Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:42 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: ./NbSe2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 21 15 4 1761 1067 168 Max 22 16 5 1776 1092 189 Sum 769 559 163 63567 38871 6387 bravais-lattice index = 14 lattice parameter (alat) = 6.5007 a.u. unit-cell volume = 863.2333 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.500657 celldm(2)= 1.000000 celldm(3)= 3.628488 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 3.628488 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.275597 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) Se 6.00 78.96000 Se( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0094340 0.0054467 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0188679 0.0108934 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0283019 0.0163401 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0377359 0.0217868 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0471698 0.0272335 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0566038 0.0326802 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0660377 0.0381269 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0754717 0.0435736 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0849057 0.0490203 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0943396 0.0544670 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1037736 0.0599137 -0.0000000), wk = 0.0029586 k( 13) = ( 0.1132076 0.0653604 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1226415 0.0708071 -0.0000000), wk = 0.0029586 k( 15) = ( 0.1320755 0.0762538 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1415094 0.0817005 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1509434 0.0871472 -0.0000000), wk = 0.0029586 k( 18) = ( 0.1603774 0.0925939 -0.0000000), wk = 0.0029586 k( 19) = ( 0.1698113 0.0980406 -0.0000000), wk = 0.0029586 k( 20) = ( 0.1792453 0.1034873 -0.0000000), wk = 0.0029586 k( 21) = ( 0.1886792 0.1089340 -0.0000000), wk = 0.0029586 k( 22) = ( 0.1981132 0.1143807 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2075472 0.1198274 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2169811 0.1252741 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2264151 0.1307208 -0.0000000), wk = 0.0029586 k( 26) = ( 0.2358491 0.1361675 -0.0000000), wk = 0.0029586 k( 27) = ( 0.2452830 0.1416142 -0.0000000), wk = 0.0029586 k( 28) = ( 0.2547170 0.1470609 -0.0000000), wk = 0.0029586 k( 29) = ( 0.2641509 0.1525076 -0.0000000), wk = 0.0029586 k( 30) = ( 0.2735849 0.1579543 -0.0000000), wk = 0.0029586 k( 31) = ( 0.2830189 0.1634010 -0.0000000), wk = 0.0029586 k( 32) = ( 0.2924528 0.1688477 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3018868 0.1742944 -0.0000000), wk = 0.0029586 k( 34) = ( 0.3113207 0.1797411 -0.0000000), wk = 0.0029586 k( 35) = ( 0.3207547 0.1851878 -0.0000000), wk = 0.0029586 k( 36) = ( 0.3301887 0.1906345 -0.0000000), wk = 0.0029586 k( 37) = ( 0.3396226 0.1960812 -0.0000000), wk = 0.0029586 k( 38) = ( 0.3490566 0.2015279 -0.0000000), wk = 0.0029586 k( 39) = ( 0.3584906 0.2069746 -0.0000000), wk = 0.0029586 k( 40) = ( 0.3679245 0.2124213 -0.0000000), wk = 0.0029586 k( 41) = ( 0.3773585 0.2178680 -0.0000000), wk = 0.0029586 k( 42) = ( 0.3867925 0.2233147 -0.0000000), wk = 0.0029586 k( 43) = ( 0.3962264 0.2287614 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4056604 0.2342081 -0.0000000), wk = 0.0029586 k( 45) = ( 0.4150943 0.2396548 -0.0000000), wk = 0.0029586 k( 46) = ( 0.4245283 0.2451015 -0.0000000), wk = 0.0029586 k( 47) = ( 0.4339623 0.2505482 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4433962 0.2559949 -0.0000000), wk = 0.0029586 k( 49) = ( 0.4528302 0.2614416 -0.0000000), wk = 0.0029586 k( 50) = ( 0.4622641 0.2668883 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4716981 0.2723350 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4811321 0.2777817 -0.0000000), wk = 0.0029586 k( 53) = ( 0.4905660 0.2832284 -0.0000000), wk = 0.0029586 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 56) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0029586 k( 57) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0029586 k( 58) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0029586 k( 59) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0029586 k( 60) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0029586 k( 61) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0029586 k( 62) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0029586 k( 63) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0029586 k( 64) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0029586 k( 65) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0029586 k( 66) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0029586 k( 67) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0029586 k( 68) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0029586 k( 69) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0029586 k( 70) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0029586 k( 71) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0029586 k( 72) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0029586 k( 73) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0029586 k( 79) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0029586 k( 80) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0029586 k( 81) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0029586 k( 82) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0029586 k( 83) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0029586 k( 84) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0029586 k( 85) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0029586 k( 86) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 88) = ( 0.3278688 0.5678855 -0.0000000), wk = 0.0029586 k( 89) = ( 0.3224044 0.5584207 -0.0000000), wk = 0.0029586 k( 90) = ( 0.3169399 0.5489560 -0.0000000), wk = 0.0029586 k( 91) = ( 0.3114754 0.5394912 -0.0000000), wk = 0.0029586 k( 92) = ( 0.3060109 0.5300265 -0.0000000), wk = 0.0029586 k( 93) = ( 0.3005465 0.5205617 -0.0000000), wk = 0.0029586 k( 94) = ( 0.2950820 0.5110970 -0.0000000), wk = 0.0029586 k( 95) = ( 0.2896175 0.5016322 -0.0000000), wk = 0.0029586 k( 96) = ( 0.2841530 0.4921675 -0.0000000), wk = 0.0029586 k( 97) = ( 0.2786885 0.4827027 -0.0000000), wk = 0.0029586 k( 98) = ( 0.2732240 0.4732379 -0.0000000), wk = 0.0029586 k( 99) = ( 0.2677596 0.4637732 -0.0000000), wk = 0.0029586 k( 100) = ( 0.2622951 0.4543084 -0.0000000), wk = 0.0029586 k( 101) = ( 0.2568306 0.4448436 -0.0000000), wk = 0.0029586 k( 102) = ( 0.2513661 0.4353789 -0.0000000), wk = 0.0029586 k( 103) = ( 0.2459016 0.4259141 -0.0000000), wk = 0.0029586 k( 104) = ( 0.2404372 0.4164494 -0.0000000), wk = 0.0029586 k( 105) = ( 0.2349727 0.4069846 -0.0000000), wk = 0.0029586 k( 106) = ( 0.2295082 0.3975199 -0.0000000), wk = 0.0029586 k( 107) = ( 0.2240437 0.3880551 -0.0000000), wk = 0.0029586 k( 108) = ( 0.2185792 0.3785903 -0.0000000), wk = 0.0029586 k( 109) = ( 0.2131147 0.3691256 -0.0000000), wk = 0.0029586 k( 110) = ( 0.2076503 0.3596608 -0.0000000), wk = 0.0029586 k( 111) = ( 0.2021858 0.3501961 -0.0000000), wk = 0.0029586 k( 112) = ( 0.1967213 0.3407313 -0.0000000), wk = 0.0029586 k( 113) = ( 0.1912568 0.3312665 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1857923 0.3218018 -0.0000000), wk = 0.0029586 k( 115) = ( 0.1803279 0.3123370 -0.0000000), wk = 0.0029586 k( 116) = ( 0.1748634 0.3028723 -0.0000000), wk = 0.0029586 k( 117) = ( 0.1693989 0.2934075 -0.0000000), wk = 0.0029586 k( 118) = ( 0.1639344 0.2839428 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1584699 0.2744780 -0.0000000), wk = 0.0029586 k( 120) = ( 0.1530055 0.2650132 -0.0000000), wk = 0.0029586 k( 121) = ( 0.1475410 0.2555485 -0.0000000), wk = 0.0029586 k( 122) = ( 0.1420765 0.2460837 -0.0000000), wk = 0.0029586 k( 123) = ( 0.1366120 0.2366190 -0.0000000), wk = 0.0029586 k( 124) = ( 0.1311475 0.2271542 -0.0000000), wk = 0.0029586 k( 125) = ( 0.1256831 0.2176894 -0.0000000), wk = 0.0029586 k( 126) = ( 0.1202186 0.2082247 -0.0000000), wk = 0.0029586 k( 127) = ( 0.1147541 0.1987599 -0.0000000), wk = 0.0029586 k( 128) = ( 0.1092896 0.1892952 -0.0000000), wk = 0.0029586 k( 129) = ( 0.1038251 0.1798304 -0.0000000), wk = 0.0029586 k( 130) = ( 0.0983607 0.1703657 -0.0000000), wk = 0.0029586 k( 131) = ( 0.0928962 0.1609009 -0.0000000), wk = 0.0029586 k( 132) = ( 0.0874317 0.1514361 -0.0000000), wk = 0.0029586 k( 133) = ( 0.0819672 0.1419714 -0.0000000), wk = 0.0029586 k( 134) = ( 0.0765027 0.1325066 -0.0000000), wk = 0.0029586 k( 135) = ( 0.0710382 0.1230419 -0.0000000), wk = 0.0029586 k( 136) = ( 0.0655738 0.1135771 -0.0000000), wk = 0.0029586 k( 137) = ( 0.0601093 0.1041123 -0.0000000), wk = 0.0029586 k( 138) = ( 0.0546448 0.0946476 -0.0000000), wk = 0.0029586 k( 139) = ( 0.0491803 0.0851828 -0.0000000), wk = 0.0029586 k( 140) = ( 0.0437159 0.0757181 -0.0000000), wk = 0.0029586 k( 141) = ( 0.0382514 0.0662533 -0.0000000), wk = 0.0029586 k( 142) = ( 0.0327869 0.0567886 -0.0000000), wk = 0.0029586 k( 143) = ( 0.0273224 0.0473238 -0.0000000), wk = 0.0029586 k( 144) = ( 0.0218579 0.0378590 -0.0000000), wk = 0.0029586 k( 145) = ( 0.0163934 0.0283943 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0109290 0.0189295 -0.0000000), wk = 0.0029586 k( 147) = ( 0.0054645 0.0094648 -0.0000000), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.0105999), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.0211998), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.0317996), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0423995), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0529994), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.0635993), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.0741992), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.0847990), wk = 0.0029586 k( 158) = ( 0.0000000 0.0000000 0.0953989), wk = 0.0029586 k( 159) = ( 0.0000000 0.0000000 0.1059988), wk = 0.0029586 k( 160) = ( 0.0000000 0.0000000 0.1165987), wk = 0.0029586 k( 161) = ( 0.0000000 0.0000000 0.1271986), wk = 0.0029586 k( 162) = ( 0.0000000 0.0000000 0.1377984), wk = 0.0029586 k( 163) = ( 0.0000000 0.0000000 0.1377984), wk = 0.0029586 k( 164) = ( 0.0094340 0.0054467 0.1377984), wk = 0.0029586 k( 165) = ( 0.0188679 0.0108934 0.1377984), wk = 0.0029586 k( 166) = ( 0.0283019 0.0163401 0.1377984), wk = 0.0029586 k( 167) = ( 0.0377359 0.0217868 0.1377984), wk = 0.0029586 k( 168) = ( 0.0471698 0.0272335 0.1377984), wk = 0.0029586 k( 169) = ( 0.0566038 0.0326802 0.1377984), wk = 0.0029586 k( 170) = ( 0.0660377 0.0381269 0.1377984), wk = 0.0029586 k( 171) = ( 0.0754717 0.0435736 0.1377984), wk = 0.0029586 k( 172) = ( 0.0849057 0.0490203 0.1377984), wk = 0.0029586 k( 173) = ( 0.0943396 0.0544670 0.1377984), wk = 0.0029586 k( 174) = ( 0.1037736 0.0599137 0.1377984), wk = 0.0029586 k( 175) = ( 0.1132076 0.0653604 0.1377984), wk = 0.0029586 k( 176) = ( 0.1226415 0.0708071 0.1377984), wk = 0.0029586 k( 177) = ( 0.1320755 0.0762538 0.1377984), wk = 0.0029586 k( 178) = ( 0.1415094 0.0817005 0.1377984), wk = 0.0029586 k( 179) = ( 0.1509434 0.0871472 0.1377984), wk = 0.0029586 k( 180) = ( 0.1603774 0.0925939 0.1377984), wk = 0.0029586 k( 181) = ( 0.1698113 0.0980406 0.1377984), wk = 0.0029586 k( 182) = ( 0.1792453 0.1034873 0.1377984), wk = 0.0029586 k( 183) = ( 0.1886792 0.1089340 0.1377984), wk = 0.0029586 k( 184) = ( 0.1981132 0.1143807 0.1377984), wk = 0.0029586 k( 185) = ( 0.2075472 0.1198274 0.1377984), wk = 0.0029586 k( 186) = ( 0.2169811 0.1252741 0.1377984), wk = 0.0029586 k( 187) = ( 0.2264151 0.1307208 0.1377984), wk = 0.0029586 k( 188) = ( 0.2358491 0.1361675 0.1377984), wk = 0.0029586 k( 189) = ( 0.2452830 0.1416142 0.1377984), wk = 0.0029586 k( 190) = ( 0.2547170 0.1470609 0.1377984), wk = 0.0029586 k( 191) = ( 0.2641509 0.1525076 0.1377984), wk = 0.0029586 k( 192) = ( 0.2735849 0.1579543 0.1377984), wk = 0.0029586 k( 193) = ( 0.2830189 0.1634010 0.1377984), wk = 0.0029586 k( 194) = ( 0.2924528 0.1688477 0.1377984), wk = 0.0029586 k( 195) = ( 0.3018868 0.1742944 0.1377984), wk = 0.0029586 k( 196) = ( 0.3113207 0.1797411 0.1377984), wk = 0.0029586 k( 197) = ( 0.3207547 0.1851878 0.1377984), wk = 0.0029586 k( 198) = ( 0.3301887 0.1906345 0.1377984), wk = 0.0029586 k( 199) = ( 0.3396226 0.1960812 0.1377984), wk = 0.0029586 k( 200) = ( 0.3490566 0.2015279 0.1377984), wk = 0.0029586 k( 201) = ( 0.3584906 0.2069746 0.1377984), wk = 0.0029586 k( 202) = ( 0.3679245 0.2124213 0.1377984), wk = 0.0029586 k( 203) = ( 0.3773585 0.2178680 0.1377984), wk = 0.0029586 k( 204) = ( 0.3867925 0.2233147 0.1377984), wk = 0.0029586 k( 205) = ( 0.3962264 0.2287614 0.1377984), wk = 0.0029586 k( 206) = ( 0.4056604 0.2342081 0.1377984), wk = 0.0029586 k( 207) = ( 0.4150943 0.2396548 0.1377984), wk = 0.0029586 k( 208) = ( 0.4245283 0.2451015 0.1377984), wk = 0.0029586 k( 209) = ( 0.4339623 0.2505482 0.1377984), wk = 0.0029586 k( 210) = ( 0.4433962 0.2559949 0.1377984), wk = 0.0029586 k( 211) = ( 0.4528302 0.2614416 0.1377984), wk = 0.0029586 k( 212) = ( 0.4622641 0.2668883 0.1377984), wk = 0.0029586 k( 213) = ( 0.4716981 0.2723350 0.1377984), wk = 0.0029586 k( 214) = ( 0.4811321 0.2777817 0.1377984), wk = 0.0029586 k( 215) = ( 0.4905660 0.2832284 0.1377984), wk = 0.0029586 k( 216) = ( 0.5000000 0.2886751 0.1377984), wk = 0.0029586 k( 217) = ( 0.5000000 0.2886751 0.1377984), wk = 0.0029586 k( 218) = ( 0.4946237 0.2979872 0.1377984), wk = 0.0029586 k( 219) = ( 0.4892473 0.3072993 0.1377984), wk = 0.0029586 k( 220) = ( 0.4838710 0.3166114 0.1377984), wk = 0.0029586 k( 221) = ( 0.4784946 0.3259235 0.1377984), wk = 0.0029586 k( 222) = ( 0.4731183 0.3352356 0.1377984), wk = 0.0029586 k( 223) = ( 0.4677419 0.3445477 0.1377984), wk = 0.0029586 k( 224) = ( 0.4623656 0.3538598 0.1377984), wk = 0.0029586 k( 225) = ( 0.4569893 0.3631720 0.1377984), wk = 0.0029586 k( 226) = ( 0.4516129 0.3724840 0.1377984), wk = 0.0029586 k( 227) = ( 0.4462366 0.3817961 0.1377984), wk = 0.0029586 k( 228) = ( 0.4408602 0.3911082 0.1377984), wk = 0.0029586 k( 229) = ( 0.4354839 0.4004203 0.1377984), wk = 0.0029586 k( 230) = ( 0.4301075 0.4097325 0.1377984), wk = 0.0029586 k( 231) = ( 0.4247312 0.4190445 0.1377984), wk = 0.0029586 k( 232) = ( 0.4193548 0.4283566 0.1377984), wk = 0.0029586 k( 233) = ( 0.4139785 0.4376687 0.1377984), wk = 0.0029586 k( 234) = ( 0.4086021 0.4469809 0.1377984), wk = 0.0029586 k( 235) = ( 0.4032258 0.4562930 0.1377984), wk = 0.0029586 k( 236) = ( 0.3978495 0.4656051 0.1377984), wk = 0.0029586 k( 237) = ( 0.3924731 0.4749172 0.1377984), wk = 0.0029586 k( 238) = ( 0.3870968 0.4842293 0.1377984), wk = 0.0029586 k( 239) = ( 0.3817204 0.4935414 0.1377984), wk = 0.0029586 k( 240) = ( 0.3763441 