.6431 2.9468 2.9468 2.9468 2.9468 3.3072 3.3072 3.3072 3.3072 4.3705 4.3705 4.3705 4.3705 10.1044 10.1044 10.1044 10.1044 10.1225 10.1225 10.1225 10.1225 k = 0.0000 0.5000 0.1724 ( 5332 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4518 -11.4518 -11.4518 -11.4518 -10.4377 -10.4377 -10.4377 -10.4377 -10.1644 -10.1644 -10.1644 -10.1644 -8.5415 -8.5415 -8.5415 -8.5415 1.6259 1.6259 1.6259 1.6259 2.9746 2.9746 2.9746 2.9746 3.3145 3.3145 3.3145 3.3145 4.3380 4.3380 4.3380 4.3380 10.1304 10.1304 10.1304 10.1304 10.1540 10.1540 10.1540 10.1540 k = 0.0000 0.5000 0.1857 ( 5318 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4521 -11.4521 -11.4521 -11.4521 -10.4383 -10.4383 -10.4383 -10.4383 -10.1637 -10.1637 -10.1637 -10.1637 -8.5407 -8.5407 -8.5407 -8.5407 1.6100 1.6100 1.6100 1.6100 3.0003 3.0003 3.0003 3.0003 3.3232 3.3232 3.3232 3.3232 4.3059 4.3059 4.3060 4.3060 10.1541 10.1541 10.1541 10.1541 10.1811 10.1811 10.1811 10.1811 k = 0.0000 0.5000 0.1989 ( 5308 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4524 -11.4524 -11.4524 -11.4524 -10.4388 -10.4388 -10.4388 -10.4388 -10.1631 -10.1631 -10.1631 -10.1631 -8.5399 -8.5399 -8.5399 -8.5399 1.5954 1.5954 1.5954 1.5954 3.0233 3.0233 3.0233 3.0233 3.3332 3.3332 3.3332 3.3332 4.2748 4.2748 4.2748 4.2748 10.1765 10.1765 10.1765 10.1765 10.2032 10.2032 10.2032 10.2032 k = 0.0000 0.5000 0.2122 ( 5312 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4527 -11.4527 -11.4527 -11.4527 -10.4393 -10.4393 -10.4393 -10.4393 -10.1625 -10.1625 -10.1625 -10.1625 -8.5392 -8.5392 -8.5392 -8.5392 1.5825 1.5825 1.5825 1.5825 3.0432 3.0432 3.0432 3.0432 3.3442 3.3442 3.3442 3.3442 4.2452 4.2452 4.2452 4.2452 10.1972 10.1972 10.1972 10.1972 10.2212 10.2212 10.2212 10.2212 k = 0.0000 0.5000 0.2255 ( 5304 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4530 -11.4530 -11.4530 -11.4530 -10.4397 -10.4397 -10.4397 -10.4397 -10.1620 -10.1620 -10.1620 -10.1620 -8.5386 -8.5386 -8.5386 -8.5386 1.5713 1.5713 1.5713 1.5713 3.0599 3.0599 3.0599 3.0599 3.3558 3.3558 3.3558 3.3558 4.2181 4.2181 4.2181 4.2181 10.2155 10.2155 10.2155 10.2155 10.2360 10.2360 10.2360 10.2360 k = 0.0000 0.5000 0.2387 ( 5304 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4532 -11.4532 -11.4532 -11.4532 -10.4401 -10.4401 -10.4401 -10.4401 -10.1615 -10.1615 -10.1615 -10.1615 -8.5380 -8.5380 -8.5380 -8.5380 1.5620 1.5620 1.5620 1.5620 3.0732 3.0732 3.0732 3.0732 3.3672 3.3672 3.3672 3.3672 4.1942 4.1942 4.1942 4.1942 10.2308 10.2308 10.2308 10.2308 10.2483 10.2483 10.2483 10.2483 k = 0.0000 0.5000 0.2520 ( 5308 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4533 -11.4533 -11.4533 -11.4533 -10.4404 -10.4404 -10.4404 -10.4404 -10.1612 -10.1612 -10.1612 -10.1612 -8.5376 -8.5376 -8.5376 -8.5376 1.5547 1.5547 1.5547 1.5547 3.0833 3.0833 3.0833 3.0833 3.3776 3.3776 3.3776 3.3776 4.1744 4.1744 4.1744 4.1744 