0.5028535 0.1377984), wk = 0.0029586 k( 241) = ( 0.3709677 0.5121656 0.1377984), wk = 0.0029586 k( 242) = ( 0.3655914 0.5214777 0.1377984), wk = 0.0029586 k( 243) = ( 0.3602150 0.5307898 0.1377984), wk = 0.0029586 k( 244) = ( 0.3548387 0.5401019 0.1377984), wk = 0.0029586 k( 245) = ( 0.3494624 0.5494140 0.1377984), wk = 0.0029586 k( 246) = ( 0.3440860 0.5587261 0.1377984), wk = 0.0029586 k( 247) = ( 0.3387097 0.5680382 0.1377984), wk = 0.0029586 k( 248) = ( 0.3333333 0.5773503 0.1377984), wk = 0.0029586 k( 249) = ( 0.3333333 0.5773503 0.1377984), wk = 0.0029586 k( 250) = ( 0.3278688 0.5678855 0.1377984), wk = 0.0029586 k( 251) = ( 0.3224044 0.5584207 0.1377984), wk = 0.0029586 k( 252) = ( 0.3169399 0.5489560 0.1377984), wk = 0.0029586 k( 253) = ( 0.3114754 0.5394912 0.1377984), wk = 0.0029586 k( 254) = ( 0.3060109 0.5300265 0.1377984), wk = 0.0029586 k( 255) = ( 0.3005465 0.5205617 0.1377984), wk = 0.0029586 k( 256) = ( 0.2950820 0.5110970 0.1377984), wk = 0.0029586 k( 257) = ( 0.2896175 0.5016322 0.1377984), wk = 0.0029586 k( 258) = ( 0.2841530 0.4921675 0.1377984), wk = 0.0029586 k( 259) = ( 0.2786885 0.4827027 0.1377984), wk = 0.0029586 k( 260) = ( 0.2732240 0.4732379 0.1377984), wk = 0.0029586 k( 261) = ( 0.2677596 0.4637732 0.1377984), wk = 0.0029586 k( 262) = ( 0.2622951 0.4543084 0.1377984), wk = 0.0029586 k( 263) = ( 0.2568306 0.4448436 0.1377984), wk = 0.0029586 k( 264) = ( 0.2513661 0.4353789 0.1377984), wk = 0.0029586 k( 265) = ( 0.2459016 0.4259141 0.1377984), wk = 0.0029586 k( 266) = ( 0.2404372 0.4164494 0.1377984), wk = 0.0029586 k( 267) = ( 0.2349727 0.4069846 0.1377984), wk = 0.0029586 k( 268) = ( 0.2295082 0.3975199 0.1377984), wk = 0.0029586 k( 269) = ( 0.2240437 0.3880551 0.1377984), wk = 0.0029586 k( 270) = ( 0.2185792 0.3785903 0.1377984), wk = 0.0029586 k( 271) = ( 0.2131147 0.3691256 0.1377984), wk = 0.0029586 k( 272) = ( 0.2076503 0.3596608 0.1377984), wk = 0.0029586 k( 273) = ( 0.2021858 0.3501961 0.1377984), wk = 0.0029586 k( 274) = ( 0.1967213 0.3407313 0.1377984), wk = 0.0029586 k( 275) = ( 0.1912568 0.3312665 0.1377984), wk = 0.0029586 k( 276) = ( 0.1857923 0.3218018 0.1377984), wk = 0.0029586 k( 277) = ( 0.1803279 0.3123370 0.1377984), wk = 0.0029586 k( 278) = ( 0.1748634 0.3028723 0.1377984), wk = 0.0029586 k( 279) = ( 0.1693989 0.2934075 0.1377984), wk = 0.0029586 k( 280) = ( 0.1639344 0.2839428 0.1377984), wk = 0.0029586 k( 281) = ( 0.1584699 0.2744780 0.1377984), wk = 0.0029586 k( 282) = ( 0.1530055 0.2650132 0.1377984), wk = 0.0029586 k( 283) = ( 0.1475410 0.2555485 0.1377984), wk = 0.0029586 k( 284) = ( 0.1420765 0.2460837 0.1377984), wk = 0.0029586 k( 285) = ( 0.1366120 0.2366190 0.1377984), wk = 0.0029586 k( 286) = ( 0.1311475 0.2271542 0.1377984), wk = 0.0029586 k( 287) = ( 0.1256831 0.2176894 0.1377984), wk = 0.0029586 k( 288) = ( 0.1202186 0.2082247 0.1377984), wk = 0.0029586 k( 289) = ( 0.1147541 0.1987599 0.1377984), wk = 0.0029586 k( 290) = ( 0.1092896 0.1892952 0.1377984), wk = 0.0029586 k( 291) = ( 0.1038251 0.1798304 0.1377984), wk = 0.0029586 k( 292) = ( 0.0983607 0.1703657 0.1377984), wk = 0.0029586 k( 293) = ( 0.0928962 0.1609009 0.1377984), wk = 0.0029586 k( 294) = ( 0.0874317 0.1514361 0.1377984), wk = 0.0029586 k( 295) = ( 0.0819672 0.1419714 0.1377984), wk = 0.0029586 k( 296) = ( 0.0765027 0.1325066 0.1377984), wk = 0.0029586 k( 297) = ( 0.0710382 0.1230419 0.1377984), wk = 0.0029586 k( 298) = ( 0.0655738 0.1135771 0.1377984), wk = 0.0029586 k( 299) = ( 0.0601093 0.1041123 0.1377984), wk = 0.0029586 k( 300) = ( 0.0546448 0.0946476 0.1377984), wk = 0.0029586 k( 301) = ( 0.0491803 0.0851828 0.1377984), wk = 0.0029586 k( 302) = ( 0.0437159 0.0757181 0.1377984), wk = 0.0029586 k( 303) = ( 0.0382514 0.0662533 0.1377984), wk = 0.0029586 k( 304) = ( 0.0327869 0.0567886 0.1377984), wk = 0.0029586 k( 305) = ( 0.0273224 0.0473238 0.1377984), wk = 0.0029586 k( 306) = ( 0.0218579 0.0378590 0.1377984), wk = 0.0029586 k( 307) = ( 0.0163934 0.0283943 0.1377984), wk = 0.0029586 k( 308) = ( 0.0109290 0.0189295 0.1377984), wk = 0.0029586 k( 309) = ( 0.0054645 0.0094648 0.1377984), wk = 0.0029586 k( 310) = ( 0.0000000 0.0000000 0.1377984), wk = 0.0029586 k( 311) = ( 0.5000000 0.2886751 0.1377984), wk = 0.0029586 k( 312) = ( 0.5000000 0.2886751 0.1271986), wk = 0.0029586 k( 313) = ( 0.5000000 0.2886751 0.1165987), wk = 0.0029586 k( 314) = ( 0.5000000 0.2886751 0.1059988), wk = 0.0029586 k( 315) = ( 0.5000000 0.2886751 0.0953989), wk = 0.0029586 k( 316) = ( 0.5000000 0.2886751 0.0847990), wk = 0.0029586 k( 317) = ( 0.5000000 0.2886751 0.0741992), wk = 0.0029586 k( 318) = ( 0.5000000 0.2886751 0.0635993), wk = 0.0029586 k( 319) = ( 0.5000000 0.2886751 0.0529994), wk = 0.0029586 k( 320) = ( 0.5000000 0.2886751 0.0423995), wk = 0.0029586 k( 321) = ( 0.5000000 0.2886751 0.0317996), wk = 0.0029586 k( 322) = ( 0.5000000 0.2886751 0.0211998), wk = 0.0029586 k( 323) = ( 0.5000000 0.2886751 0.0105999), wk = 0.0029586 k( 324) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029586 k( 325) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029586 k( 326) = ( 0.3333333 0.5773503 0.0105999), wk = 0.0029586 k( 327) = ( 0.3333333 0.5773503 0.0211998), wk = 0.0029586 k( 328) = ( 0.3333333 0.5773503 0.0317996), wk = 0.0029586 k( 329) = ( 0.3333333 0.5773503 0.0423995), wk = 0.0029586 k( 330) = ( 0.3333333 0.5773503 0.0529994), wk = 0.0029586 k( 331) = ( 0.3333333 0.5773503 0.0635993), wk = 0.0029586 k( 332) = ( 0.3333333 0.5773503 0.0741992), wk = 0.0029586 k( 333) = ( 0.3333333 0.5773503 0.0847990), wk = 0.0029586 k( 334) = ( 0.3333333 0.5773503 0.0953989), wk = 0.0029586 k( 335) = ( 0.3333333 0.5773503 0.1059988), wk = 0.0029586 k( 336) = ( 0.3333333 0.5773503 0.1165987), wk = 0.0029586 k( 337) = ( 0.3333333 0.5773503 0.1271986), wk = 0.0029586 k( 338) = ( 0.3333333 0.5773503 0.1377984), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0094340 0.0000000 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0188679 0.0000000 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0283019 0.0000000 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0377359 0.0000000 0.0000000), wk = 0.0029586 k( 6) = ( 0.0471698 0.0000000 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0566038 0.0000000 0.0000000), wk = 0.0029586 k( 8) = ( 0.0660377 -0.0000000 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0754717 0.0000000 0.0000000), wk = 0.0029586 k( 10) = ( 0.0849057 0.0000000 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0943396 0.0000000 -0.0000000), wk = 0.0029586 k( 12) = ( 0.1037736 0.0000000 0.0000000), wk = 0.0029586 k( 13) = ( 0.1132076 0.0000000 -0.0000000), wk = 0.0029586 k( 14) = ( 0.1226415 0.0000000 0.0000000), wk = 0.0029586 k( 15) = ( 0.1320755 -0.0000000 -0.0000000), wk = 0.0029586 k( 16) = ( 0.1415094 0.0000000 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1509434 0.0000000 0.0000000), wk = 0.0029586 k( 18) = ( 0.1603774 0.0000000 0.0000000), wk = 0.0029586 k( 19) = ( 0.1698113 0.0000000 -0.0000000), wk = 0.0029586 k( 20) = ( 0.1792453 0.0000000 -0.0000000), wk = 0.0029586 k( 21) = ( 0.1886792 0.0000000 -0.0000000), wk = 0.0029586 k( 22) = ( 0.1981132 0.0000000 0.0000000), wk = 0.0029586 k( 23) = ( 0.2075472 0.0000000 0.0000000), wk = 0.0029586 k( 24) = ( 0.2169811 0.0000000 -0.0000000), wk = 0.0029586 k( 25) = ( 0.2264151 0.0000000 0.0000000), wk = 0.0029586 k( 26) = ( 0.2358491 0.0000000 -0.0000000), wk = 0.0029586 k( 27) = ( 0.2452830 0.0000000 0.0000000), wk = 0.0029586 k( 28) = ( 0.2547170 0.0000000 0.0000000), wk = 0.0029586 k( 29) = ( 0.2641509 -0.0000000 -0.0000000), wk = 0.0029586 k( 30) = ( 0.2735849 0.0000000 0.0000000), wk = 0.0029586 k( 31) = ( 0.2830189 -0.0000000 0.0000000), wk = 0.0029586 k( 32) = ( 0.2924528 0.0000000 0.0000000), wk = 0.0029586 k( 33) = ( 0.3018868 0.0000000 0.0000000), wk = 0.0029586 k( 34) = ( 0.3113207 0.0000000 0.0000000), wk = 0.0029586 k( 35) = ( 0.3207547 0.0000000 0.0000000), wk = 0.0029586 k( 36) = ( 0.3301887 0.0000000 0.0000000), wk = 0.0029586 k( 37) = ( 0.3396226 0.0000000 -0.0000000), wk = 0.0029586 k( 38) = ( 0.3490566 0.0000000 -0.0000000), wk = 0.0029586 k( 39) = ( 0.3584906 0.0000000 -0.0000000), wk = 0.0029586 k( 40) = ( 0.3679245 0.0000000 -0.0000000), wk = 0.0029586 k( 41) = ( 0.3773585 -0.0000000 -0.0000000), wk = 0.0029586 k( 42) = ( 0.3867925 0.0000000 0.0000000), wk = 0.0029586 k( 43) = ( 0.3962264 0.0000000 0.0000000), wk = 0.0029586 k( 44) = ( 0.4056604 0.0000000 -0.0000000), wk = 0.0029586 k( 45) = ( 0.4150943 0.0000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.4245283 0.0000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.4339623 0.0000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.4433962 0.0000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.4528302 0.0000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.4622641 0.0000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.4716981 0.0000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.4811321 0.0000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.4905660 0.0000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.4946237 0.0107527 -0.0000000), wk = 0.0029586 k( 57) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0029586 k( 58) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0029586 k( 59) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0029586 k( 60) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0029586 k( 61) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0029586 k( 62) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0029586 k( 63) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0029586 k( 64) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0029586 k( 65) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0029586 k( 66) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0029586 k( 67) = ( 0.4354839 0.1290323 -0.0000000), wk = 0.0029586 k( 68) = ( 0.4301075 0.1397849 -0.0000000), wk = 0.0029586 k( 69) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0029586 k( 70) = ( 0.4193548 0.1612903 0.0000000), wk = 0.0029586 k( 71) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0029586 k( 72) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0029586 k( 73) = ( 0.4032258 0.1935484 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3978495 0.2043011 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3870968 0.2258064 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3817204 0.2365591 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0029586 k( 79) = ( 0.3709677 0.2580645 -0.0000000), wk = 0.0029586 k( 80) = ( 0.3655914 0.2688172 0.0000000), wk = 0.0029586 k( 81) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0029586 k( 82) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0029586 k( 83) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0029586 k( 84) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0029586 k( 85) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0029586 k( 86) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 88) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0029586 k( 89) = ( 0.3224044 0.3224044 0.0000000), wk = 0.0029586 k( 90) = ( 0.3169399 0.3169399 0.0000000), wk = 0.0029586 k( 91) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0029586 k( 92) = ( 0.3060109 0.3060109 0.0000000), wk = 0.0029586 k( 93) = ( 0.3005465 0.3005465 -0.0000000), wk = 0.0029586 k( 94) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0029586 k( 95) = ( 0.2896175 0.2896175 -0.0000000), wk = 0.0029586 k( 96) = ( 0.2841530 0.2841530 -0.0000000), wk = 0.0029586 k( 97) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0029586 k( 98) = ( 0.2732240 0.2732240 0.0000000), wk = 0.0029586 k( 99) = ( 0.2677596 0.2677596 -0.0000000), wk = 0.0029586 k( 100) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0029586 k( 101) = ( 0.2568306 0.2568306 -0.0000000), wk = 0.0029586 k( 102) = ( 0.2513661 0.2513661 -0.0000000), wk = 0.0029586 k( 103) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0029586 k( 104) = ( 0.2404372 0.2404372 0.0000000), wk = 0.0029586 k( 105) = ( 0.2349727 0.2349727 0.0000000), wk = 0.0029586 k( 106) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0029586 k( 107) = ( 0.2240437 0.2240437 -0.0000000), wk = 0.0029586 k( 108) = ( 0.2185792 0.2185792 -0.0000000), wk = 0.0029586 k( 109) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0029586 k( 110) = ( 0.2076503 0.2076503 0.0000000), wk = 0.0029586 k( 111) = ( 0.2021858 0.2021858 -0.0000000), wk = 0.0029586 k( 112) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0029586 k( 113) = ( 0.1912568 0.1912568 -0.0000000), wk = 0.0029586 k( 114) = ( 0.1857923 0.1857923 0.0000000), wk = 0.0029586 k( 115) = ( 0.1803279 0.1803279 0.0000000), wk = 0.0029586 k( 116) = ( 0.1748634 0.1748634 -0.0000000), wk = 0.0029586 k( 117) = ( 0.1693989 0.1693989 -0.0000000), wk = 0.0029586 k( 118) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0029586 k( 119) = ( 0.1584699 0.1584699 -0.0000000), wk = 0.0029586 k( 120) = ( 0.1530055 0.1530055 -0.0000000), wk = 0.0029586 k( 121) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0029586 k( 122) = ( 0.1420765 0.1420765 0.0000000), wk = 0.0029586 k( 123) = ( 0.1366120 0.1366120 0.0000000), wk = 0.0029586 k( 124) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0029586 k( 125) = ( 0.1256831 0.1256831 -0.0000000), wk = 0.0029586 k( 126) = ( 0.1202186 0.1202186 0.0000000), wk = 0.0029586 k( 127) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0029586 k( 128) = ( 0.1092896 0.1092896 0.0000000), wk = 0.0029586 k( 129) = ( 0.1038251 0.1038251 -0.0000000), wk = 0.0029586 k( 130) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0029586 k( 131) = ( 0.0928962 0.0928962 -0.0000000), wk = 0.0029586 k( 132) = ( 0.0874317 0.0874317 -0.0000000), wk = 0.0029586 k( 133) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0029586 k( 134) = ( 0.0765027 0.0765027 -0.0000000), wk = 0.0029586 k( 135) = ( 0.0710382 0.0710382 0.0000000), wk = 0.0029586 k( 136) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0029586 k( 137) = ( 0.0601093 0.0601093 0.0000000), wk = 0.0029586 k( 138) = ( 0.0546448 0.0546448 0.0000000), wk = 0.0029586 k( 139) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0029586 k( 140) = ( 0.0437159 0.0437159 0.0000000), wk = 0.0029586 k( 141) = ( 0.0382514 0.0382514 -0.0000000), wk = 0.0029586 k( 142) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0029586 k( 143) = ( 0.0273224 0.0273224 -0.0000000), wk = 0.0029586 k( 144) = ( 0.0218579 0.0218579 0.0000000), wk = 0.0029586 k( 145) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0109290 0.0109290 0.0000000), wk = 0.0029586 k( 147) = ( 0.0054645 0.0054645 0.0000000), wk = 0.0029586 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 150) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029586 k( 151) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029586 k( 152) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029586 k( 155) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029586 k( 156) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029586 k( 157) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029586 k( 158) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029586 k( 159) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029586 k( 160) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029586 k( 161) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029586 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 164) = ( 0.0094340 0.0000000 0.5000000), wk = 0.0029586 k( 165) = ( 0.0188679 0.0000000 0.5000000), wk = 0.0029586 k( 166) = ( 0.0283019 0.0000000 0.5000000), wk = 0.0029586 k( 167) = ( 0.0377359 0.0000000 0.5000000), wk = 0.0029586 k( 168) = ( 0.0471698 0.0000000 0.5000000), wk = 0.0029586 k( 169) = ( 0.0566038 0.0000000 0.5000000), wk = 0.0029586 k( 170) = ( 0.0660377 -0.0000000 0.5000000), wk = 0.0029586 k( 171) = ( 0.0754717 0.0000000 0.5000000), wk = 0.0029586 k( 172) = ( 0.0849057 0.0000000 0.5000000), wk = 0.0029586 k( 173) = ( 0.0943396 0.0000000 0.5000000), wk = 0.0029586 k( 174) = ( 0.1037736 0.0000000 0.5000000), wk = 0.0029586 k( 175) = ( 0.1132076 0.0000000 0.5000000), wk = 0.0029586 k( 176) = ( 0.1226415 0.0000000 0.5000000), wk = 0.0029586 k( 177) = ( 0.1320755 -0.0000000 0.5000000), wk = 0.0029586 k( 178) = ( 0.1415094 0.0000000 0.5000000), wk = 0.0029586 k( 179) = ( 0.1509434 0.0000000 0.5000000), wk = 0.0029586 k( 180) = ( 0.1603774 0.0000000 0.5000000), wk = 0.0029586 k( 181) = ( 0.1698113 0.0000000 0.5000000), wk = 0.0029586 k( 182) = ( 0.1792453 0.0000000 0.5000000), wk = 0.0029586 k( 183) = ( 0.1886792 0.0000000 0.5000000), wk = 0.0029586 k( 184) = ( 0.1981132 0.0000000 0.5000000), wk = 0.0029586 k( 185) = ( 0.2075472 0.0000000 0.5000000), wk = 0.0029586 k( 186) = ( 0.2169811 0.0000000 0.5000000), wk = 0.0029586 k( 187) = ( 0.2264151 0.0000000 0.5000000), wk = 0.0029586 k( 188) = ( 0.2358491 0.0000000 0.5000000), wk = 0.0029586 k( 189) = ( 0.2452830 0.0000000 0.5000000), wk = 0.0029586 k( 190) = ( 0.2547170 0.0000000 0.5000000), wk = 0.0029586 k( 191) = ( 0.2641509 -0.0000000 0.5000000), wk = 0.0029586 k( 192) = ( 0.2735849 0.0000000 0.5000000), wk = 0.0029586 k( 193) = ( 0.2830189 -0.0000000 0.5000000), wk = 0.0029586 k( 194) = ( 0.2924528 0.0000000 0.5000000), wk = 0.0029586 k( 195) = ( 0.3018868 0.0000000 0.5000000), wk = 0.0029586 k( 196) = ( 0.3113207 0.0000000 0.5000000), wk = 0.0029586 k( 197) = ( 0.3207547 0.0000000 0.5000000), wk = 0.0029586 k( 198) = ( 0.3301887 0.0000000 0.5000000), wk = 0.0029586 k( 199) = ( 0.3396226 0.0000000 0.5000000), wk = 0.0029586 k( 200) = ( 0.3490566 0.0000000 0.5000000), wk = 0.0029586 k( 201) = ( 0.3584906 0.0000000 0.5000000), wk = 0.0029586 k( 202) = ( 0.3679245 0.0000000 0.5000000), wk = 0.0029586 k( 203) = ( 0.3773585 -0.0000000 0.5000000), wk = 0.0029586 k( 204) = ( 0.3867925 0.0000000 0.5000000), wk = 0.0029586 k( 205) = ( 0.3962264 0.0000000 0.5000000), wk = 0.0029586 k( 206) = ( 0.4056604 0.0000000 0.5000000), wk = 0.0029586 k( 207) = ( 0.4150943 0.0000000 0.5000000), wk = 0.0029586 k( 208) = ( 0.4245283 0.0000000 0.5000000), wk = 0.0029586 k( 209) = ( 0.4339623 0.0000000 0.5000000), wk = 0.0029586 k( 210) = ( 0.4433962 0.0000000 0.5000000), wk = 0.0029586 k( 211) = ( 0.4528302 0.0000000 0.5000000), wk = 0.0029586 k( 212) = ( 0.4622641 0.0000000 0.5000000), wk = 0.0029586 k( 213) = ( 0.4716981 0.0000000 0.5000000), wk = 0.0029586 k( 214) = ( 0.4811321 0.0000000 0.5000000), wk = 0.0029586 k( 215) = ( 0.4905660 0.0000000 0.5000000), wk = 0.0029586 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 218) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0029586 k( 219) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0029586 k( 220) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0029586 k( 221) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0029586 k( 222) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0029586 k( 223) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0029586 k( 224) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0029586 k( 225) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0029586 k( 226) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0029586 k( 227) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0029586 k( 228) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0029586 k( 229) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0029586 k( 230) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0029586 k( 231) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0029586 k( 232) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0029586 k( 233) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0029586 k( 234) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0029586 k( 235) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0029586 k( 236) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0029586 k( 237) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0029586 k( 238) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0029586 k( 239) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0029586 k( 240) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0029586 k( 241) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0029586 k( 242) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0029586 k( 243) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0029586 k( 244) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0029586 k( 245) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0029586 k( 246) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0029586 k( 247) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0029586 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 249) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 k( 250) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0029586 k( 251) = ( 0.3224044 0.3224044 0.5000000), wk = 0.0029586 k( 252) = ( 0.3169399 0.3169399 0.5000000), wk = 0.0029586 k( 253) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0029586 k( 254) = ( 0.3060109 0.3060109 0.5000000), wk = 0.0029586 k( 255) = ( 0.3005465 0.3005465 0.5000000), wk = 0.0029586 k( 256) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0029586 k( 257) = ( 0.2896175 0.2896175 0.5000000), wk = 0.0029586 k( 258) = ( 0.2841530 0.2841530 0.5000000), wk = 0.0029586 k( 259) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0029586 k( 260) = ( 0.2732240 0.2732240 0.5000000), wk = 0.0029586 k( 261) = ( 0.2677596 0.2677596 0.5000000), wk = 0.0029586 k( 262) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0029586 k( 263) = ( 0.2568306 0.2568306 0.5000000), wk = 0.0029586 k( 264) = ( 0.2513661 0.2513661 0.5000000), wk = 0.0029586 k( 265) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0029586 k( 266) = ( 0.2404372 0.2404372 0.5000000), wk = 0.0029586 k( 267) = ( 0.2349727 0.2349727 0.5000000), wk = 0.0029586 k( 268) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0029586 k( 269) = ( 0.2240437 0.2240437 0.5000000), wk = 0.0029586 k( 270) = ( 0.2185792 0.2185792 0.5000000), wk = 0.0029586 k( 271) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0029586 k( 272) = ( 0.2076503 0.2076503 0.5000000), wk = 0.0029586 k( 273) = ( 0.2021858 0.2021858 0.5000000), wk = 0.0029586 k( 274) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0029586 k( 275) = ( 0.1912568 0.1912568 0.5000000), wk = 0.0029586 k( 276) = ( 0.1857923 0.1857923 0.5000000), wk = 0.0029586 k( 277) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0029586 k( 278) = ( 0.1748634 0.1748634 0.5000000), wk = 0.0029586 k( 279) = ( 0.1693989 0.1693989 0.5000000), wk = 0.0029586 k( 280) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0029586 k( 281) = ( 0.1584699 0.1584699 0.5000000), wk = 0.0029586 k( 282) = ( 0.1530055 0.1530055 0.5000000), wk = 0.0029586 k( 283) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0029586 k( 284) = ( 0.1420765 0.1420765 0.5000000), wk = 0.0029586 k( 285) = ( 0.1366120 0.1366120 0.5000000), wk = 0.0029586 k( 286) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0029586 k( 287) = ( 0.1256831 0.1256831 0.5000000), wk = 0.0029586 k( 288) = ( 0.1202186 0.1202186 0.5000000), wk = 0.0029586 k( 289) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0029586 k( 290) = ( 0.1092896 0.1092896 0.5000000), wk = 0.0029586 k( 291) = ( 0.1038251 0.1038251 0.5000000), wk = 0.0029586 k( 292) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0029586 k( 293) = ( 0.0928962 0.0928962 0.5000000), wk = 0.0029586 k( 294) = ( 0.0874317 0.0874317 0.5000000), wk = 0.0029586 k( 295) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0029586 k( 296) = ( 0.0765027 0.0765027 0.5000000), wk = 0.0029586 k( 297) = ( 0.0710382 0.0710382 0.5000000), wk = 0.0029586 k( 298) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0029586 k( 299) = ( 0.0601093 0.0601093 0.5000000), wk = 0.0029586 k( 300) = ( 0.0546448 0.0546448 0.5000000), wk = 0.0029586 k( 301) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0029586 k( 302) = ( 0.0437159 0.0437159 0.5000000), wk = 0.0029586 k( 303) = ( 0.0382514 0.0382514 0.5000000), wk = 0.0029586 k( 304) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0029586 k( 305) = ( 0.0273224 0.0273224 0.5000000), wk = 0.0029586 k( 306) = ( 0.0218579 0.0218579 0.5000000), wk = 0.0029586 k( 307) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0029586 k( 308) = ( 0.0109290 0.0109290 0.5000000), wk = 0.0029586 k( 309) = ( 0.0054645 0.0054645 0.5000000), wk = 0.0029586 k( 310) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 311) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 312) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0029586 k( 313) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0029586 k( 314) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0029586 k( 315) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0029586 k( 316) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0029586 k( 317) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0029586 k( 318) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0029586 k( 319) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0029586 k( 320) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0029586 k( 321) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0029586 k( 322) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0029586 k( 323) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0029586 k( 324) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029586 k( 325) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029586 k( 326) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0029586 k( 327) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0029586 k( 328) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0029586 k( 329) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0029586 k( 330) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0029586 k( 331) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0029586 k( 332) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0029586 k( 333) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0029586 k( 334) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0029586 k( 335) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0029586 k( 336) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0029586 k( 337) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0029586 k( 338) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029586 Dense grid: 63567 G-vectors FFT dimensions: ( 36, 36, 125) Smooth grid: 38871 G-vectors FFT dimensions: ( 30, 30, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 272, 60) NL pseudopotentials 0.26 Mb ( 136, 124) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1763) G-vector shells 0.01 Mb ( 892) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 272, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.23 Mb ( 124, 2, 60) The potential is recalculated from file : ./NbSe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.2 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 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 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.1 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 12.0 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.8 secs Computing kpt #: 25 total cpu time spent up to now is 14.3 secs Computing kpt #: 26 total cpu time spent up to now is 14.7 secs Computing kpt #: 27 total cpu time spent up to now is 15.2 secs Computing kpt #: 28 total cpu time spent up to now is 15.7 secs Computing kpt #: 29 total cpu time spent up to now is 16.1 secs Computing kpt #: 30 total cpu time spent up to now is 16.6 secs Computing kpt #: 31 total cpu time spent up to now is 17.1 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.2 secs Computing kpt #: 36 total cpu time spent up to now is 19.8 secs Computing kpt #: 37 total cpu time spent up to now is 20.4 secs Computing kpt #: 38 total cpu time spent up to now is 20.9 secs Computing kpt #: 39 total cpu time spent up to now is 21.5 secs Computing kpt #: 40 total cpu time spent up to now is 22.1 secs Computing kpt #: 41 total cpu time spent up to now is 22.7 secs Computing kpt #: 42 total cpu time spent up to now is 23.3 secs Computing kpt #: 43 total cpu time spent up to now is 23.8 secs Computing kpt #: 44 total cpu time spent up to now is 24.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.0 secs Computing kpt #: 46 total cpu time spent up to now is 25.6 secs Computing kpt #: 47 total cpu time spent up to now is 26.1 secs Computing kpt #: 48 total cpu time spent up to now is 26.7 secs Computing kpt #: 49 total cpu time spent up to now is 27.2 secs Computing kpt #: 50 total cpu time spent up to now is 27.8 secs Computing kpt #: 51 total cpu time spent up to now is 28.3 secs Computing kpt #: 52 total cpu time spent up to now is 28.8 secs Computing kpt #: 53 total cpu time spent up to now is 29.3 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.2 secs Computing kpt #: 56 total cpu time spent up to now is 30.7 secs Computing kpt #: 57 total cpu time spent up to now is 31.2 secs Computing kpt #: 58 total cpu time spent up to now is 31.7 secs Computing kpt #: 59 total cpu time spent up to now is 32.2 secs Computing kpt #: 60 total cpu time spent up to now is 32.7 secs Computing kpt #: 61 total cpu time spent up to now is 33.1 secs Computing kpt #: 62 total cpu time spent up to now is 33.6 secs Computing kpt #: 63 total cpu time spent up to now is 34.1 secs Computing kpt #: 64 total cpu time spent up to now is 34.6 secs Computing kpt #: 65 total cpu time spent up to now is 35.1 secs Computing kpt #: 66 total cpu time spent up to now is 35.7 secs Computing kpt #: 67 total cpu time spent up to now is 36.