10.2424 10.2424 10.2424 10.2424 10.2585 10.2585 10.2585 10.2585 k = 0.0000 0.5000 0.2652 ( 5310 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4535 -11.4535 -11.4535 -11.4535 -10.4406 -10.4406 -10.4406 -10.4406 -10.1609 -10.1609 -10.1609 -10.1609 -8.5373 -8.5373 -8.5373 -8.5373 1.5494 1.5494 1.5494 1.5494 3.0903 3.0903 3.0903 3.0903 3.3859 3.3859 3.3859 3.3859 4.1595 4.1595 4.1595 4.1595 10.2502 10.2502 10.2502 10.2502 10.2666 10.2666 10.2666 10.2666 k = 0.0000 0.5000 0.2785 ( 5310 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4536 -11.4536 -11.4536 -11.4536 -10.4407 -10.4407 -10.4407 -10.4407 -10.1608 -10.1608 -10.1608 -10.1608 -8.5371 -8.5371 -8.5371 -8.5371 1.5462 1.5462 1.5462 1.5462 3.0945 3.0945 3.0945 3.0945 3.3912 3.3912 3.3912 3.3912 4.1503 4.1503 4.1503 4.1503 10.2546 10.2546 10.2546 10.2546 10.2718 10.2718 10.2718 10.2718 k = 0.0000 0.5000 0.2918 ( 5300 PWs) bands (ev): -28.5468 -28.5468 -28.5468 -28.5468 -11.4536 -11.4536 -11.4536 -11.4536 -10.4407 -10.4407 -10.4407 -10.4407 -10.1607 -10.1607 -10.1607 -10.1607 -8.5371 -8.5371 -8.5371 -8.5371 1.5451 1.5451 1.5451 1.5451 3.0958 3.0958 3.0958 3.0958 3.3931 3.3931 3.3931 3.3931 4.1471 4.1471 4.1471 4.1471 10.2561 10.2561 10.2561 10.2561 10.2736 10.2736 10.2736 10.2736 k = 0.5000 0.5000-0.0000 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.3999 -10.3999 -10.3999 -10.3999 -10.2071 -10.2071 -10.2071 -10.2071 -8.6806 -8.6806 -8.6806 -8.6806 2.1590 2.1590 2.1590 2.1590 2.8454 2.8454 2.8454 2.8454 3.1131 3.1131 3.1131 3.1131 3.8711 3.8711 3.8711 3.8711 8.9548 8.9548 8.9548 8.9548 11.9922 11.9922 11.9922 11.9922 k = 0.5000 0.5000 0.0133 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.4000 -10.4000 -10.4000 -10.4000 -10.2071 -10.2071 -10.2071 -10.2071 -8.6805 -8.6805 -8.6805 -8.6805 2.1589 2.1589 2.1589 2.1589 2.8449 2.8449 2.8449 2.8449 3.1122 3.1122 3.1122 3.1122 3.8721 3.8721 3.8721 3.8721 8.9591 8.9591 8.9591 8.9591 11.9910 11.9910 11.9910 11.9910 k = 0.5000 0.5000 0.0265 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.4000 -10.4000 -10.4000 -10.4000 -10.2072 -10.2072 -10.2072 -10.2072 -8.6802 -8.6802 -8.6802 -8.6802 2.1587 2.1587 2.1587 2.1587 2.8433 2.8433 2.8433 2.8433 3.1093 3.1093 3.1093 3.1093 3.8749 3.8749 3.8749 3.8749 8.9719 8.9719 8.9719 8.9719 11.9874 11.9874 11.9874 11.9874 k = 0.5000 0.5000 0.0398 ( 5336 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4473 -11.4473 -11.4473 -11.4473 -10.4001 -10.4001 -10.4001 -10.4001 -10.2073 -10.2073 -10.2073 -10.2073 -8.6797 -8.6797 -8.6797 -8.6797 2.1583 2.1583 2.1583 2.1583 2.8408 2.8408 2.8408 2.8408 3.1047 3.1047 3.1047 3.1047 3.8795 3.8795 3.8795 3.8795 8.9930 8.9930 8.9930 8.9930 11.9811 11.9811 11.9811 11.9811 k = 0.5000 0.5000 0.0530 ( 5336 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4474 -11.4474 -11.4474 -11.4474 -10.4002 -10.4002 -10.4002 -10.4002 -10.2075 -10.2075 -10.2075 -10.2075 -8.6790 -8.6790 -8.6790 -8.6790 2.1578 2.1578 2.1578 2.1578 2.8374 2.8374 2.8374 2.8374 3.0984 3.0984 3.0984 3.0984 3.8857 3.8857 3.8857 3.8857 9.0223 9.0223 9.0223 9.0223 11.9720 11.9720 11.9720 11.9720 k = 0.5000 0.5000 0.0663 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4474 -11.4474 -11.4474 -11.4474 -10.4004 -10.4004 -10.4004 -10.4004 -10.2078 -10.2078 -10.2078 -10.2078 -8.6781 -8.6781 -8.6781 -8.6781 2.1571 2.1571 2.1571 2.1571 2.8331 2.8331 2.8331 2.8331 3.0907 3.0907 3.0907 3.0907 3.8934 3.8934 3.8934 3.8934 9.0596 9.0596 9.0596 9.0596 11.9595 11.9595 11.9595 11.9595 k = 0.5000 0.5000 0.0796 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4475 -11.4475 -11.4475 -11.4475 -10.4006 -10.4006 -10.4006 -10.4006 -10.2081 -10.2081 -10.2081 -10.2081 -8.6771 -8.6771 -8.6771 -8.6771 2.1564 2.1564 2.1564 2.1564 2.8282 2.8282 2.8282 2.8282 3.0816 3.0816 3.0816 3.0816 3.9025 3.9025 3.9025 3.9025 9.1045 9.1045 9.1045 9.1045 11.9434 11.9434 11.9434 11.9434 k = 0.5000 0.5000 0.0928 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4476 -11.4476 -11.4476 -11.4476 -10.4008 -10.4008 -10.4008 -10.4008 -10.2085 -10.2085 -10.2085 -10.2085 -8.6759 -8.6759 -8.6759 -8.6759 2.1555 2.1555 2.1555 2.1555 2.8226 2.8226 2.8226 2.8226 3.0714 3.0714 3.0714 3.0714 3.9126 3.9126 3.9126 3.9126 9.1565 9.1565 9.1565 9.1565 11.9231 11.9231 11.9231 11.9231 k = 0.5000 0.5000 0.1061 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4477 -11.4477 -11.4477 -11.4477 -10.4010 -10.4010 -10.4010 -10.4010 -10.2088 -10.2088 -10.2088 -10.2088 -8.6746 -8.6746 -8.6746 -8.6746 2.1545 2.1545 2.1545 2.1545 2.8166 2.8166 2.8166 2.8166 3.0605 3.0605 3.0605 3.0605 3.9235 3.9235 3.9235 3.9235 9.2152 9.2152 9.2152 9.2152 11.8981 11.8981 11.8981 11.8981 k = 0.5000 0.5000 0.1194 ( 5336 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4478 -11.4478 -11.4478 -11.4478 -10.4012 -10.4012 -10.4012 -10.4012 -10.2092 -10.2092 -10.2092 -10.2092 -8.6733 -8.6733 -8.6733 -8.6733 2.1534 2.1534 2.1534 2.1534 2.8103 2.8103 2.8103 2.8103 3.0490 3.0490 3.0490 3.0490 3.9351 3.9351 3.9351 3.9351 9.2801 9.2801 9.2801 9.2801 11.8679 11.8679 11.8679 11.8679 k = 0.5000 0.5000 0.1326 ( 5336 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4479 -11.4479 -11.4479 -11.4479 -10.4015 -10.4015 -10.4015 -10.4015 -10.2097 -10.2097 -10.2097 -10.2097 -8.6719 -8.6719 -8.6719 -8.6719 2.1522 2.1522 2.1522 2.1522 2.8038 2.8038 2.8038 2.8038 3.0372 3.0372 3.0372 3.0372 3.9469 3.9469 3.9469 3.9469 9.3505 9.3505 9.3505 9.3505 11.8322 11.8322 11.8322 11.8322 k = 0.5000 0.5000 0.1459 ( 5320 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4480 -11.4480 -11.4480 -11.4480 -10.4017 -10.4017 -10.4017 -10.4017 -10.2101 -10.2101 -10.2101 -10.2101 -8.6704 -8.6704 -8.6704 -8.6704 2.1511 2.1511 2.1511 2.1511 2.7972 2.7972 2.7972 2.7972 3.0253 3.0253 3.0253 3.0253 3.9589 