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.1 secs Computing kpt #: 69 total cpu time spent up to now is 37.8 secs Computing kpt #: 70 total cpu time spent up to now is 38.4 secs Computing kpt #: 71 total cpu time spent up to now is 39.1 secs Computing kpt #: 72 total cpu time spent up to now is 39.7 secs Computing kpt #: 73 total cpu time spent up to now is 40.3 secs Computing kpt #: 74 total cpu time spent up to now is 40.9 secs Computing kpt #: 75 total cpu time spent up to now is 41.5 secs Computing kpt #: 76 total cpu time spent up to now is 42.1 secs Computing kpt #: 77 total cpu time spent up to now is 42.6 secs Computing kpt #: 78 total cpu time spent up to now is 43.2 secs Computing kpt #: 79 total cpu time spent up to now is 43.8 secs Computing kpt #: 80 total cpu time spent up to now is 44.4 secs Computing kpt #: 81 total cpu time spent up to now is 45.0 secs Computing kpt #: 82 total cpu time spent up to now is 45.5 secs Computing kpt #: 83 total cpu time spent up to now is 46.1 secs Computing kpt #: 84 total cpu time spent up to now is 46.7 secs Computing kpt #: 85 total cpu time spent up to now is 47.3 secs Computing kpt #: 86 total cpu time spent up to now is 47.9 secs Computing kpt #: 87 total cpu time spent up to now is 48.4 secs Computing kpt #: 88 total cpu time spent up to now is 49.0 secs Computing kpt #: 89 total cpu time spent up to now is 49.6 secs Computing kpt #: 90 total cpu time spent up to now is 50.2 secs Computing kpt #: 91 total cpu time spent up to now is 50.7 secs Computing kpt #: 92 total cpu time spent up to now is 51.3 secs Computing kpt #: 93 total cpu time spent up to now is 51.9 secs Computing kpt #: 94 total cpu time spent up to now is 52.4 secs Computing kpt #: 95 total cpu time spent up to now is 52.8 secs Computing kpt #: 96 total cpu time spent up to now is 53.3 secs Computing kpt #: 97 total cpu time spent up to now is 53.8 secs Computing kpt #: 98 total cpu time spent up to now is 54.3 secs Computing kpt #: 99 total cpu time spent up to now is 54.8 secs Computing kpt #: 100 total cpu time spent up to now is 55.3 secs Computing kpt #: 101 total cpu time spent up to now is 55.9 secs Computing kpt #: 102 total cpu time spent up to now is 56.5 secs Computing kpt #: 103 total cpu time spent up to now is 57.0 secs Computing kpt #: 104 total cpu time spent up to now is 57.6 secs Computing kpt #: 105 total cpu time spent up to now is 58.2 secs Computing kpt #: 106 total cpu time spent up to now is 58.8 secs Computing kpt #: 107 total cpu time spent up to now is 59.3 secs Computing kpt #: 108 total cpu time spent up to now is 59.9 secs Computing kpt #: 109 total cpu time spent up to now is 60.5 secs Computing kpt #: 110 total cpu time spent up to now is 61.0 secs Computing kpt #: 111 total cpu time spent up to now is 61.5 secs Computing kpt #: 112 total cpu time spent up to now is 62.0 secs Computing kpt #: 113 total cpu time spent up to now is 62.5 secs Computing kpt #: 114 total cpu time spent up to now is 63.0 secs Computing kpt #: 115 total cpu time spent up to now is 63.5 secs Computing kpt #: 116 total cpu time spent up to now is 63.9 secs Computing kpt #: 117 total cpu time spent up to now is 64.4 secs Computing kpt #: 118 total cpu time spent up to now is 64.9 secs Computing kpt #: 119 total cpu time spent up to now is 65.3 secs Computing kpt #: 120 total cpu time spent up to now is 65.8 secs Computing kpt #: 121 total cpu time spent up to now is 66.3 secs Computing kpt #: 122 total cpu time spent up to now is 66.7 secs Computing kpt #: 123 total cpu time spent up to now is 67.2 secs Computing kpt #: 124 total cpu time spent up to now is 67.6 secs Computing kpt #: 125 total cpu time spent up to now is 68.1 secs Computing kpt #: 126 total cpu time spent up to now is 68.5 secs Computing kpt #: 127 total cpu time spent up to now is 69.0 secs Computing kpt #: 128 total cpu time spent up to now is 69.5 secs Computing kpt #: 129 total cpu time spent up to now is 69.9 secs Computing kpt #: 130 total cpu time spent up to now is 70.4 secs Computing kpt #: 131 total cpu time spent up to now is 70.9 secs Computing kpt #: 132 total cpu time spent up to now is 71.4 secs Computing kpt #: 133 total cpu time spent up to now is 72.2 secs Computing kpt #: 134 total cpu time spent up to now is 72.7 secs Computing kpt #: 135 total cpu time spent up to now is 73.3 secs Computing kpt #: 136 total cpu time spent up to now is 73.8 secs Computing kpt #: 137 total cpu time spent up to now is 74.3 secs Computing kpt #: 138 total cpu time spent up to now is 74.8 secs Computing kpt #: 139 total cpu time spent up to now is 75.3 secs Computing kpt #: 140 total cpu time spent up to now is 75.7 secs Computing kpt #: 141 total cpu time spent up to now is 76.2 secs Computing kpt #: 142 total cpu time spent up to now is 76.8 secs Computing kpt #: 143 total cpu time spent up to now is 77.3 secs Computing kpt #: 144 total cpu time spent up to now is 77.8 secs Computing kpt #: 145 total cpu time spent up to now is 78.4 secs Computing kpt #: 146 total cpu time spent up to now is 78.9 secs Computing kpt #: 147 total cpu time spent up to now is 79.4 secs Computing kpt #: 148 total cpu time spent up to now is 79.9 secs Computing kpt #: 149 total cpu time spent up to now is 80.4 secs Computing kpt #: 150 total cpu time spent up to now is 80.9 secs Computing kpt #: 151 total cpu time spent up to now is 81.5 secs Computing kpt #: 152 total cpu time spent up to now is 82.0 secs Computing kpt #: 153 total cpu time spent up to now is 82.6 secs Computing kpt #: 154 total cpu time spent up to now is 83.1 secs Computing kpt #: 155 total cpu time spent up to now is 83.6 secs Computing kpt #: 156 total cpu time spent up to now is 84.1 secs Computing kpt #: 157 total cpu time spent up to now is 84.6 secs Computing kpt #: 158 total cpu time spent up to now is 85.1 secs Computing kpt #: 159 total cpu time spent up to now is 85.5 secs Computing kpt #: 160 total cpu time spent up to now is 86.0 secs Computing kpt #: 161 total cpu time spent up to now is 86.5 secs Computing kpt #: 162 total cpu time spent up to now is 87.0 secs Computing kpt #: 163 total cpu time spent up to now is 87.5 secs Computing kpt #: 164 total cpu time spent up to now is 87.9 secs Computing kpt #: 165 total cpu time spent up to now is 88.4 secs Computing kpt #: 166 total cpu time spent up to now is 88.9 secs Computing kpt #: 167 total cpu time spent up to now is 89.4 secs Computing kpt #: 168 total cpu time spent up to now is 89.9 secs Computing kpt #: 169 total cpu time spent up to now is 90.4 secs Computing kpt #: 170 total cpu time spent up to now is 90.9 secs Computing kpt #: 171 total cpu time spent up to now is 91.4 secs Computing kpt #: 172 total cpu time spent up to now is 91.9 secs Computing kpt #: 173 total cpu time spent up to now is 92.4 secs Computing kpt #: 174 total cpu time spent up to now is 92.9 secs Computing kpt #: 175 total cpu time spent up to now is 93.3 secs Computing kpt #: 176 total cpu time spent up to now is 93.8 secs Computing kpt #: 177 total cpu time spent up to now is 94.3 secs Computing kpt #: 178 total cpu time spent up to now is 94.8 secs Computing kpt #: 179 total cpu time spent up to now is 95.2 secs Computing kpt #: 180 total cpu time spent up to now is 95.7 secs Computing kpt #: 181 total cpu time spent up to now is 96.2 secs Computing kpt #: 182 total cpu time spent up to now is 96.6 secs Computing kpt #: 183 total cpu time spent up to now is 97.1 secs Computing kpt #: 184 total cpu time spent up to now is 97.5 secs Computing kpt #: 185 total cpu time spent up to now is 98.0 secs Computing kpt #: 186 total cpu time spent up to now is 98.4 secs Computing kpt #: 187 total cpu time spent up to now is 98.8 secs Computing kpt #: 188 total cpu time spent up to now is 99.3 secs Computing kpt #: 189 total cpu time spent up to now is 99.7 secs Computing kpt #: 190 total cpu time spent up to now is 100.2 secs Computing kpt #: 191 total cpu time spent up to now is 100.6 secs Computing kpt #: 192 total cpu time spent up to now is 101.1 secs Computing kpt #: 193 total cpu time spent up to now is 101.5 secs Computing kpt #: 194 total cpu time spent up to now is 102.0 secs Computing kpt #: 195 total cpu time spent up to now is 102.4 secs Computing kpt #: 196 total cpu time spent up to now is 102.9 secs Computing kpt #: 197 total cpu time spent up to now is 103.3 secs Computing kpt #: 198 total cpu time spent up to now is 103.8 secs Computing kpt #: 199 total cpu time spent up to now is 104.2 secs Computing kpt #: 200 total cpu time spent up to now is 104.7 secs Computing kpt #: 201 total cpu time spent up to now is 105.1 secs Computing kpt #: 202 total cpu time spent up to now is 105.6 secs Computing kpt #: 203 total cpu time spent up to now is 106.0 secs Computing kpt #: 204 total cpu time spent up to now is 106.5 secs Computing kpt #: 205 total cpu time spent up to now is 107.4 secs Computing kpt #: 206 total cpu time spent up to now is 107.9 secs Computing kpt #: 207 total cpu time spent up to now is 108.3 secs Computing kpt #: 208 total cpu time spent up to now is 108.8 secs Computing kpt #: 209 total cpu time spent up to now is 109.3 secs Computing kpt #: 210 total cpu time spent up to now is 109.7 secs Computing kpt #: 211 total cpu time spent up to now is 110.2 secs Computing kpt #: 212 total cpu time spent up to now is 110.7 secs Computing kpt #: 213 total cpu time spent up to now is 111.1 secs Computing kpt #: 214 total cpu time spent up to now is 111.6 secs Computing kpt #: 215 total cpu time spent up to now is 112.1 secs Computing kpt #: 216 total cpu time spent up to now is 112.6 secs Computing kpt #: 217 total cpu time spent up to now is 113.0 secs Computing kpt #: 218 total cpu time spent up to now is 113.5 secs Computing kpt #: 219 total cpu time spent up to now is 114.0 secs Computing kpt #: 220 total cpu time spent up to now is 114.5 secs Computing kpt #: 221 total cpu time spent up to now is 114.9 secs Computing kpt #: 222 total cpu time spent up to now is 115.4 secs Computing kpt #: 223 total cpu time spent up to now is 115.9 secs Computing kpt #: 224 total cpu time spent up to now is 116.4 secs Computing kpt #: 225 total cpu time spent up to now is 116.9 secs Computing kpt #: 226 total cpu time spent up to now is 117.4 secs Computing kpt #: 227 total cpu time spent up to now is 117.9 secs Computing kpt #: 228 total cpu time spent up to now is 118.3 secs Computing kpt #: 229 total cpu time spent up to now is 118.8 secs Computing kpt #: 230 total cpu time spent up to now is 119.3 secs Computing kpt #: 231 total cpu time spent up to now is 119.7 secs Computing kpt #: 232 total cpu time spent up to now is 120.2 secs Computing kpt #: 233 total cpu time spent up to now is 120.7 secs Computing kpt #: 234 total cpu time spent up to now is 121.1 secs Computing kpt #: 235 total cpu time spent up to now is 121.6 secs Computing kpt #: 236 total cpu time spent up to now is 122.1 secs Computing kpt #: 237 total cpu time spent up to now is 122.5 secs Computing kpt #: 238 total cpu time spent up to now is 123.0 secs Computing kpt #: 239 total cpu time spent up to now is 123.5 secs Computing kpt #: 240 total cpu time spent up to now is 124.0 secs Computing kpt #: 241 total cpu time spent up to now is 124.5 secs Computing kpt #: 242 total cpu time spent up to now is 125.0 secs Computing kpt #: 243 total cpu time spent up to now is 125.5 secs Computing kpt #: 244 total cpu time spent up to now is 126.0 secs Computing kpt #: 245 total cpu time spent up to now is 126.5 secs Computing kpt #: 246 total cpu time spent up to now is 127.0 secs Computing kpt #: 247 total cpu time spent up to now is 127.4 secs Computing kpt #: 248 total cpu time spent up to now is 127.9 secs Computing kpt #: 249 total cpu time spent up to now is 128.4 secs Computing kpt #: 250 total cpu time spent up to now is 128.9 secs Computing kpt #: 251 total cpu time spent up to now is 129.4 secs Computing kpt #: 252 total cpu time spent up to now is 129.8 secs Computing kpt #: 253 total cpu time spent up to now is 130.3 secs Computing kpt #: 254 total cpu time spent up to now is 130.8 secs Computing kpt #: 255 total cpu time spent up to now is 131.3 secs Computing kpt #: 256 total cpu time spent up to now is 131.8 secs Computing kpt #: 257 total cpu time spent up to now is 132.3 secs Computing kpt #: 258 total cpu time spent up to now is 132.8 secs Computing kpt #: 259 total cpu time spent up to now is 133.3 secs Computing kpt #: 260 total cpu time spent up to now is 133.8 secs Computing kpt #: 261 total cpu time spent up to now is 134.3 secs Computing kpt #: 262 total cpu time spent up to now is 134.8 secs Computing kpt #: 263 total cpu time spent up to now is 135.2 secs Computing kpt #: 264 total cpu time spent up to now is 135.7 secs Computing kpt #: 265 total cpu time spent up to now is 136.2 secs Computing kpt #: 266 total cpu time spent up to now is 136.7 secs Computing kpt #: 267 total cpu time spent up to now is 137.1 secs Computing kpt #: 268 total cpu time spent up to now is 137.6 secs Computing kpt #: 269 total cpu time spent up to now is 138.0 secs Computing kpt #: 270 total cpu time spent up to now is 138.5 secs Computing kpt #: 271 total cpu time spent up to now is 138.9 secs Computing kpt #: 272 total cpu time spent up to now is 139.4 secs Computing kpt #: 273 total cpu time spent up to now is 139.9 secs Computing kpt #: 274 total cpu time spent up to now is 140.3 secs Computing kpt #: 275 total cpu time spent up to now is 140.8 secs Computing kpt #: 276 total cpu time spent up to now is 141.2 secs Computing kpt #: 277 total cpu time spent up to now is 141.7 secs Computing kpt #: 278 total cpu time spent up to now is 142.5 secs Computing kpt #: 279 total cpu time spent up to now is 142.9 secs Computing kpt #: 280 total cpu time spent up to now is 143.4 secs Computing kpt #: 281 total cpu time spent up to now is 143.8 secs Computing kpt #: 282 total cpu time spent up to now is 144.3 secs Computing kpt #: 283 total cpu time spent up to now is 144.8 secs Computing kpt #: 284 total cpu time spent up to now is 145.2 secs Computing kpt #: 285 total cpu time spent up to now is 145.7 secs Computing kpt #: 286 total cpu time spent up to now is 146.2 secs Computing kpt #: 287 total cpu time spent up to now is 146.6 secs Computing kpt #: 288 total cpu time spent up to now is 147.1 secs Computing kpt #: 289 total cpu time spent up to now is 147.6 secs Computing kpt #: 290 total cpu time spent up to now is 148.0 secs Computing kpt #: 291 total cpu time spent up to now is 148.5 secs Computing kpt #: 292 total cpu time spent up to now is 149.0 secs Computing kpt #: 293 total cpu time spent up to now is 149.5 secs Computing kpt #: 294 total cpu time spent up to now is 150.0 secs Computing kpt #: 295 total cpu time spent up to now is 150.5 secs Computing kpt #: 296 total cpu time spent up to now is 151.0 secs Computing kpt #: 297 total cpu time spent up to now is 151.5 secs Computing kpt #: 298 total cpu time spent up to now is 152.0 secs Computing kpt #: 299 total cpu time spent up to now is 152.5 secs Computing kpt #: 300 total cpu time spent up to now is 153.0 secs Computing kpt #: 301 total cpu time spent up to now is 153.5 secs Computing kpt #: 302 total cpu time spent up to now is 154.0 secs Computing kpt #: 303 total cpu time spent up to now is 154.6 secs Computing kpt #: 304 total cpu time spent up to now is 155.1 secs Computing kpt #: 305 total cpu time spent up to now is 155.6 secs Computing kpt #: 306 total cpu time spent up to now is 156.1 secs Computing kpt #: 307 total cpu time spent up to now is 156.6 secs Computing kpt #: 308 total cpu time spent up to now is 157.1 secs Computing kpt #: 309 total cpu time spent up to now is 157.5 secs Computing kpt #: 310 total cpu time spent up to now is 158.0 secs Computing kpt #: 311 total cpu time spent up to now is 158.5 secs Computing kpt #: 312 total cpu time spent up to now is 159.0 secs Computing kpt #: 313 total cpu time spent up to now is 159.5 secs Computing kpt #: 314 total cpu time spent up to now is 159.9 secs Computing kpt #: 315 total cpu time spent up to now is 160.4 secs Computing kpt #: 316 total cpu time spent up to now is 160.9 secs Computing kpt #: 317 total cpu time spent up to now is 161.4 secs Computing kpt #: 318 total cpu time spent up to now is 161.9 secs Computing kpt #: 319 total cpu time spent up to now is 162.3 secs Computing kpt #: 320 total cpu time spent up to now is 162.8 secs Computing kpt #: 321 total cpu time spent up to now is 163.3 secs Computing kpt #: 322 total cpu time spent up to now is 163.8 secs Computing kpt #: 323 total cpu time spent up to now is 164.3 secs Computing kpt #: 324 total cpu time spent up to now is 164.8 secs Computing kpt #: 325 total cpu time spent up to now is 165.3 secs Computing kpt #: 326 total cpu time spent up to now is 165.9 secs Computing kpt #: 327 total cpu time spent up to now is 166.5 secs Computing kpt #: 328 total cpu time spent up to now is 167.0 secs Computing kpt #: 329 total cpu time spent up to now is 167.5 secs Computing kpt #: 330 total cpu time spent up to now is 168.0 secs Computing kpt #: 331 total cpu time spent up to now is 168.5 secs Computing kpt #: 332 total cpu time spent up to now is 169.0 secs Computing kpt #: 333 total cpu time spent up to now is 169.5 secs Computing kpt #: 334 total cpu time spent up to now is 170.0 secs Computing kpt #: 335 total cpu time spent up to now is 170.4 secs Computing kpt #: 336 total cpu time spent up to now is 170.9 secs Computing kpt #: 337 total cpu time spent up to now is 171.4 secs Computing kpt #: 338 total cpu time spent up to now is 171.9 secs ethr = 2.00E-08, avg # of iterations = 18.8 total cpu time spent up to now is 171.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -45.3119 -45.3119 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.4296 -4.4296 -3.9903 -3.9903 -3.5346 -3.5346 -2.8933 -2.8933 3.8161 3.8161 5.2723 5.2723 6.8502 6.8502 7.6333 7.6333 7.6633 7.6633 7.6818 7.6818 7.7364 7.7364 8.5287 8.5287 8.5848 8.5848 8.7470 8.7470 8.7945 8.7945 9.7682 9.7682 9.8151 9.8151 10.8873 10.8873 12.2883 12.2883 12.4801 12.4801 12.5413 12.5413 12.5875 12.5875 k = 0.0094 0.0054-0.0000 ( 4823 PWs) bands (ev): -45.3119 -45.3119 -45.3112 -45.3112 -22.8140 -22.8140 -22.8139 -22.8139 -20.7488 -20.7488 -20.7486 -20.7486 -20.6552 -20.6552 -20.6551 -20.6551 -4.4285 -4.4285 -3.9893 -3.9893 -3.5340 -3.5340 -2.8930 -2.8930 3.8175 3.8175 5.2737 5.2737 6.8488 6.8488 7.6317 7.6317 7.6617 7.6617 7.6808 7.6808 7.7353 7.7353 8.5256 8.5256 8.5835 8.5835 8.7437 8.7437 8.7932 8.7932 9.7678 9.7678 9.8154 9.8154 10.8837 10.8837 12.2894 12.2894 12.4805 12.4805 12.5407 12.5407 12.5876 12.5876 k = 0.0189 0.0109-0.0000 ( 4815 PWs) bands (ev): -45.3117 -45.3117 -45.3111 -45.3111 -22.8142 -22.8142 -22.8141 -22.8141 -20.7489 -20.7489 -20.7486 -20.7486 -20.6556 -20.6556 -20.6556 -20.6556 -4.4252 -4.4252 -3.9862 -3.9862 -3.5322 -3.5322 -2.8918 -2.8918 3.8217 3.8217 5.2777 5.2777 6.8445 6.8445 7.6255 7.6255 7.6562 7.6562 7.6790 7.6790 7.7328 7.7328 8.5162 8.5162 8.5794 8.5794 8.7341 8.7341 8.7893 8.7893 9.7665 9.7665 9.8162 9.8162 10.8729 10.8729 12.2928 12.2928 12.4819 12.4819 12.5388 12.5388 12.5875 12.5875 k = 0.0283 0.0163-0.0000 ( 4821 PWs) bands (ev): -45.3117 -45.3117 -45.3110 -45.3110 -22.8145 -22.8145 -22.8144 -22.8144 -20.7490 -20.7490 -20.7487 -20.7487 -20.6565 -20.6565 -20.6564 -20.6564 -4.4199 -4.4199 -3.9811 -3.9811 -3.5293 -3.5293 -2.8900 -2.8900 3.8287 3.8287 5.2844 5.2844 6.8373 6.8373 7.6119 7.6119 7.6456 7.6456 7.6784 7.6784 7.7311 7.7311 8.5006 8.5006 8.5726 8.5726 8.7184 8.7184 8.7828 8.7828 9.7645 9.7645 9.8171 9.8171 10.8551 10.8551 12.2980 12.2980 12.4845 12.4845 12.5353 12.5353 12.5864 12.5864 k = 0.0377 0.0218-0.0000 ( 4823 PWs) bands (ev): -45.3116 -45.3116 -45.3109 -45.3109 -22.8150 -22.8150 -22.8149 -22.8149 -20.7491 -20.7491 -20.7489 -20.7489 -20.6576 -20.6576 -20.6576 -20.6576 -4.4123 -4.4123 -3.9739 -3.9739 -3.5253 -3.5253 -2.8874 -2.8874 3.8385 3.8385 5.2937 5.2937 6.8274 6.8274 7.5893 7.5893 7.6278 7.6278 7.6808 7.6808 7.7327 7.7327 8.4789 8.4789 8.5627 8.5627 8.6973 8.6973 8.7737 8.7737 9.7619 9.7619 9.8175 9.8175 10.8305 10.8305 12.3046 12.3046 12.4885 12.4885 12.5296 12.5296 12.5833 12.5833 k = 0.0472 0.0272-0.0000 ( 4831 PWs) bands (ev): -45.3115 -45.3115 -45.3107 -45.3107 -22.8156 -22.8156 -22.8154 -22.8154 -20.7493 -20.7493 -20.7491 -20.7491 -20.6591 -20.6591 -20.6590 -20.6590 -4.4027 -4.4027 -3.9648 -3.9648 -3.5201 -3.5201 -2.8841 -2.8841 3.8510 3.8510 5.3056 5.3056 6.8147 6.8147 7.5581 7.5581 7.6020 7.6020 7.6863 7.6863 7.7382 7.7382 8.4513 8.4513 8.5497 8.5497 8.6713 8.6713 8.7620 8.7620 9.7586 9.7586 9.8169 9.8169 10.7995 10.7995 12.3119 12.3119 12.4939 12.4939 12.5210 12.5210 12.5780 12.5780 k = 0.0566 0.0327-0.0000 ( 4833 PWs) bands (ev): -45.3113 -45.3113 -45.3105 -45.3105 -22.8163 -22.8163 -22.8162 -22.8162 -20.7495 -20.7495 -20.7493 -20.7493 -20.6608 -20.6608 -20.6608 -20.6608 -4.3909 -4.3909 -3.9536 -3.9536 -3.5137 -3.5137 -2.8801 -2.8801 3.8662 3.8662 5.3200 5.3200 6.7994 6.7994 7.5193 7.5193 7.5684 7.5684 7.6945 7.6945 7.7473 7.7473 8.4179 8.4179 8.5332 8.5332 8.6413 8.6413 8.7476 8.7476 9.7545 9.7545 9.8149 9.8149 10.7626 10.7626 12.3193 12.3193 12.4986 12.4986 12.5086 12.5086 12.5622 12.5622 k = 0.0660 0.0381-0.0000 ( 4841 PWs) bands (ev): -45.3109 -45.3109 -45.3104 -45.3104 -22.8171 -22.8171 -22.8170 -22.8170 -20.7498 -20.7498 -20.7496 -20.7496 -20.6628 -20.6628 -20.6628 -20.6628 -4.3771 -4.3771 -3.9405 -3.9405 -3.5062 -3.5062 -2.8754 -2.8754 3.8840 3.8840 5.3369 5.3369 6.7815 6.7815 7.4738 7.4738 7.5281 7.5281 7.7050 7.7050 7.7594 7.7594 8.3789 8.3789 8.5130 8.5130 8.6079 8.6079 8.7304 8.7304 9.7493 9.7493 9.8111 9.8111 10.7201 10.7201 12.3258 12.3258 12.4890 12.4890 12.4980 12.4980 12.5201 12.5201 k = 0.0755 0.0436-0.0000 ( 4839 PWs) bands (ev): -45.3106 -45.3106 -45.3101 -45.3101 -22.8181 -22.8181 -22.8180 -22.8180 -20.7502 -20.7502 -20.7500 -20.7500 -20.6651 -20.6651 -20.6651 -20.6651 -4.3612 -4.3612 -3.9255 -3.9255 -3.4976 -3.4976 -2.8700 -2.8700 3.9045 3.9045 5.3563 5.3563 6.7611 6.7611 7.4221 7.4221 7.4818 7.4818 7.7175 7.7175 7.7741 7.7741 8.3346 8.3346 8.4890 8.4890 8.5719 8.5719 8.7104 8.7104 9.7426 9.7426 9.8054 9.8054 10.6728 10.6728 12.3298 12.3298 12.4487 12.4487 12.4806 12.4806 12.4999 12.4999 k = 0.0849 0.0490-0.0000 ( 4843 PWs) bands (ev): -45.3103 -45.3103 -45.3098 -45.3098 -22.8192 -22.8192 -22.8191 -22.8191 -20.7506 -20.7506 -20.7504 -20.7504 -20.6677 -20.6677 -20.6677 -20.6677 -4.3432 -4.3432 -3.9085 -3.9085 -3.4879 -3.4879 -2.8639 -2.8639 3.9274 3.9274 5.3779 5.3779 6.7383 6.7383 7.3647 7.3647 7.4301 7.4301 7.7318 7.7318 7.7912 7.7912 8.2854 8.2854 8.4611 8.4611 8.5341 8.5341 8.6874 8.6874 9.7339 9.7339 9.7980 9.7980 10.6210 10.6210 12.3288 12.3288 12.3924 12.3924 12.4583 12.4583 12.4919 12.4919 k = 0.0943 0.0545-0.0000 ( 4831 PWs) bands (ev): -45.3097 -45.3097 -45.3095 -45.3095 -22.8204 -22.8204 -22.8203 -22.8203 -20.7511 -20.7511 -20.7509 -20.7509 -20.6705 -20.6705 -20.6704 -20.6704 -4.3233 -4.3233 -3.8897 -3.8897 -3.4771 -3.4771 -2.8572 -2.8572 3.9527 3.9527 5.4017 5.4017 6.7132 6.7132 7.3023 7.3023 7.3738 7.3738 7.7478 7.7478 7.8102 7.8102 8.2316 8.2316 8.4292 8.4292 8.4950 8.4950 8.6611 8.6611 9.7228 9.7228 9.7889 9.7889 10.5655 10.5655 12.3151 12.3151 12.3372 12.3372 12.4347 12.4347 12.4901 12.4901 k = 0.1038 0.0599-0.0000 ( 4833 PWs) bands (ev): -45.3092 -45.3092 -45.3092 -45.3092 -22.8217 -22.8217 -22.8216 -22.8216 -20.7517 -20.7517 -20.7515 -20.7515 -20.6734 -20.6734 -20.6734 -20.6734 -4.3014 -4.3014 -3.8691 -3.8691 -3.4652 -3.4652 -2.8498 -2.8498 3.9804 3.9804 5.4276 5.4276 6.6859 6.6859 7.2353 7.2353 7.3134 7.3134 7.7654 7.7654 7.8312 7.8312 8.1736 8.1736 8.3934 8.3934 8.4550 8.4550 8.6315 8.6315 9.7088 9.7088 9.7784 9.7784 10.5068 10.5068 12.2617 12.2617 12.3125 12.3125 12.4091 12.4091 12.4971 12.4971 k = 0.1132 0.0654-0.0000 ( 4835 PWs) bands (ev): -45.3088 -45.3088 -45.3087 -45.3087 -22.8231 -22.8231 -22.8230 -22.8230 -20.7523 -20.7523 -20.7522 -20.7522 -20.6766 -20.6766 -20.6766 -20.6766 -4.2776 -4.2776 -3.8468 -3.8468 -3.4523 -3.4523 -2.8418 -2.8418 4.0103 4.0103 5.4555 5.4555 6.6564 6.6564 7.1642 7.1642 7.2494 7.2494 7.7844 7.7844 7.8535 7.8535 8.1122 8.1122 8.3540 8.3540 8.4145 8.4145 8.5983 8.5983 9.6918 9.6918 9.7664 9.7664 10.4456 10.4456 12.1979 12.1979 12.2926 12.2926 12.3821 12.3821 12.5128 12.5128 k = 0.1226 0.0708-0.0000 ( 4835 PWs) bands (ev): -45.3083 -45.3083 -45.3083 -45.3083 -22.8246 -22.8246 -22.8246 -22.8246 -20.7531 -20.7531 -20.7530 -20.7530 -20.6799 -20.6799 -20.6799 -20.6799 -4.2519 -4.2519 -3.8227 -3.8227 -3.4384 -3.4384 -2.8332 -2.8332 4.0423 4.0423 5.4851 5.4851 6.6247 6.6247 7.0895 7.0895 7.1824 7.1824 7.8048 7.8048 7.8766 7.8766 8.0484 8.0484 8.3116 8.3116 8.3734 8.3734 8.5616 8.5616 9.6718 9.6718 9.7528 9.7528 10.3824 10.3824 12.1340 12.1340 12.2713 12.2713 12.3540 12.3540 12.5347 12.5347 k = 0.1321 0.0763-0.0000 ( 4839 PWs) bands (ev): -45.3079 -45.3079 -45.3077 -45.3077 -22.8263 -22.8263 -22.8262 -22.8262 -20.7541 -20.7541 -20.7539 -20.7539 -20.6833 -20.6833 -20.6833 -20.6833 -4.2244 -4.2244 -3.7970 -3.7970 -3.4235 -3.4235 -2.8240 -2.8240 4.0762 4.0762 5.5163 5.5163 6.5909 6.5909 7.0118 7.0118 7.1128 7.1128 7.8263 7.8263 7.8968 7.8968 7.9861 7.9861 8.2669 8.2669 8.3315 8.3315 8.5214 8.5214 9.6490 9.6490 9.7372 9.7372 10.3180 10.3180 12.0713 12.0713 12.2502 12.2502 12.3256 12.3256 12.5591 12.5591 k = 0.1415 0.0817-0.0000 ( 4823 PWs) bands (ev): -45.3073 -45.3073 -45.3071 -45.3071 -22.8280 -22.8280 -22.8279 -22.8279 -20.7552 -20.7552 -20.7550 -20.7550 -20.6868 -20.6868 -20.6868 -20.6868 -4.1951 -4.1951 -3.7697 -3.7697 -3.4076 -3.4076 -2.8143 -2.8143 4.1119 4.1119 5.5489 5.5489 6.5551 6.5551 6.9314 6.9314 7.0412 7.0412 7.8486 7.8486 7.8845 7.8845 7.9553 7.9553 8.2204 8.2204 8.2887 8.2887 8.4779 8.4779 9.6239 9.6239 9.7192 9.7192 10.2531 10.2531 12.0111 12.0111 12.2306 12.2306 12.2976 12.2976 12.5783 12.5783 k = 0.1509 0.0871-0.0000 ( 4823 PWs) bands (ev): -45.3068 -45.3068 -45.3065 -45.3065 -22.8298 -22.8298 -22.8297 -22.8297 -20.7565 -20.7565 -20.7563 -20.7563 -20.6903 -20.6903 -20.6903 -20.6903 -4.1641 -4.1641 -3.7409 -3.7409 -3.3908 -3.3908 -2.8040 -2.8040 4.1491 4.1491 5.5825 5.5825 6.5172 6.5172 6.8488 6.8488 6.9680 6.9680 7.8209 7.8209 7.8729 7.8729 7.9737 7.9737 8.1726 8.1726 8.2452 8.2452 8.4315 8.4315 9.5967 9.5967 9.6984 9.6984 10.1882 10.1882 11.9542 11.9542 12.2128 12.2128 12.2709 12.2709 12.5810 12.5810 k = 0.1604 0.0926-0.0000 ( 4829 PWs) bands (ev): -45.3062 -45.3062 -45.3060 -45.3060 -22.8317 -22.8317 -22.8317 -22.8317 -20.7580 -20.7580 -20.7578 -20.7578 -20.6938 -20.6938 -20.6938 -20.6938 -4.1315 -4.1315 -3.7107 -3.7107 -3.3730 -3.3730 -2.7933 -2.7933 4.1878 4.1878 5.6170 5.6170 6.4771 6.4771 6.7647 6.7647 6.8938 6.8938 7.7476 7.7476 7.8965 7.8965 8.0021 8.0021 8.1240 8.1240 8.2008 8.2008 8.3827 8.3827 9.5679 9.5679 9.6742 9.6742 10.1241 10.1241 11.9012 11.9012 12.1961 12.1961 12.2475 12.2475 12.5684 12.5684 k = 0.1698 0.0980-0.0000 ( 4823 PWs) bands (ev): -45.3055 -45.3055 -45.3053 -45.3053 -22.8337 -22.8337 -22.8337 -22.8337 -20.7597 -20.7597 -20.7596 -20.7596 -20.6972 -20.6972 -20.6972 -20.6972 -4.0973 -4.0973 -3.6791 -3.6791 -3.3544 -3.3544 -2.7821 -2.7821 4.2275 4.2275 5.6518 5.6518 6.4348 6.4348 6.6796 6.6796 6.8191 6.8191 7.6707 7.6707 7.9201 7.9201 8.0331 8.0331 8.0750 8.0750 8.1561 8.1561 8.3323 8.3323 9.5377 9.5377 9.6464 9.6464 10.0612 10.0612 11.8529 11.8529 12.1783 12.1783 12.2303 12.2303 12.5491 12.5491 k = 0.1792 0.1035-0.0000 ( 4829 PWs) bands (ev): -45.3049 -45.3049 -45.3048 -45.3048 -22.8358 -22.8358 -22.8357 -22.8357 -20.7617 -20.7617 -20.7616 -20.7616 -20.7005 -20.7005 -20.7005 -20.7005 -4.0616 -4.0616 -3.6463 -3.6463 -3.3350 -3.3350 -2.7705 -2.7705 4.2681 4.2681 5.6867 5.6867 6.3901 6.3901 6.5941 6.5941 6.7443 6.7443 7.5918 7.5918 7.9422 7.9422 8.0263 8.0263 8.0656 8.0656 8.1115 8.1115 8.2811 8.2811 9.5065 9.5065 9.6151 9.6151 10.0000 10.0000 11.8097 11.8097 12.1578 12.1578 12.2213 12.2213 12.5270 12.5270 k = 0.1887 0.1089-0.0000 ( 4829 PWs) bands (ev): -45.3042 -45.3042 -45.3041 -45.3041 -22.8379 -22.8379 -22.8379 -22.8379 -20.7641 -20.7641 -20.7639 -20.7639 -20.7036 -20.7036 -20.7036 -20.7036 -4.0244 -4.0244 -3.6123 -3.6123 -3.3148 -3.3148 -2.7586 -2.7586 4.3093 4.3093 5.7208 5.7208 6.3426 6.3426 6.5091 6.5091 6.6700 6.6700 7.5114 7.5114 7.9552 7.9552 7.9832 7.9832 8.0683 8.0683 8.0995 8.0995 8.2309 8.2309 9.4743 9.4743 9.5802 9.5802 9.9409 9.9409 11.7721 11.7721 12.1353 12.1353 12.2202 12.2202 12.5037 12.5037 k = 0.1981 0.1144-0.0000 ( 4835 PWs) bands (ev): -45.3036 -45.3036 -45.3035 -45.3035 -22.8401 -22.8401 -22.8401 -22.8401 -20.7667 -20.7667 -20.7666 -20.7666 -20.7065 -20.7065 -20.7065 -20.7065 -3.9859 -3.9859 -3.5773 -3.5773 -3.2939 -3.2939 -2.7462 -2.7462 4.3507 4.3507 5.7535 5.7535 6.2920 6.2920 6.4259 6.4259 6.5968 6.5968 7.4299 7.4299 7.9217 7.9217 7.9735 7.9735 8.0353 8.0353 8.1318 8.1318 8.1858 8.1858 9.4414 9.4414 9.5425 9.5425 9.8841 9.8841 11.7403 11.7403 12.1124 12.1124 12.2254 12.2254 12.4799 12.4799 k = 0.2075 0.1198-0.0000 ( 4829 PWs) bands (ev): -45.3029 -45.3029 -45.3028 -45.3028 -22.8424 -22.8424 -22.8424 -22.8424 -20.7697 -20.7697 -20.7696 -20.7696 -20.7092 -20.7092 -20.7092 -20.7092 -3.9462 -3.9462 -3.5412 -3.5412 -3.2722 -3.2722 -2.7336 -2.7336 4.3919 4.3919 5.7833 5.7833 6.2377 6.2377 6.3461 6.3461 6.5253 6.5253 7.3476 7.3476 7.8739 7.8739 7.9481 7.9481 8.0228 8.0228 8.1380 8.1380 8.1775 8.1775 9.4079 9.4079 9.5024 9.5024 9.8296 9.8296 11.7147 11.7147 12.0902 12.0902 12.2361 12.2361 12.4562 12.4562 k = 0.2170 0.1253-0.0000 ( 4844 PWs) bands (ev): -45.3023 -45.3023 -45.3022 -45.3022 -22.8447 -22.8447 -22.8447 -22.8447 -20.7730 -20.7730 -20.7729 -20.7729 -20.7116 -20.7116 -20.7116 -20.7116 -3.9052 -3.9052 -3.5044 -3.5044 -3.2499 -3.2499 -2.7208 -2.7208 4.4324 4.4324 5.8079 5.8079 6.1799 6.1799 6.2715 6.2715 6.4565 6.4565 7.2648 7.2648 7.8254 7.8254 7.9065 7.9065 8.0059 8.0059 8.1263 8.1263 8.2101 8.2101 9.3739 9.3739 9.4611 9.4611 9.7771 9.7771 11.6951 11.6951 12.0692 12.0692 12.2514 12.2514 12.4327 12.4327 k = 0.2264 0.1307-0.0000 ( 4848 PWs) bands (ev): -45.3016 -45.3016 -45.3015 -45.3015 -22.8470 -22.8470 -22.8470 -22.8470 -20.7766 -20.7766 -20.7765 -20.7765 -20.7137 -20.7137 -20.7137 -20.7137 -3.8632 -3.8632 -3.4668 -3.4668 -3.2271 -3.2271 -2.7077 -2.7077 4.4718 4.4718 5.8233 5.8233 6.1215 6.1215 6.2028 6.2028 6.3912 6.3912 7.1819 7.1819 7.7772 7.7772 7.8611 7.8611 7.9707 7.9707 8.1352 8.1352 8.2461 8.2461 9.3396 9.3396 9.4196 9.4196 9.7268 9.7268 11.6815 11.6815 12.0500 12.0500 12.2710 12.2710 12.4099 12.4099 k = 0.2358 0.1362-0.0000 ( 4842 PWs) bands (ev): -45.3008 -45.3008 -45.3008 -45.3008 -22.8494 -22.8494 -22.8494 -22.8494 -20.7805 -20.7805 -20.7804 -20.7804 -20.7156 -20.7156 -20.7156 -20.7156 -3.8203 -3.8203 -3.4286 -3.4286 -3.2037 -3.2037 -2.6945 -2.6945 4.5095 4.5095 5.8217 5.8217 6.0704 6.0704 6.1389 6.1389 6.3310 6.3310 7.0989 7.0989 7.7296 7.7296 7.8150 7.8150 7.9268 7.9268 8.1550 8.1550 8.2827 8.2827 9.3050 9.3050 9.3788 9.3788 9.6785 9.6785 11.6738 11.6738 12.0327 12.0327 12.2943 12.2943 12.3879 12.3879 k = 0.2453 0.1416-0.0000 ( 4840 PWs) bands (ev): -45.3001 -45.3001 -45.3001 -45.3001 -22.8518 -22.8518 -22.8518 -22.8518 -20.7846 -20.7846 -20.7845 -20.7845 -20.7172 -20.7172 -20.7172 -20.7172 -3.7765 -3.7765 -3.3899 -3.3899 -3.1798 -3.1798 -2.6812 -2.6812 4.5449 4.5449 5.7942 5.7942 6.0361 6.0361 6.0778 6.0778 6.2779 6.2779 7.0163 7.0163 7.6829 7.6829 7.7692 7.7692 7.8806 7.8806 8.1789 8.1789 8.3196 8.3196 9.2705 9.2705 9.3397 9.3397 9.6323 9.6323 11.6717 11.6717 12.0175 12.0175 12.3207 12.3207 12.3671 12.3671 k = 0.2547 0.1471-0.0000 ( 4840 PWs) bands (ev): -45.2994 -45.2994 -45.2994 -45.2994 -22.8542 -22.8542 -22.8542 -22.8542 -20.7890 -20.7890 -20.7889 -20.7889 -20.7186 -20.7186 -20.7186 -20.7186 -3.7319 -3.7319 -3.3508 -3.3508 -3.1555 -3.1555 -2.6679 -2.6679 4.5772 4.5772 5.7412 5.7412 6.0120 6.0120 6.0233 6.0233 6.2350 6.2350 6.9342 6.9342 7.6370 7.6370 7.7242 7.7242 7.8344 7.8344 8.2043 8.2043 8.3563 8.3563 9.2364 9.2364 9.3027 9.3027 9.5883 9.5883 11.6749 11.6749 12.0046 12.0046 12.3434 12.3434 12.3539 12.3539 k = 0.2642 0.1525-0.0000 ( 4832 PWs) bands (ev): -45.2987 -45.2987 -45.2986 -45.2986 -22.8566 -22.8566 -22.8566 -22.8566 -20.7935 -20.7935 -20.7934 -20.7934 -20.7198 -20.7198 -20.7198 -20.7198 -3.6867 -3.6867 -3.3115 -3.3115 -3.1308 -3.1308 -2.6546 -2.6546 4.6058 4.6058 5.6722 5.6722 5.9558 5.9558 6.0052 6.0052 6.2058 6.2058 6.8530 6.8530 7.5922 7.5922 7.6806 7.6806 7.7891 7.7891 8.2302 8.2302 8.3928 8.3928 9.2035 9.2035 9.2680 9.2680 9.5469 9.5469 11.6831 11.6831 11.9940 11.9940 12.3274 12.3274 12.3831 12.3831 k = 0.2736 0.1580-0.0000 ( 4834 PWs) bands (ev): -45.2981 -45.2981 -45.2979 -45.2979 -22.8591 -22.8591 -22.8591 -22.8591 -20.7981 -20.7981 -20.7981 -20.7981 -20.7208 -20.7208 -20.7208 -20.7208 -3.6411 -3.6411 -3.2721 -3.2721 -3.1059 -3.1059 -2.6413 -2.6413 4.6298 4.6298 5.5957 5.5957 5.8957 5.8957 5.9866 5.9866 6.1917 6.1917 6.7730 6.7730 7.5485 7.5485 7.6385 7.6385 7.7451 7.7451 8.2560 8.2560 8.4287 8.4287 9.1723 9.1723 9.2356 9.2356 9.5084 9.5084 11.6959 11.6959 11.9858 11.9858 12.3103 12.3103 12.4167 12.4167 k = 0.2830 0.1634-0.0000 ( 4834 PWs) bands (ev): -45.2973 -45.2973 -45.2972 -45.2972 -22.8615 -22.8615 -22.8615 -22.8615 -20.8029 -20.8029 -20.8028 -20.8028 -20.7217 -20.7217 -20.7217 -20.7217 -3.5950 -3.5950 -3.2329 -3.2329 -3.0808 -3.0808 -2.6282 -2.6282 4.6486 4.6486 5.5159 5.5159 5.8351 5.8351 5.9635 5.9635 6.1895 6.1895 6.6943 6.6943 7.5061 7.5061 7.5983 7.5983 7.7026 7.7026 8.2814 8.2814 8.4640 8.4640 9.1434 9.1434 9.2055 9.2055 9.4732 9.4732 11.7129 11.7129 11.9801 11.9801 12.2945 12.2945 12.4519 12.4519 k = 0.2925 0.1688-0.0000 ( 4844 PWs) bands (ev): -45.2967 -45.2967 -45.2966 -45.2966 -22.8639 -22.8639 -22.8639 -22.8639 -20.8077 -20.8077 -20.8076 -20.8076 -20.7224 -20.7224 -20.7224 -20.7224 -3.5488 -3.5488 -3.1938 -3.1938 -3.0556 -3.0556 -2.6153 -2.6153 4.6616 4.6616 5.4350 5.4350 5.7744 5.7744 5.9394 5.9394 6.1941 6.1941 6.6173 6.6173 7.4650 7.4650 7.5602 7.5602 7.6616 7.6616 8.3061 8.3061 8.4982 8.4982 9.1174 9.1174 9.1775 9.1775 9.4420 9.4420 11.7339 11.7339 11.9767 11.9767 12.2802 12.2802 12.4881 12.4881 k = 0.3019 0.1743-0.0000 ( 4848 PWs) bands (ev): -45.2960 -45.2960 -45.2960 -45.2960 -22.8663 -22.8663 -22.8662 -22.8662 -20.8124 -20.8124 -20.8124 -20.8124 -20.7230 -20.7230 -20.7230 -20.7230 -3.5024 -3.5024 -3.1551 -3.1551 -3.0303 -3.0303 -2.6026 -2.6026 4.6682 4.6682 5.3544 5.3544 5.7137 5.7137 5.9176 5.9176 6.2011 6.2011 6.5424 6.5424 7.4253 7.4253 7.5242 7.5242 7.6223 7.6223 8.3300 8.3300 8.5313 8.5313 9.0945 9.0945 9.1516 9.1516 9.4150 9.4150 11.7585 11.7585 11.9758 11.9758 12.2675 12.2675 12.5248 12.5248 k = 0.3113 0.1797-0.0000 ( 4852 PWs) bands (ev): -45.2954 -45.2954 -45.2954 -45.2954 -22.8686 -22.8686 -22.8686 -22.8686 -20.8172 -20.8172 -20.8172 -20.8172 -20.7236 -20.7236 -20.7235 -20.7235 -3.4562 -3.4562 -3.1170 -3.1170 -3.0050 -3.0050 -2.5903 -2.5903 4.6683 4.6683 5.2747 5.2747 5.6532 5.6532 5.9000 5.9000 6.2079 6.2079 6.4700 6.4700 7.3872 7.3872 7.4906 7.4906 7.5845 7.5845 8.3530 8.3530 8.5631 8.5631 9.0748 9.0748 9.1277 9.1277 9.3928 9.3928 11.7863 11.7863 11.9773 11.9773 12.2564 12.2564 12.5615 12.5615 k = 0.3208 0.1852-0.0000 ( 4852 PWs) bands (ev): -45.2948 -45.2948 -45.2947 -45.2947 -22.8709 -22.8709 -22.8708 -22.8708 -20.8219 -20.8219 -20.8219 -20.8219 -20.7240 -20.7240 -20.7239 -20.7239 -3.4102 -3.4102 -3.0796 -3.0796 -2.9799 -2.9799 -2.5783 -2.5783 4.6620 4.6620 5.1965 5.1965 5.5934 5.5934 5.8876 5.8876 6.2124 6.2124 6.4010 6.4010 7.3506 7.3506 7.4592 7.4592 7.5485 7.5485 8.3749 8.3749 8.5931 8.5931 9.0584 9.0584 9.1060 9.1060 9.3756 9.3756 11.8171 11.8171 11.9810 11.9810 12.2470 12.2470 12.5978 12.5978 k = 0.3302 0.1906-0.0000 ( 4844 PWs) bands (ev): -45.2940 -45.2940 -45.2940 -45.2940 -22.8731 -22.8731 -22.8731 -22.8731 -20.8265 -20.8265 -20.8265 -20.8265 -20.7243 -20.7243 -20.7243 -20.7243 -3.3646 -3.3646 -3.0431 -3.0431 -2.9549 -2.9549 -2.5667 -2.5667 4.6496 4.6496 5.1203 5.1203 5.5345 5.5345 5.8806 5.8806 6.2120 6.2120 6.3377 6.3377 7.3156 7.3156 7.4301 7.4301 7.5141 7.5141 8.3957 8.3957 8.6213 8.6213 9.0451 9.0451 9.0865 9.0865 9.3637 9.3637 11.8506 11.8506 11.9868 11.9868 12.2392 12.2392 12.6330 12.6330 k = 0.3396 0.1961-0.0000 ( 4846 PWs) bands (ev): -45.2934 -45.2934 -45.2934 -45.2934 -22.8753 -22.8753 -22.8752 -22.8752 -20.8310 -20.8310 -20.8310 -20.8310 -20.7246 -20.7246 -20.7246 -20.7246 -3.3196 -3.3196 -3.0077 -3.0077 -2.9303 -2.9303 -2.5557 -2.5557 4.6317 4.6317 5.0464 5.0464 5.4767 5.4767 5.8784 5.8784 6.1999 6.1999 6.2865 6.2865 7.2823 7.2823 7.4033 7.4033 7.4814 7.4814 8.4153 8.4153 8.6474 8.6474 9.0349 9.0349 9.0693 9.0693 9.3568 9.3568 11.8865 11.8865 11.9946 11.9946 12.2330 12.2330 12.6666 12.6666 k = 0.3491 0.2015-0.0000 ( 4850 PWs) bands (ev): -45.2929 -45.2929 -45.2929 -45.2929 -22.8774 -22.8774 -22.8773 -22.8773 -20.8353 -20.8353 -20.8353 -20.8353 -20.7248 -20.7248 -20.7248 -20.7248 -3.2753 -3.2753 -2.9734 -2.9734 -2.9061 -2.9061 -2.5452 -2.5452 4.6093 4.6093 4.9750 4.9750 5.4204 5.4204 5.8806 5.8806 6.1654 6.1654 6.2583 6.2583 7.2507 7.2507 7.3787 7.3787 7.4505 7.4505 8.4337 8.4337 8.6709 8.6709 9.0278 9.0278 9.0546 9.0546 9.3550 9.3550 11.9246 11.9246 12.0041 12.0041 12.2284 12.2284 12.6979 12.6979 k = 0.3585 0.2070-0.0000 ( 4864 PWs) bands (ev): -45.2925 -45.2925 -45.2924 -45.2924 -22.8794 -22.8794 -22.8794 -22.8794 -20.8395 -20.8395 -20.8395 -20.8395 -20.7250 -20.7250 -20.7250 -20.7250 -3.2320 -3.2320 -2.9406 -2.9406 -2.8824 -2.8824 -2.5353 -2.5353 4.5832 4.5832 4.9066 4.9066 5.3660 5.3660 5.8862 5.8862 6.1154 6.1154 6.2465 6.2465 7.2208 7.2208 7.3561 7.3561 7.4214 7.4214 8.4508 8.4508 8.6918 8.6918 9.0235 9.0235 9.0427 9.0427 9.3577 9.3577 11.9646 11.9646 12.0151 12.0151 12.2253 12.2253 12.7261 12.7261 k = 0.3679 0.2124-0.0000 ( 4856 PWs) bands (ev): -45.2919 -45.2919 -45.2918 -45.2918 -22.8813 -22.8813 -22.8813 -22.8813 -20.8435 -20.8435 -20.8435 -20.8435 -20.7252 -20.7252 -20.7251 -20.7251 -3.1899 -3.1899 -2.9093 -2.9093 -2.8593 -2.8593 -2.5261 -2.5261 4.5543 4.5543 4.8412 4.8412 5.3136 5.3136 5.8941 5.8941 6.0626 6.0626 6.2390 6.2390 7.1927 7.1927 7.3355 7.3355 7.3941 7.3941 8.4668 8.4668 8.7098 8.7098 9.0219 9.0219 9.0338 9.0338 9.3644 9.3644 12.0063 12.0063 12.0275 12.0275 12.2237 12.2237 12.7496 12.7496 k = 0.3774 0.2179-0.0000 ( 4864 PWs) bands (ev): -45.2914 -45.2914 -45.2914 -45.2914 -22.8831 -22.8831 -22.8831 -22.8831 -20.8473 -20.8473 -20.8473 -20.8473 -20.7253 -20.7253 -20.7252 -20.7252 -3.1491 -3.1491 -2.8797 -2.8797 -2.8370 -2.8370 -2.5175 -2.5175 4.5237 4.5237 4.7793 4.7793 5.2635 5.2635 5.9030 5.9030 6.0120 6.0120 6.2318 6.2318 7.1664 7.1664 7.3168 7.3168 7.3686 7.3686 8.4814 8.4814 8.7246 8.7246 9.0221 9.0221 9.0286 9.0286 9.3744 9.3744 12.0408 12.0408 12.0494 12.0494 12.2236 12.2236 12.7666 12.7666 k = 0.3868 0.2233-0.0000 ( 4864 PWs) bands (ev): -45.2909 -45.2909 -45.2909 -45.2909 -22.8849 -22.8849 -22.8849 -22.8849 -20.8509 -20.8509 -20.8509 -20.8509 -20.7254 -20.7254 -20.7253 -20.7253 -3.1098 -3.1098 -2.8520 -2.8520 -2.8155 -2.8155 -2.5097 -2.5097 4.4923 4.4923 4.7209 4.7209 5.2161 5.2161 5.9087 5.9087 5.9685 5.9685 6.2239 6.2239 7.1419 7.1419 7.2998 7.2998 7.3451 7.3451 8.4948 8.4948 8.7363 8.7363 9.0215 9.0215 9.0297 9.0297 9.3870 9.3870 12.0550 12.0550 12.0933 12.0933 12.2252 12.2252 12.7754 12.7754 k = 0.3962 0.2288-0.0000 ( 4866 PWs) bands (ev): -45.2905 -45.2905 -45.2904 -45.2904 -22.8865 -22.8865 -22.8865 -22.8865 -20.8542 -20.8542 -20.8542 -20.8542 -20.7254 -20.7254 -20.7254 -20.7254 -3.0723 -3.0723 -2.8262 -2.8262 -2.7950 -2.7950 -2.5027 -2.5027 4.4607 4.4607 4.6664 4.6664 5.1715 5.1715 5.8942 5.8942 5.9491 5.9491 6.2151 6.2151 7.1193 7.1193 7.2844 7.2844 7.3236 7.3236 8.5070 8.5070 8.7450 8.7450 9.0213 9.0213 9.0354 9.0354 9.4015 9.4015 12.0695 12.0695 12.1369 12.1369 12.2291 12.2291 12.7774 12.7774 k = 0.4057 0.2342-0.0000 ( 4864 PWs) bands (ev): -45.2901 -45.2901 -45.2900 -45.2900 -22.8880 -22.8880 -22.8880 -22.8880 -20.8573 -20.8573 -20.8573 -20.8573 -20.7255 -20.7255 -20.7255 -20.7255 -3.0369 -3.0369 -2.8026 -2.8026 -2.7756 -2.7756 -2.4964 -2.4964 4.4297 4.4297 4.6159 4.6159 5.1300 5.1300 5.8586 5.8586 5.9547 5.9547 6.2054 6.2054 7.0986 7.0986 7.2705 7.2705 7.3041 7.3041 8.5180 8.5180 8.7509 8.7509 9.0228 9.0228 9.0437 9.0437 9.4170 9.4170 12.0842 12.0842 12.1771 12.1771 12.2381 12.2381 12.7748 12.7748 k = 0.4151 0.2397-0.0000 ( 4860 PWs) bands (ev): -45.2897 -45.2897 -45.2895 -45.2895 -22.8894 -22.8894 -22.8894 -22.8894 -20.8602 -20.8602 -20.8602 -20.8602 -20.7255 -20.7255 -20.7255 -20.7255 -3.0036 -3.0036 -2.7811 -2.7811 -2.7574 -2.7574 -2.4910 -2.4910 4.3999 4.3999 4.5696 4.5696 5.0918 5.0918 5.8209 5.8209 5.9660 5.9660 6.1950 6.1950 7.0797 7.0797 7.2577 7.2577 7.2869 7.2869 8.5279 8.5279 8.7546 8.7546 9.0260 9.0260 9.0538 9.0538 9.4329 9.4329 12.0986 12.0986 12.2047 12.2047 12.2608 12.2608 12.7695 12.7695 k = 0.4245 0.2451-0.0000 ( 4856 PWs) bands (ev): -45.2894 -45.2894 -45.2891 -45.2891 -22.8906 -22.8906 -22.8906 -22.8906 -20.8627 -20.8627 -20.8627 -20.8627 -20.7256 -20.7256 -20.7255 -20.7255 -2.9729 -2.9729 -2.7618 -2.7618 -2.7407 -2.7407 -2.4863 -2.4863 4.3720 4.3720 4.5277 4.5277 5.0571 5.0571 5.7857 5.7857 5.9784 5.9784 6.1840 6.1840 7.0628 7.0628 7.2461 7.2461 7.2719 7.2719 8.5366 8.5366 8.7564 8.7564 9.0304 9.0304 9.0651 9.0651 9.4484 9.4484 12.1126 12.1126 12.2171 12.2171 12.2994 12.2994 12.7622 12.7622 k = 0.4340 0.2505-0.0000 ( 4860 PWs) bands (ev): -45.2892 -45.2892 -45.2888 -45.2888 -22.8917 -22.8917 -22.8917 -22.8917 -20.8651 -20.8651 -20.8650 -20.8650 -20.7256 -20.7256 -20.7256 -20.7256 -2.9448 -2.9448 -2.7449 -2.7449 -2.7256 -2.7256 -2.4823 -2.4823 4.3462 4.3462 4.4904 4.4904 5.0260 5.0260 5.7540 5.7540 5.9909 5.9909 6.1728 6.1728 7.0479 7.0479 7.2353 7.2353 7.2593 7.2593 8.5442 8.5442 8.7569 8.7569 9.0355 9.0355 9.0772 9.0772 9.4631 9.4631 12.1257 12.1257 12.2235 12.2235 12.3440 12.3440 12.7532 12.7532 k = 0.4434 0.2560-0.0000 ( 4860 PWs) bands (ev): -45.2888 -45.2888 -45.2886 -45.2886 -22.8927 -22.8927 -22.8927 -22.8927 -20.8671 -20.8671 -20.8670 -20.8670 -20.7256 -20.7256 -20.7256 -20.7256 -2.9197 -2.9197 -2.7303 -2.7303 -2.7121 -2.7121 -2.4791 -2.4791 4.3231 4.3231 4.4577 4.4577 4.9988 4.9988 5.7262 5.7262 6.0032 6.0032 6.1614 6.1614 7.0349 7.0349 7.2255 7.2255 7.2490 7.2490 8.5507 8.5507 8.7566 8.7566 9.0407 9.0407 9.0894 9.0894 9.4765 9.4765 12.1378 12.1378 12.2281 12.2281 12.3897 12.3897 12.7423 12.7423 k = 0.4528 0.2614-0.0000 ( 4860 PWs) bands (ev): -45.2887 -45.2887 -45.2883 -45.2883 -22.8936 -22.8936 -22.8935 -22.8935 -20.8688 -20.8688 -20.8687 -20.8687 -20.7256 -20.7256 -20.7256 -20.7256 -2.8978 -2.8978 -2.7181 -2.7181 -2.7004 -2.7004 -2.4765 -2.4765 4.3030 4.3030 4.4299 4.4299 4.9756 4.9756 5.7024 5.7024 6.0150 6.0150 6.1501 6.1501 7.0239 7.0239 7.2168 7.2168 7.2408 7.2408 8.5562 8.5562 8.7557 8.7557 9.0457 9.0457 9.1012 9.1012 9.4882 9.4882 12.1485 12.1485 12.2317 12.2317 12.4350 12.4350 12.7296 12.7296 k = 0.4623 0.2669-0.0000 ( 4856 PWs) bands (ev): -45.2884 -45.2884 -45.2881 -45.2881 -22.8942 -22.8942 -22.8942 -22.8942 -20.8702 -20.8702 -20.8701 -20.8701 -20.7256 -20.7256 -20.7256 -20.7256 -2.8794 -2.8794 -2.7083 -2.7083 -2.6905 -2.6905 -2.4746 -2.4746 4.2861 4.2861 4.4069 4.4069 4.9564 4.9564 5.6828 5.6828 6.0262 6.0262 6.1392 6.1392 7.0148 7.0148 7.2094 7.2094 7.2345 7.2345 8.5606 8.5606 8.7547 8.7547 9.0502 9.0502 9.1119 9.1119 9.4980 9.4980 12.1576 12.1576 12.2347 12.2347 12.4787 12.4787 12.7146 12.7146 k = 0.4717 0.2723-0.0000 ( 4856 PWs) bands (ev): -45.2882 -45.2882 -45.2880 -45.2880 -22.8948 -22.8948 -22.8947 -22.8947 -20.8713 -20.8713 -20.8712 -20.8712 -20.7256 -20.7256 -20.7256 -20.7256 -2.8648 -2.8648 -2.7008 -2.7008 -2.6827 -2.6827 -2.4731 -2.4731 4.2728 4.2728 4.3890 4.3890 4.9414 4.9414 5.6675 5.6675 6.0365 6.0365 6.1290 6.1290 7.0078 7.0078 7.2034 7.2034 7.2298 7.2298 8.5640 8.5640 8.7537 8.7537 9.0539 9.0539 9.1209 9.1209 9.5056 9.5056 12.1649 12.1649 12.2370 12.2370 12.5201 12.5201 12.6971 12.6971 k = 