3.9589 3.9589 3.9589 9.4257 9.4257 9.4257 9.4257 11.7910 11.7910 11.7910 11.7910 k = 0.5000 0.5000 0.1591 ( 5316 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4480 -11.4480 -11.4480 -11.4480 -10.4020 -10.4020 -10.4020 -10.4020 -10.2105 -10.2105 -10.2105 -10.2105 -8.6690 -8.6690 -8.6690 -8.6690 2.1499 2.1499 2.1499 2.1499 2.7907 2.7907 2.7907 2.7907 3.0136 3.0136 3.0136 3.0136 3.9707 3.9707 3.9707 3.9707 9.5048 9.5048 9.5048 9.5048 11.7443 11.7443 11.7443 11.7443 k = 0.5000 0.5000 0.1724 ( 5300 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4481 -11.4481 -11.4481 -11.4481 -10.4022 -10.4022 -10.4022 -10.4022 -10.2109 -10.2109 -10.2109 -10.2109 -8.6675 -8.6675 -8.6675 -8.6675 2.1487 2.1487 2.1487 2.1487 2.7845 2.7845 2.7845 2.7845 3.0024 3.0024 3.0024 3.0024 3.9822 3.9822 3.9822 3.9822 9.5870 9.5870 9.5870 9.5870 11.6924 11.6924 11.6924 11.6924 k = 0.5000 0.5000 0.1857 ( 5300 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4482 -11.4482 -11.4482 -11.4482 -10.4025 -10.4025 -10.4025 -10.4025 -10.2113 -10.2113 -10.2113 -10.2113 -8.6662 -8.6662 -8.6662 -8.6662 2.1475 2.1475 2.1475 2.1475 2.7785 2.7785 2.7785 2.7785 2.9917 2.9917 2.9917 2.9917 3.9931 3.9931 3.9931 3.9931 9.6709 9.6709 9.6709 9.6709 11.6362 11.6362 11.6362 11.6362 k = 0.5000 0.5000 0.1989 ( 5308 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4483 -11.4483 -11.4483 -11.4483 -10.4027 -10.4027 -10.4027 -10.4027 -10.2117 -10.2117 -10.2117 -10.2117 -8.6649 -8.6649 -8.6649 -8.6649 2.1464 2.1464 2.1464 2.1464 2.7730 2.7730 2.7730 2.7730 2.9819 2.9819 2.9819 2.9819 4.0031 4.0031 4.0031 4.0031 9.7554 9.7554 9.7554 9.7554 11.5766 11.5766 11.5766 11.5766 k = 0.5000 0.5000 0.2122 ( 5324 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4484 -11.4484 -11.4484 -11.4484 -10.4029 -10.4029 -10.4029 -10.4029 -10.2120 -10.2120 -10.2120 -10.2120 -8.6637 -8.6637 -8.6637 -8.6637 2.1454 2.1454 2.1454 2.1454 2.7681 2.7681 2.7681 2.7681 2.9730 2.9730 2.9730 2.9730 4.0123 4.0123 4.0123 4.0123 9.8386 9.8386 9.8386 9.8386 11.5151 11.5151 11.5151 11.5151 k = 0.5000 0.5000 0.2255 ( 5332 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4485 -11.4485 -11.4485 -11.4485 -10.4031 -10.4031 -10.4031 -10.4031 -10.2123 -10.2123 -10.2123 -10.2123 -8.6627 -8.6627 -8.6627 -8.6627 2.1444 2.1444 2.1444 2.1444 2.7637 2.7637 2.7637 2.7637 2.9653 2.9653 2.9653 2.9653 4.0202 4.0202 4.0202 4.0202 9.9186 9.9186 9.9186 9.9186 11.4537 11.4537 11.4537 11.4537 k = 0.5000 0.5000 0.2387 ( 5340 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4485 -11.4485 -11.4485 -11.4485 -10.4032 -10.4032 -10.4032 -10.4032 -10.2126 -10.2126 -10.2126 -10.2126 -8.6619 -8.6619 -8.6619 -8.6619 2.1437 2.1437 2.1437 2.1437 2.7600 2.7600 2.7600 2.7600 2.9588 2.9588 2.9588 2.9588 4.0270 4.0270 4.0270 4.0270 9.9924 9.9924 9.9924 9.9924 11.3951 11.3951 11.3951 11.3951 k = 0.5000 0.5000 0.2520 ( 5332 