0.4811 0.2778-0.0000 ( 4850 PWs) bands (ev): -45.2881 -45.2881 -45.2879 -45.2879 -22.8951 -22.8951 -22.8951 -22.8951 -20.8720 -20.8720 -20.8720 -20.8720 -20.7256 -20.7256 -20.7256 -20.7256 -2.8541 -2.8541 -2.6956 -2.6956 -2.6770 -2.6770 -2.4722 -2.4722 4.2631 4.2631 4.3762 4.3762 4.9306 4.9306 5.6565 5.6565 6.0454 6.0454 6.1201 6.1201 7.0028 7.0028 7.1991 7.1991 7.2265 7.2265 8.5664 8.5664 8.7528 8.7528 9.0566 9.0566 9.1278 9.1278 9.5112 9.5112 12.1703 12.1703 12.2387 12.2387 12.5586 12.5586 12.6766 12.6766 k = 0.4906 0.2832-0.0000 ( 4850 PWs) bands (ev): -45.2880 -45.2880 -45.2878 -45.2878 -22.8954 -22.8954 -22.8954 -22.8954 -20.8725 -20.8725 -20.8725 -20.8725 -20.7256 -20.7256 -20.7256 -20.7256 -2.8476 -2.8476 -2.6925 -2.6925 -2.6736 -2.6736 -2.4716 -2.4716 4.2573 4.2573 4.3684 4.3684 4.9241 4.9241 5.6499 5.6499 6.0519 6.0519 6.1136 6.1136 6.9997 6.9997 7.1964 7.1964 7.2246 7.2246 8.5679 8.5679 8.7523 8.7523 9.0583 9.0583 9.1321 9.1321 9.5145 9.5145 12.1735 12.1735 12.2397 12.2397 12.5937 12.5937 12.6527 12.6527 k = 0.5000 0.2887-0.0000 ( 4844 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8955 -22.8955 -22.8954 -22.8954 -20.8727 -20.8727 -20.8726 -20.8726 -20.7256 -20.7256 -20.7256 -20.7256 -2.8455 -2.8455 -2.6914 -2.6914 -2.6724 -2.6724 -2.4715 -2.4715 4.2553 4.2553 4.3659 4.3659 4.9220 4.9220 5.6477 5.6477 6.0543 6.0543 6.1111 6.1111 6.9987 6.9987 7.1955 7.1955 7.2240 7.2240 8.5684 8.5684 8.7521 8.7521 9.0589 9.0589 9.1335 9.1335 9.5156 9.5156 12.1746 12.1746 12.2401 12.2401 12.6240 12.6240 12.6262 12.6262 k = 0.5000 0.2887-0.0000 ( 4844 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8955 -22.8955 -22.8954 -22.8954 -20.8727 -20.8727 -20.8726 -20.8726 -20.7256 -20.7256 -20.7256 -20.7256 -2.8455 -2.8455 -2.6914 -2.6914 -2.6724 -2.6724 -2.4715 -2.4715 4.2553 4.2553 4.3659 4.3659 4.9220 4.9220 5.6477 5.6477 6.0543 6.0543 6.1111 6.1111 6.9987 6.9987 7.1955 7.1955 7.2240 7.2240 8.5684 8.5684 8.7521 8.7521 9.0589 9.0589 9.1335 9.1335 9.5156 9.5156 12.1746 12.1746 12.2401 12.2401 12.6240 12.6240 12.6262 12.6262 k = 0.4946 0.2980-0.0000 ( 4848 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8960 -22.8960 -22.8949 -22.8949 -20.8734 -20.8734 -20.8719 -20.8719 -20.7257 -20.7257 -20.7257 -20.7257 -2.8450 -2.8450 -2.6911 -2.6911 -2.6721 -2.6721 -2.4713 -2.4713 4.2570 4.2570 4.3671 4.3671 4.9221 4.9221 5.6462 5.6462 6.0552 6.0552 6.1111 6.1111 6.9968 6.9968 7.1831 7.1831 7.2374 7.2374 8.5570 8.5570 8.7480 8.7480 9.0382 9.0382 9.1523 9.1523 9.5218 9.5218 12.1736 12.1736 12.2403 12.2403 12.6196 12.6196 12.6325 12.6325 k = 0.4892 0.3073-0.0000 ( 4844 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8966 -22.8966 -22.8944 -22.8944 -20.8741 -20.8741 -20.8710 -20.8710 -20.7260 -20.7260 -20.7260 -20.7260 -2.8435 -2.8435 -2.6899 -2.6899 -2.6710 -2.6710 -2.4708 -2.4708 4.2620 4.2620 4.3709 4.3709 4.9226 4.9226 5.6417 5.6417 6.0578 6.0578 6.1112 6.1112 6.9912 6.9912 7.1636 7.1636 7.2598 7.2598 8.5240 8.5240 8.7352 8.7352 8.9992 8.9992 9.1863 9.1863 9.5394 9.5394 12.1707 12.1707 12.2408 12.2408 12.6145 12.6145 12.6433 12.6433 k = 0.4839 0.3166-0.0000 ( 4850 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8973 -22.8973 -22.8939 -22.8939 -20.8747 -20.8747 -20.8701 -20.8701 -20.7265 -20.7265 -20.7265 -20.7265 -2.8411 -2.8411 -2.6881 -2.6881 -2.6692 -2.6692 -2.4701 -2.4701 4.2703 4.2703 4.3772 4.3772 4.9234 4.9234 5.6343 5.6343 6.0622 6.0622 6.1115 6.1115 6.9820 6.9820 7.1446 7.1446 7.2836 7.2836 8.4720 8.4720 8.7125 8.7125 8.9567 8.9567 9.2220 9.2220 9.5659 9.5659 12.1660 12.1660 12.2415 12.2415 12.6087 12.6087 12.6583 12.6583 k = 0.4785 0.3259-0.0000 ( 4852 PWs) bands (ev): -45.2879 -45.2879 -45.2877 -45.2877 -22.8979 -22.8979 -22.8934 -22.8934 -20.8753 -20.8753 -20.8691 -20.8691 -20.7272 -20.7272 -20.7271 -20.7271 -2.8377 -2.8377 -2.6855 -2.6855 -2.6667 -2.6667 -2.4690 -2.4690 4.2819 4.2819 4.3860 4.3860 4.9244 4.9244 5.6239 5.6239 6.0682 6.0682 6.1118 6.1118 6.9692 6.9692 7.1272 7.1272 7.3077 7.3077 8.4045 8.4045 8.6784 8.6784 8.9152 8.9152 9.2570 9.2570 9.5980 9.5980 12.1596 12.1596 12.2424 12.2424 12.6018 12.6018 12.6779 12.6779 k = 0.4731 0.3352-0.0000 ( 4856 PWs) bands (ev): -45.2878 -45.2878 -45.2877 -45.2877 -22.8986 -22.8986 -22.8930 -22.8930 -20.8758 -20.8758 -20.8680 -20.8680 -20.7280 -20.7280 -20.7280 -20.7280 -2.8334 -2.8334 -2.6822 -2.6822 -2.6636 -2.6636 -2.4677 -2.4677 4.2968 4.2968 4.3972 4.3972 4.9257 4.9257 5.6107 5.6107 6.0758 6.0758 6.1122 6.1122 6.9532 6.9532 7.1119 7.1119 7.3316 7.3316 8.3247 8.3247 8.6320 8.6320 8.8763 8.8763 9.2909 9.2909 9.6332 9.6332 12.1517 12.1517 12.2433 12.2433 12.5937 12.5937 12.7019 12.7019 k = 0.4677 0.3445-0.0000 ( 4860 PWs) bands (ev): -45.2878 -45.2878 -45.2877 -45.2877 -22.8993 -22.8993 -22.8927 -22.8927 -20.8763 -20.8763 -20.8669 -20.8669 -20.7291 -20.7291 -20.7290 -20.7290 -2.8282 -2.8282 -2.6782 -2.6782 -2.6598 -2.6598 -2.4661 -2.4661 4.3149 4.3149 4.4109 4.4109 4.9272 4.9272 5.5948 5.5948 6.0848 6.0848 6.1128 6.1128 6.9342 6.9342 7.0989 7.0989 7.3549 7.3549 8.2352 8.2352 8.5738 8.5738 8.8404 8.8404 9.3237 9.3237 9.6693 9.6693 12.1424 12.1424 12.2441 12.2441 12.5848 12.5848 12.7298 12.7298 k = 0.4624 0.3539-0.0000 ( 4850 PWs) bands (ev): -45.2877 -45.2877 -45.2875 -45.2875 -22.9001 -22.9001 -22.8923 -22.8923 -20.8767 -20.8767 -20.8657 -20.8657 -20.7304 -20.7304 -20.7301 -20.7301 -2.8221 -2.8221 -2.6736 -2.6736 -2.6553 -2.6553 -2.4643 -2.4643 4.3362 4.3362 4.4271 4.4271 4.9288 4.9288 5.5762 5.5762 6.0948 6.0948 6.1140 6.1140 6.9128 6.9128 7.0884 7.0884 7.3772 7.3772 8.1384 8.1384 8.5054 8.5054 8.8063 8.8063 9.3556 9.3556 9.7049 9.7049 12.1317 12.1317 12.2443 12.2443 12.5756 12.5756 12.7612 12.7612 k = 0.4570 0.3632-0.0000 ( 4850 PWs) bands (ev): -45.2876 -45.2876 -45.2874 -45.2874 -22.9008 -22.9008 -22.8920 -22.8920 -20.8771 -20.8771 -20.8645 -20.8645 -20.7319 -20.7319 -20.7314 -20.7314 -2.8151 -2.8151 -2.6684 -2.6684 -2.6502 -2.6502 -2.4622 -2.4622 4.3607 4.3607 4.4456 4.4456 4.9305 4.9305 5.5552 5.5552 6.1037 6.1037 6.1176 6.1176 6.8893 6.8893 7.0805 7.0805 7.3979 7.3979 8.0362 8.0362 8.4285 8.4285 8.7727 8.7727 9.3867 9.3867 9.7390 9.7390 12.1196 12.1196 12.2433 12.2433 12.5668 12.5668 12.7956 12.7956 k = 0.4516 0.3725-0.0000 ( 4860 PWs) bands (ev): -45.2875 -45.2875 -45.2874 -45.2874 -22.9016 -22.9016 -22.8918 -22.8918 -20.8774 -20.8774 -20.8632 -20.8632 -20.7335 -20.7335 -20.7328 -20.7328 -2.8073 -2.8073 -2.6627 -2.6627 -2.6445 -2.6445 -2.4600 -2.4600 4.3883 4.3883 4.4665 4.4665 4.9322 4.9322 5.5320 5.5320 6.1077 6.1077 6.1272 6.1272 6.8642 6.8642 7.0753 7.0753 7.4162 7.4162 7.9307 7.9307 8.3449 8.3449 8.7384 8.7384 9.4174 9.4174 9.7712 9.7712 12.1060 12.1060 12.2404 12.2404 12.5593 12.5593 12.8325 12.8325 k = 0.4462 0.3818-0.0000 ( 4866 PWs) bands (ev): -45.2874 -45.2874 -45.2873 -45.2873 -22.9023 -22.9023 -22.8915 -22.8915 -20.8778 -20.8778 -20.8619 -20.8619 -20.7353 -20.7353 -20.7343 -20.7343 -2.7988 -2.7988 -2.6565 -2.6565 -2.6383 -2.6383 -2.4576 -2.4576 4.4190 4.4190 4.4898 4.4898 4.9339 4.9339 5.5066 5.5066 6.1085 6.1085 6.1411 6.1411 6.8381 6.8381 7.0726 7.0726 7.4306 7.4306 7.8244 7.8244 8.2559 8.2559 8.7026 8.7026 9.4480 9.4480 9.8012 9.8012 12.0907 12.0907 12.2347 12.2347 12.5542 12.5542 12.8712 12.8712 k = 0.4409 0.3911-0.0000 ( 4874 PWs) bands (ev): -45.2874 -45.2874 -45.2872 -45.2872 -22.9031 -22.9031 -22.8913 -22.8913 -20.8781 -20.8781 -20.8605 -20.8605 -20.7372 -20.7372 -20.7358 -20.7358 -2.7896 -2.7896 -2.6498 -2.6498 -2.6315 -2.6315 -2.4551 -2.4551 4.4525 4.4525 4.5155 4.5155 4.9354 4.9354 5.4795 5.4795 6.1082 6.1082 6.1570 6.1570 6.8114 6.8114 7.0726 7.0726 7.4371 7.4371 7.7221 7.7221 8.1627 8.1627 8.6650 8.6650 9.4787 9.4787 9.8292 9.8292 12.0738 12.0738 12.2252 12.2252 12.5527 12.5527 12.9113 12.9113 k = 0.4355 0.4004-0.0000 ( 4872 PWs) bands (ev): -45.2872 -45.2872 -45.2871 -45.2871 -22.9039 -22.9039 -22.8912 -22.8912 -20.8784 -20.8784 -20.8591 -20.8591 -20.7393 -20.7393 -20.7375 -20.7375 -2.7797 -2.7797 -2.6427 -2.6427 -2.6242 -2.6242 -2.4525 -2.4525 4.4888 4.4888 4.5435 4.5435 4.9367 4.9367 5.4508 5.4508 6.1071 6.1071 6.1742 6.1742 6.7844 6.7844 7.0751 7.0751 7.4247 7.4247 7.6354 7.6354 8.0660 8.0660 8.6253 8.6253 9.5097 9.5097 9.8552 9.8552 12.0551 12.0551 12.2112 12.2112 12.5556 12.5556 12.9520 12.9520 k = 0.4301 0.4097-0.0000 ( 4872 PWs) bands (ev): -45.2871 -45.2871 -45.2870 -45.2870 -22.9047 -22.9047 -22.8911 -22.8911 -20.8786 -20.8786 -20.8576 -20.8576 -20.7414 -20.7414 -20.7391 -20.7391 -2.7692 -2.7692 -2.6354 -2.6354 -2.6164 -2.6164 -2.4499 -2.4499 4.5276 4.5276 4.5740 4.5740 4.9377 4.9377 5.4209 5.4209 6.1054 6.1054 6.1925 6.1925 6.7578 6.7578 7.0800 7.0800 7.3735 7.3735 7.5853 7.5853 7.9669 7.9669 8.5834 8.5834 9.5413 9.5413 9.8796 9.8796 12.0345 12.0345 12.1923 12.1923 12.5635 12.5635 12.9923 12.9923 k = 0.4247 0.4190-0.0000 ( 4874 PWs) bands (ev): -45.2869 -45.2869 -45.2868 -45.2868 -22.9055 -22.9055 -22.8910 -22.8910 -20.8789 -20.8789 -20.8561 -20.8561 -20.7437 -20.7437 -20.7408 -20.7408 -2.7582 -2.7582 -2.6278 -2.6278 -2.6083 -2.6083 -2.4474 -2.4474 4.5685 4.5685 4.6074 4.6074 4.9384 4.9384 5.3900 5.3900 6.1029 6.1029 6.2116 6.2116 6.7318 6.7318 7.0867 7.0867 7.2851 7.2851 7.5710 7.5710 7.8661 7.8661 8.5393 8.5393 9.5736 9.5736 9.9025 9.9025 12.0120 12.0120 12.1684 12.1684 12.5765 12.5765 13.0299 13.0299 k = 0.4194 0.4284-0.0000 ( 4862 PWs) bands (ev): -45.2868 -45.2868 -45.2865 -45.2865 -22.9062 -22.9062 -22.8909 -22.8909 -20.8792 -20.8792 -20.8546 -20.8546 -20.7460 -20.7460 -20.7425 -20.7425 -2.7468 -2.7468 -2.6200 -2.6200 -2.5998 -2.5998 -2.4448 -2.4448 4.6106 4.6106 4.6442 4.6442 4.9387 4.9387 5.3584 5.3584 6.0995 6.0995 6.2313 6.2313 6.7068 6.7068 7.0919 7.0919 7.1837 7.1837 7.5720 7.5720 7.7643 7.7643 8.4933 8.4933 9.6066 9.6066 9.9244 9.9244 11.9877 11.9877 12.1400 12.1400 12.5945 12.5945 13.0556 13.0556 k = 0.4140 0.4377-0.0000 ( 4859 PWs) bands (ev): -45.2866 -45.2866 -45.2864 -45.2864 -22.9070 -22.9070 -22.8909 -22.8909 -20.8794 -20.8794 -20.8531 -20.8531 -20.7484 -20.7484 -20.7442 -20.7442 -2.7350 -2.7350 -2.6122 -2.6122 -2.5909 -2.5909 -2.4424 -2.4424 4.6528 4.6528 4.6855 4.6855 4.9385 4.9385 5.3265 5.3265 6.0951 6.0951 6.2514 6.2514 6.6831 6.6831 7.0501 7.0501 7.1260 7.1260 7.5775 7.5775 7.6627 7.6627 8.4455 8.4455 9.6406 9.6406 9.9455 9.9455 11.9615 11.9615 12.1077 12.1077 12.6168 12.6168 13.0523 13.0523 k = 0.4086 0.4470-0.0000 ( 4859 PWs) bands (ev): -45.2865 -45.2865 -45.2862 -45.2862 -22.9077 -22.9077 -22.8909 -22.8909 -20.8797 -20.8797 -20.8516 -20.8516 -20.7508 -20.7508 -20.7459 -20.7459 -2.7228 -2.7228 -2.6045 -2.6045 -2.5818 -2.5818 -2.4402 -2.4402 4.6941 4.6941 4.7317 4.7317 4.9380 4.9380 5.2946 5.2946 6.0895 6.0895 6.2715 6.2715 6.6611 6.6611 6.9440 6.9440 7.1333 7.1333 7.5568 7.5568 7.5890 7.5890 8.3960 8.3960 9.6754 9.6754 9.9661 9.9661 11.9336 11.9336 12.0720 12.0720 12.6432 12.6432 13.0360 13.0360 k = 0.4032 0.4563-0.0000 ( 4859 PWs) bands (ev): -45.2863 -45.2863 -45.2861 -45.2861 -22.9084 -22.9084 -22.8909 -22.8909 -20.8800 -20.8800 -20.8501 -20.8501 -20.7532 -20.7532 -20.7475 -20.7475 -2.7105 -2.7105 -2.5968 -2.5968 -2.5725 -2.5725 -2.4382 -2.4382 4.7351 4.7351 4.7822 4.7822 4.9372 4.9372 5.2631 5.2631 6.0823 6.0823 6.2912 6.2912 6.6408 6.6408 6.8326 6.8326 7.1488 7.1488 7.4589 7.4589 7.5939 7.5939 8.3453 8.3453 9.7110 9.7110 9.9866 9.9866 11.9043 11.9043 12.0337 12.0337 12.6730 12.6730 13.0183 13.0183 k = 0.3978 0.4656-0.0000 ( 4867 PWs) bands (ev): -45.2862 -45.2862 -45.2860 -45.2860 -22.9091 -22.9091 -22.8910 -22.8910 -20.8803 -20.8803 -20.8487 -20.8487 -20.7556 -20.7556 -20.7490 -20.7490 -2.6981 -2.6981 -2.5894 -2.5894 -2.5630 -2.5630 -2.4365 -2.4365 4.7763 4.7763 4.8355 4.8355 4.9368 4.9368 5.2322 5.2322 6.0734 6.0734 6.3095 6.3095 6.6219 6.6219 6.7232 6.7232 7.1669 7.1669 7.3610 7.3610 7.6003 7.6003 8.2936 8.2936 9.7472 9.7472 10.0070 10.0070 11.8737 11.8737 11.9933 11.9933 12.7059 12.7059 13.0015 13.0015 k = 0.3925 0.4749-0.0000 ( 4869 PWs) bands (ev): -45.2860 -45.2860 -45.2859 -45.2859 -22.9098 -22.9098 -22.8910 -22.8910 -20.8806 -20.8806 -20.8473 -20.8473 -20.7580 -20.7580 -20.7505 -20.7505 -2.6857 -2.6857 -2.5823 -2.5823 -2.5535 -2.5535 -2.4351 -2.4351 4.8180 4.8180 4.8879 4.8879 4.9399 4.9399 5.2024 5.2024 6.0624 6.0624 6.3244 6.3244 6.5969 6.5969 6.6270 6.6270 7.1863 7.1863 7.2664 7.2664 7.6062 7.6062 8.2412 8.2412 9.7838 9.7838 10.0276 10.0276 11.8422 11.8422 11.9514 11.9514 12.7414 12.7414 12.9862 12.9862 k = 0.3871 0.4842-0.0000 ( 4869 PWs) bands (ev): -45.2859 -45.2859 -45.2858 -45.2858 -22.9104 -22.9104 -22.8911 -22.8911 -20.8809 -20.8809 -20.8459 -20.8459 -20.7603 -20.7603 -20.7518 -20.7518 -2.6734 -2.6734 -2.5756 -2.5756 -2.5438 -2.5438 -2.4341 -2.4341 4.8599 4.8599 4.9175 4.9175 4.9685 4.9685 5.1739 5.1739 6.0488 6.0488 6.3295 6.3295 6.5182 6.5182 6.5984 6.5984 7.1699 7.1699 7.2129 7.2129 7.6115 7.6115 8.1885 8.1885 9.8205 9.8205 10.0485 10.0485 11.8102 11.8102 11.9088 11.9088 12.7792 12.7792 12.9729 12.9729 k = 0.3817 0.4935-0.0000 ( 4861 PWs) bands (ev): -45.2857 -45.2857 -45.2856 -45.2856 -22.9110 -22.9110 -22.8912 -22.8912 -20.8812 -20.8812 -20.8447 -20.8447 -20.7624 -20.7624 -20.7531 -20.7531 -2.6612 -2.6612 -2.5694 -2.5694 -2.5342 -2.5342 -2.4336 -2.4336 4.8991 4.8991 4.9240 4.9240 5.0254 5.0254 5.1471 5.1471 6.0320 6.0320 6.3047 6.3047 6.4573 6.4573 6.5868 6.5868 7.0850 7.0850 7.2335 7.2335 7.6163 7.6163 8.1359 8.1359 9.8569 9.8569 10.0696 10.0696 11.7781 11.7781 11.8661 11.8661 12.8188 12.8188 12.9615 12.9615 k = 0.3763 0.5029-0.0000 ( 4867 PWs) bands (ev): -45.2857 -45.2857 -45.2855 -45.2855 -22.9116 -22.9116 -22.8913 -22.8913 -20.8816 -20.8816 -20.8435 -20.8435 -20.7645 -20.7645 -20.7542 -20.7542 -2.6495 -2.6495 -2.5639 -2.5639 -2.5247 -2.5247 -2.4336 -2.4336 4.9120 4.9120 4.9523 4.9523 5.0880 5.0880 5.1232 5.1232 6.0115 6.0115 6.2359 6.2359 6.4420 6.4420 6.5788 6.5788 7.0039 7.0039 7.2566 7.2566 7.6209 7.6209 8.0837 8.0837 9.8924 9.8924 10.0908 10.0908 11.7466 11.7466 11.8240 11.8240 12.8596 12.8596 12.9521 12.9521 k = 0.3710 0.5122-0.0000 ( 4863 PWs) bands (ev): -45.2856 -45.2856 -45.2853 -45.2853 -22.9121 -22.9121 -22.8915 -22.8915 -20.8819 -20.8819 -20.8424 -20.8424 -20.7663 -20.7663 -20.7552 -20.7552 -2.6382 -2.6382 -2.5590 -2.5590 -2.5153 -2.5153 -2.4341 -2.4341 4.9099 4.9099 4.9943 4.9943 5.0985 5.0985 5.1567 5.1567 5.9865 5.9865 6.1485 6.1485 6.4478 6.4478 6.5739 6.5739 6.9292 6.9292 7.2799 7.2799 7.6259 7.6259 8.0324 8.0324 9.9263 9.9263 10.1119 10.1119 11.7161 11.7161 11.7833 11.7833 12.9003 12.9003 12.9451 12.9451 k = 0.3656 0.5215-0.0000 ( 4867 PWs) bands (ev): -45.2855 -45.2855 -45.2852 -45.2852 -22.9126 -22.9126 -22.8916 -22.8916 -20.8822 -20.8822 -20.8415 -20.8415 -20.7680 -20.7680 -20.7561 -20.7561 -2.6276 -2.6276 -2.5549 -2.5549 -2.5061 -2.5061 -2.4353 -2.4353 4.9061 4.9061 5.0365 5.0365 5.0799 5.0799 5.2250 5.2250 