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4034 -10.4034 -10.4034 -10.4034 -10.2128 -10.2128 -10.2128 -10.2128 -8.6612 -8.6612 -8.6612 -8.6612 2.1430 2.1430 2.1430 2.1430 2.7571 2.7571 2.7571 2.7571 2.9537 2.9537 2.9537 2.9537 4.0323 4.0323 4.0323 4.0323 10.0568 10.0568 10.0568 10.0568 11.3425 11.3425 11.3425 11.3425 k = 0.5000 0.5000 0.2652 ( 5332 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4035 -10.4035 -10.4035 -10.4035 -10.2129 -10.2129 -10.2129 -10.2129 -8.6607 -8.6607 -8.6607 -8.6607 2.1426 2.1426 2.1426 2.1426 2.7550 2.7550 2.7550 2.7550 2.9500 2.9500 2.9500 2.9500 4.0362 4.0362 4.0362 4.0362 10.1076 10.1076 10.1076 10.1076 11.3002 11.3002 11.3002 11.3002 k = 0.5000 0.5000 0.2785 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4035 -10.4035 -10.4035 -10.4035 -10.2130 -10.2130 -10.2130 -10.2130 -8.6604 -8.6604 -8.6604 -8.6604 2.1423 2.1423 2.1423 2.1423 2.7537 2.7537 2.7537 2.7537 2.9477 2.9477 2.9477 2.9477 4.0386 4.0386 4.0386 4.0386 10.1405 10.1405 10.1405 10.1405 11.2724 11.2724 11.2724 11.2724 k = 0.5000 0.5000 0.2918 ( 5344 PWs) bands (ev): -28.5405 -28.5405 -28.5405 -28.5405 -11.4486 -11.4486 -11.4486 -11.4486 -10.4035 -10.4035 -10.4035 -10.4035 -10.2131 -10.2131 -10.2131 -10.2131 -8.6602 -8.6602 -8.6602 -8.6602 2.1422 2.1422 2.1422 2.1422 2.7532 2.7532 2.7532 2.7532 2.9469 2.9469 2.9469 2.9469 4.0394 4.0394 4.0394 4.0394 10.1519 10.1519 10.1519 10.1519 11.2627 11.2627 11.2627 11.2627 Writing output data file SrHBr.save init_run : 0.22s CPU 0.78s WALL ( 1 calls) electrons : 124.40s CPU 127.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 124.40s CPU 127.70s 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 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 329 calls) cegterg : 114.61s CPU 116.03s WALL ( 400 calls) Called by sum_band: Called by *egterg: h_psi : 59.86s CPU 61.46s WALL ( 7343 calls) s_psi : 2.82s CPU 2.72s WALL ( 7343 calls) g_psi : 0.23s CPU 0.23s WALL ( 6614 calls) cdiaghg : 44.18s CPU 44.19s WALL ( 6943 calls) cegterg:over : 5.28s CPU 5.24s WALL ( 6614 calls) cegterg:upda : 4.96s CPU 5.18s WALL ( 6614 calls) cegterg:last : 2.32s CPU 2.39s WALL ( 1093 calls) cdiaghg:chol : 2.33s CPU 2.47s WALL ( 6943 calls) cdiaghg:inve : 1.42s CPU 1.49s WALL ( 6943 calls) cdiaghg:para : 2.83s CPU 2.57s WALL ( 13886 calls) Called by h_psi: h_psi:vloc : 53.14s CPU 54.44s WALL ( 7343 calls) h_psi:vnl : 6.52s CPU 6.80s WALL ( 7343 calls) add_vuspsi : 3.10s CPU 3.35s WALL ( 7343 calls) General routines calbec : 3.39s CPU 3.43s WALL ( 7343 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.98s CPU 51.26s WALL ( 635556 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.24s WALL ( 658 calls) Parallel routines fft_scatter : 19.02s CPU 19.65s WALL ( 635579 calls) PWSCF : 2m20.22s CPU 2m56.40s WALL This run was terminated on: 16: 6:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=