5.9558 5.9558 6.0598 6.0598 6.4588 6.4588 6.5721 6.5721 6.8621 6.8621 7.3026 7.3026 7.6318 7.6318 7.9824 7.9824 9.9579 9.9579 10.1327 10.1327 11.6874 11.6874 11.7449 11.7449 12.9305 12.9305 12.9478 12.9478 k = 0.3602 0.5308-0.0000 ( 4869 PWs) bands (ev): -45.2853 -45.2853 -45.2852 -45.2852 -22.9130 -22.9130 -22.8917 -22.8917 -20.8826 -20.8826 -20.8407 -20.8407 -20.7695 -20.7695 -20.7568 -20.7568 -2.6177 -2.6177 -2.5517 -2.5517 -2.4972 -2.4972 -2.4372 -2.4372 4.9018 4.9018 5.0574 5.0574 5.0843 5.0843 5.2954 5.2954 5.9164 5.9164 5.9776 5.9776 6.4698 6.4698 6.5736 6.5736 6.8034 6.8034 7.3238 7.3238 7.6396 7.6396 7.9341 7.9341 9.9864 9.9864 10.1527 10.1527 11.6611 11.6611 11.7098 11.7098 12.9303 12.9303 12.9528 12.9528 k = 0.3548 0.5401-0.0000 ( 4869 PWs) bands (ev): -45.2853 -45.2853 -45.2851 -45.2851 -22.9133 -22.9133 -22.8918 -22.8918 -20.8828 -20.8828 -20.8400 -20.8400 -20.7707 -20.7707 -20.7574 -20.7574 -2.6089 -2.6089 -2.5493 -2.5493 -2.4885 -2.4885 -2.4398 -2.4398 4.8975 4.8975 5.0453 5.0453 5.1227 5.1227 5.3671 5.3671 5.8609 5.8609 5.9121 5.9121 6.4792 6.4792 6.5780 6.5780 6.7537 6.7537 7.3424 7.3424 7.6501 7.6501 7.8880 7.8880 10.0110 10.0110 10.1711 10.1711 11.6380 11.6380 11.6790 11.6790 12.9271 12.9271 12.9405 12.9405 k = 0.3495 0.5494-0.0000 ( 4861 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9136 -22.9136 -22.8919 -22.8919 -20.8831 -20.8831 -20.8395 -20.8395 -20.7716 -20.7716 -20.7578 -20.7578 -2.6014 -2.6014 -2.5477 -2.5477 -2.4803 -2.4803 -2.4431 -2.4431 4.8935 4.8935 5.0344 5.0344 5.1596 5.1596 5.4397 5.4397 5.7936 5.7936 5.8617 5.8617 6.4861 6.4861 6.5850 6.5850 6.7136 6.7136 7.3576 7.3576 7.6643 7.6643 7.8447 7.8447 10.0310 10.0310 10.1873 10.1873 11.6187 11.6187 11.6537 11.6537 12.9245 12.9245 12.9300 12.9300 k = 0.3441 0.5587-0.0000 ( 4865 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9138 -22.9138 -22.8919 -22.8919 -20.8833 -20.8833 -20.8392 -20.8392 -20.7723 -20.7723 -20.7581 -20.7581 -2.5955 -2.5955 -2.5468 -2.5468 -2.4725 -2.4725 -2.4473 -2.4473 4.8902 4.8902 5.0265 5.0265 5.1908 5.1908 5.5117 5.5117 5.7303 5.7303 5.8152 5.8152 6.4906 6.4906 6.5930 6.5930 6.6836 6.6836 7.3686 7.3686 7.6828 7.6828 7.8046 7.8046 10.0457 10.0457 10.2000 10.2000 11.6040 11.6040 11.6349 11.6349 12.9224 12.9224 12.9229 12.9229 k = 0.3387 0.5680-0.0000 ( 4869 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9139 -22.9139 -22.8920 -22.8920 -20.8834 -20.8834 -20.8390 -20.8390 -20.7727 -20.7727 -20.7583 -20.7583 -2.5917 -2.5917 -2.5465 -2.5465 -2.4652 -2.4652 -2.4524 -2.4524 4.8879 4.8879 5.0217 5.0217 5.2127 5.2127 5.5786 5.5786 5.6802 5.6802 5.7720 5.7720 6.4929 6.4929 6.5998 6.5998 6.6647 6.6647 7.3750 7.3750 7.7057 7.7057 7.7684 7.7684 10.0546 10.0546 10.2084 10.2084 11.5947 11.5947 11.6232 11.6232 12.9192 12.9192 12.9207 12.9207 k = 0.3333 0.5774-0.0000 ( 4857 PWs) bands (ev): -45.2850 -45.2850 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8871 4.8871 5.0202 5.0202 5.2209 5.2209 5.6132 5.6132 5.6603 5.6603 5.7474 5.7474 6.4935 6.4935 6.6023 6.6023 6.6586 6.6586 7.3771 7.3771 7.7269 7.7269 7.7429 7.7429 10.0576 10.0576 10.2114 10.2114 11.5915 11.5915 11.6193 11.6193 12.9191 12.9191 12.9192 12.9192 k = 0.3333 0.5774-0.0000 ( 4857 PWs) bands (ev): -45.2850 -45.2850 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8871 4.8871 5.0202 5.0202 5.2209 5.2209 5.6132 5.6132 5.6603 5.6603 5.7474 5.7474 6.4935 6.4935 6.6023 6.6023 6.6586 6.6586 7.3771 7.3771 7.7269 7.7269 7.7429 7.7429 10.0576 10.0576 10.2114 10.2114 11.5915 11.5915 11.6193 11.6193 12.9191 12.9191 12.9192 12.9192 k = 0.3279 0.5679-0.0000 ( 4869 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9139 -22.9139 -22.8920 -22.8920 -20.8834 -20.8834 -20.8390 -20.8390 -20.7727 -20.7727 -20.7583 -20.7583 -2.5918 -2.5918 -2.5465 -2.5465 -2.4655 -2.4655 -2.4522 -2.4522 4.8881 4.8881 5.0218 5.0218 5.2121 5.2121 5.5968 5.5968 5.6525 5.6525 5.7823 5.7823 6.4931 6.4931 6.6006 6.6006 6.6634 6.6634 7.3752 7.3752 7.7055 7.7055 7.7688 7.7688 10.0545 10.0545 10.2081 10.2081 11.5948 11.5948 11.6235 11.6235 12.9174 12.9174 12.9224 12.9224 k = 0.3224 0.5584-0.0000 ( 4863 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9138 -22.9138 -22.8919 -22.8919 -20.8832 -20.8832 -20.8391 -20.8391 -20.7723 -20.7723 -20.7582 -20.7582 -2.5964 -2.5964 -2.5468 -2.5468 -2.4736 -2.4736 -2.4466 -2.4466 4.8913 4.8913 5.0265 5.0265 5.1874 5.1874 5.5634 5.5634 5.6481 5.6481 5.8507 5.8507 6.4926 6.4926 6.5982 6.5982 6.6746 6.6746 7.3698 7.3698 7.6828 7.6828 7.8049 7.8049 10.0454 10.0454 10.1981 10.1981 11.6043 11.6043 11.6363 11.6363 12.9154 12.9154 12.9287 12.9287 k = 0.3169 0.5490-0.0000 ( 4867 PWs) bands (ev): -45.2852 -45.2852 -45.2851 -45.2851 -22.9135 -22.9135 -22.8918 -22.8918 -20.8829 -20.8829 -20.8393 -20.8393 -20.7717 -20.7717 -20.7579 -20.7579 -2.6039 -2.6039 -2.5476 -2.5476 -2.4827 -2.4827 -2.4417 -2.4417 4.8971 4.8971 5.0344 5.0344 5.1521 5.1521 5.5189 5.5189 5.6632 5.6632 5.9254 5.9254 6.4927 6.4927 6.5970 6.5970 6.6889 6.6889 7.3617 7.3617 7.6652 7.6652 7.8445 7.8445 10.0304 10.0304 10.1815 10.1815 11.6190 11.6190 11.6581 11.6581 12.9126 12.9126 12.9378 12.9378 k = 0.3115 0.5395-0.0000 ( 4871 PWs) bands (ev): -45.2853 -45.2853 -45.2852 -45.2852 -22.9132 -22.9132 -22.8917 -22.8917 -20.8825 -20.8825 -20.8396 -20.8396 -20.7709 -20.7709 -20.7575 -20.7575 -2.6141 -2.6141 -2.5492 -2.5492 -2.4928 -2.4928 -2.4376 -2.4376 4.9057 4.9057 5.0449 5.0449 5.1120 5.1120 5.4716 5.4716 5.6897 5.6897 6.0006 6.0006 6.4938 6.4938 6.5978 6.5978 6.7051 6.7051 7.3515 7.3515 7.6530 7.6530 7.8868 7.8868 10.0101 10.0101 10.1586 10.1586 11.6377 11.6377 11.6884 11.6884 12.9089 12.9089 12.9478 12.9478 k = 0.3060 0.5300-0.0000 ( 4873 PWs) bands (ev): -45.2854 -45.2854 -45.2853 -45.2853 -22.9128 -22.9128 -22.8915 -22.8915 -20.8819 -20.8819 -20.8398 -20.8398 -20.7699 -20.7699 -20.7570 -20.7570 -2.6269 -2.6269 -2.5521 -2.5521 -2.5040 -2.5040 -2.4343 -2.4343 4.9172 4.9172 5.0538 5.0538 5.0754 5.0754 5.4249 5.4249 5.7216 5.7216 6.0737 6.0737 6.4963 6.4963 6.6015 6.6015 6.7231 6.7231 7.3398 7.3398 7.6464 7.6464 7.9312 7.9312 9.9851 9.9851 10.1303 10.1303 11.6593 11.6593 11.7267 11.7267 12.9037 12.9037 12.9434 12.9434 k = 0.3005 0.5206-0.0000 ( 4873 PWs) bands (ev): -45.2856 -45.2856 -45.2854 -45.2854 -22.9122 -22.9122 -22.8912 -22.8912 -20.8812 -20.8812 -20.8400 -20.8400 -20.7687 -20.7687 -20.7565 -20.7565 -2.6422 -2.6422 -2.5565 -2.5565 -2.5162 -2.5162 -2.4318 -2.4318 4.9314 4.9314 5.0259 5.0259 5.0801 5.0801 5.3806 5.3806 5.7555 5.7555 6.1426 6.1426 6.4996 6.4996 6.6100 6.6100 6.7430 6.7430 7.3273 7.3273 7.6452 7.6452 7.9774 7.9774 9.9558 9.9558 10.0976 10.0976 11.6824 11.6824 11.7716 11.7716 12.8912 12.8912 12.9036 12.9036 k = 0.2951 0.5111-0.0000 ( 4881 PWs) bands (ev): -45.2858 -45.2858 -45.2856 -45.2856 -22.9116 -22.9116 -22.8908 -22.8908 -20.8802 -20.8802 -20.8402 -20.8402 -20.7675 -20.7675 -20.7558 -20.7558 -2.6598 -2.6598 -2.5625 -2.5625 -2.5295 -2.5295 -2.4302 -2.4302 4.9462 4.9462 4.9915 4.9915 5.0996 5.0996 5.3394 5.3394 5.7893 5.7893 6.2046 6.2046 6.5027 6.5027 6.6263 6.6263 6.7651 6.7651 7.3144 7.3144 7.6490 7.6490 8.0251 8.0251 9.9228 9.9228 10.0616 10.0616 11.7056 11.7056 11.8221 11.8221 12.8415 12.8415 12.8913 12.8913 k = 0.2896 0.5016-0.0000 ( 4875 PWs) bands (ev): -45.2859 -45.2859 -45.2858 -45.2858 -22.9108 -22.9108 -22.8904 -22.8904 -20.8791 -20.8791 -20.8402 -20.8402 -20.7661 -20.7661 -20.7551 -20.7551 -2.6798 -2.6798 -2.5704 -2.5704 -2.5438 -2.5438 -2.4295 -2.4295 4.9415 4.9415 4.9827 4.9827 5.1227 5.1227 5.3020 5.3020 5.8215 5.8215 6.2572 6.2572 6.5043 6.5043 6.6541 6.6541 6.7898 6.7898 7.3016 7.3016 7.6577 7.6577 8.0739 8.0739 9.8868 9.8868 10.0233 10.0233 11.7274 11.7274 11.8770 11.8770 12.7884 12.7884 12.8812 12.8812 k = 0.2842 0.4922-0.0000 ( 4873 PWs) bands (ev): -45.2861 -45.2861 -45.2860 -45.2860 -22.9099 -22.9099 -22.8899 -22.8899 -20.8778 -20.8778 -20.8401 -20.8401 -20.7646 -20.7646 -20.7544 -20.7544 -2.7020 -2.7020 -2.5802 -2.5802 -2.5590 -2.5590 -2.4296 -2.4296 4.9139 4.9139 5.0039 5.0039 5.1488 5.1488 5.2689 5.2689 5.8510 5.8510 6.2989 6.2989 6.5036 6.5036 6.6955 6.6955 6.8174 6.8174 7.2891 7.2891 7.6708 7.6708 8.1237 8.1237 9.8482 9.8482 9.9838 9.9838 11.7462 11.7462 11.9352 11.9352 12.7375 12.7375 12.8694 12.8694 k = 0.2787 0.4827-0.0000 ( 4885 PWs) bands (ev): -45.2864 -45.2864 -45.2863 -45.2863 -22.9089 -22.9089 -22.8894 -22.8894 -20.8763 -20.8763 -20.8399 -20.8399 -20.7631 -20.7631 -20.7536 -20.7536 -2.7264 -2.7264 -2.5920 -2.5920 -2.5752 -2.5752 -2.4306 -2.4306 4.8868 4.8868 5.0323 5.0323 5.1770 5.1770 5.2413 5.2413 5.8772 5.8772 6.3299 6.3299 6.5008 6.5008 6.7498 6.7498 6.8483 6.8483 7.2772 7.2772 7.6878 7.6878 8.1742 8.1742 9.8075 9.8075 9.9440 9.9440 11.7604 11.7604 11.9956 11.9956 12.6905 12.6905 12.8554 12.8554 k = 0.2732 0.4732-0.0000 ( 4881 PWs) bands (ev): -45.2867 -45.2867 -45.2866 -45.2866 -22.9078 -22.9078 -22.8887 -22.8887 -20.8745 -20.8745 -20.8396 -20.8396 -20.7615 -20.7615 -20.7527 -20.7527 -2.7530 -2.7530 -2.6061 -2.6061 -2.5921 -2.5921 -2.4325 -2.4325 4.8630 4.8630 5.0651 5.0651 5.1992 5.1992 5.2274 5.2274 5.8995 5.8995 6.3521 6.3521 6.4966 6.4966 6.8142 6.8142 6.8827 6.8827 7.2664 7.2664 7.7082 7.7082 8.2253 8.2253 9.7652 9.7652 9.9048 9.9048 11.7687 11.7687 12.0573 12.0573 12.6485 12.6485 12.8394 12.8394 k = 0.2678 0.4638-0.0000 ( 4873 PWs) bands (ev): -45.2869 -45.2869 -45.2868 -45.2868 -22.9065 -22.9065 -22.8880 -22.8880 -20.8726 -20.8726 -20.8391 -20.8391 -20.7598 -20.7598 -20.7518 -20.7518 -2.7817 -2.7817 -2.6223 -2.6223 -2.6098 -2.6098 -2.4354 -2.4354 4.8430 4.8430 5.1018 5.1018 5.1904 5.1904 5.2521 5.2521 5.9175 5.9175 6.3679 6.3679 6.4917 6.4917 6.8855 6.8855 6.9211 6.9211 7.2567 7.2567 7.7318 7.7318 8.2769 8.2769 9.7219 9.7219 9.8666 9.8666 11.7702 11.7702 12.1196 12.1196 12.6120 12.6120 12.8211 12.8211 k = 0.2623 0.4543-0.0000 ( 4857 PWs) bands (ev): -45.2871 -45.2871 -45.2870 -45.2870 -22.9052 -22.9052 -22.8871 -22.8871 -20.8704 -20.8704 -20.8384 -20.8384 -20.7581 -20.7581 -20.7509 -20.7509 -2.8125 -2.8125 -2.6406 -2.6406 -2.6285 -2.6285 -2.4391 -2.4391 4.8270 4.8270 5.1421 5.1421 5.1773 5.1773 5.2890 5.2890 5.9312 5.9312 6.3791 6.3791 6.4870 6.4870 6.9556 6.9556 6.9687 6.9687 7.2485 7.2485 7.7579 7.7579 8.3287 8.3287 9.6781 9.6781 9.8300 9.8300 11.7645 11.7645 12.1816 12.1816 12.5813 12.5813 12.8006 12.8006 k = 0.2568 0.4448-0.0000 ( 4859 PWs) bands (ev): -45.2875 -45.2875 -45.2874 -45.2874 -22.9037 -22.9037 -22.8862 -22.8862 -20.8680 -20.8680 -20.8375 -20.8375 -20.7564 -20.7564 -20.7500 -20.7500 -2.8451 -2.8451 -2.6608 -2.6608 -2.6481 -2.6481 -2.4437 -2.4437 4.8147 4.8147 5.1676 5.1676 5.1867 5.1867 5.3296 5.3296 5.9407 5.9407 6.3869 6.3869 6.4829 6.4829 7.0050 7.0050 7.0429 7.0429 7.2422 7.2422 7.7861 7.7861 8.3806 8.3806 9.6344 9.6344 9.7950 9.7950 11.7518 11.7518 12.2425 12.2425 12.5558 12.5558 12.7780 12.7780 k = 0.2514 0.4354-0.0000 ( 4855 PWs) bands (ev): -45.2879 -45.2879 -45.2878 -45.2878 -22.9021 -22.9021 -22.8852 -22.8852 -20.8654 -20.8654 -20.8364 -20.8364 -20.7547 -20.7547 -20.7490 -20.7490 -2.8797 -2.8797 -2.6827 -2.6827 -2.6689 -2.6689 -2.4492 -2.4492 4.8059 4.8059 5.1634 5.1634 5.2341 5.2341 5.3730 5.3730 5.9461 5.9461 6.3921 6.3921 6.4802 6.4802 7.0535 7.0535 7.1211 7.1211 7.2392 7.2392 7.8162 7.8162 8.4325 8.4325 9.5915 9.5915 9.7619 9.7619 11.7332 11.7332 12.3017 12.3017 12.5345 12.5345 12.7534 12.7534 k = 0.2459 0.4259-0.0000 ( 4857 PWs) bands (ev): -45.2883 -45.2883 -45.2882 -45.2882 -22.9005 -22.9005 -22.8841 -22.8841 -20.8626 -20.8626 -20.8351 -20.8351 -20.7530 -20.7530 -20.7481 -20.7481 -2.9160 -2.9160 -2.7062 -2.7062 -2.6908 -2.6908 -2.4554 -2.4554 4.8005 4.8005 5.1640 5.1640 5.2849 5.2849 5.4189 5.4189 5.9479 5.9479 6.3952 6.3952 6.4793 6.4793 7.1044 7.1044 7.1909 7.1909 7.2473 7.2473 7.8477 7.8477 8.4842 8.4842 9.5498 9.5498 9.7306 9.7306 11.7099 11.7099 12.3584 12.3584 12.5162 12.5162 12.7271 12.7271 k = 0.2404 0.4164-0.0000 ( 4849 PWs) bands (ev): -45.2887 -45.2887 -45.2886 -45.2886 -22.8987 -22.8987 -22.8829 -22.8829 -20.8595 -20.8595 -20.8336 -20.8336 -20.7513 -20.7513 -20.7471 -20.7471 -2.9540 -2.9540 -2.7313 -2.7313 -2.7136 -2.7136 -2.4625 -2.4625 4.7979 4.7979 5.1696 5.1696 5.3389 5.3389 5.4672 5.4672 5.9467 5.9467 6.3961 6.3961 6.4810 6.4810 7.1574 7.1574 7.2178 7.2178 7.3003 7.3003 7.8802 7.8802 8.5357 8.5357 9.5101 9.5101 9.7010 9.7010 11.6834 11.6834 12.4113 12.4113 12.4997 12.4997 12.6992 12.6992 k = 0.2350 0.4070-0.0000 ( 4849 PWs) bands (ev): -45.2892 -45.2892 -45.2891 -45.2891 -22.8968 -22.8968 -22.8817 -22.8817 -20.8563 -20.8563 -20.8319 -20.8319 -20.7497 -20.7497 -20.7461 -20.7461 -2.9935 -2.9935 -2.7581 -2.7581 -2.7373 -2.7373 -2.4704 -2.4704 4.7978 4.7978 5.1802 5.1802 5.3956 5.3956 5.5176 5.5176 5.9431 5.9431 6.3947 6.3947 6.4860 6.4860 7.2083 7.2083 7.2270 7.2270 7.3763 7.3763 7.9135 7.9135 8.5868 8.5868 9.4727 9.4727 9.6731 9.6731 11.6553 11.6553 12.4585 12.4585 12.4837 12.4837 12.6701 12.6701 k = 0.2295 0.3975-0.0000 ( 4845 PWs) bands (ev): -45.2897 -45.2897 -45.2895 -45.2895 -22.8948 -22.8948 -22.8803 -22.8803 -20.8528 -20.8528 -20.8300 -20.8300 -20.7480 -20.7480 -20.7451 -20.7451 -3.0345 -3.0345 -2.7866 -2.7866 -2.7616 -2.7616 -2.4790 -2.4790 4.7997 4.7997 5.1957 5.1957 5.4544 5.4544 5.5701 5.5701 5.9379 5.9379 6.3911 6.3911 6.4948 6.4948 7.2228 7.2228 7.2730 7.2730 7.4543 7.4543 7.9473 7.9473 8.6374 8.6374 9.4381 9.4381 9.6468 9.6468 11.6270 11.6270 12.4663 12.4663 12.4969 12.4969 12.6405 12.6405 k = 0.2240 0.3881-0.0000 ( 4833 PWs) bands (ev): -45.2901 -45.2901 -45.2900 -45.2900 -22.8926 -22.8926 -22.8788 -22.8788 -20.8491 -20.8491 -20.8278 -20.8278 -20.7463 -20.7463 -20.7441 -20.7441 -3.0767 -3.0767 -2.8168 -2.8168 -2.7864 -2.7864 -2.4883 -2.4883 4.8029 4.8029 5.2161 5.2161 5.5147 5.5147 5.6248 5.6248 5.9322 5.9322 6.3851 6.3851 6.5081 6.5081 7.2282 7.2282 7.3304 7.3304 7.5311 7.5311 7.9814 7.9814 8.6874 8.6874 9.4068 9.4068 9.6220 9.6220 11.5997 11.5997 12.4481 12.4481 12.5137 12.5137 12.6111 12.6111 k = 0.2186 0.3786-0.0000 ( 4827 PWs) bands (ev): -45.2906 -45.2906 -45.2905 -45.2905 -22.8905 -22.8905 -22.8773 -22.8773 -20.8453 -20.8453 -20.8255 -20.8255 -20.7446 -20.7446 -20.7431 -20.7431 -3.1201 -3.1201 -2.8486 -2.8486 -2.8116 -2.8116 -2.4983 -2.4983 4.8067 4.8067 5.2412 5.2412 5.5753 5.5753 5.6818 5.6818 5.9272 5.9272 6.3766 6.3766 6.5263 6.5263 7.2350 7.2350 7.3890 7.3890 7.6060 7.6060 8.0154 8.0154 8.7366 8.7366 9.3792 9.3792 9.5986 9.5986 11.5746 11.5746 12.4276 12.4276 12.4964 12.4964 12.5801 12.5801 k = 0.2131 0.3691-0.0000 ( 4831 PWs) bands (ev): -45.2912 -45.2912 -45.2911 -45.2911 -22.8882 -22.8882 -22.8757 -22.8757 -20.8412 -20.8412 -20.8230 -20.8230 -20.7430 -20.7430 -20.7421 -20.7421 -3.1645 -3.1645 -2.8818 -2.8818 -2.8373 -2.8373 -2.5088 -2.5088 4.8103 4.8103 5.2710 5.2710 5.6350 5.6350 5.7409 5.7409 5.9248 5.9248 6.3658 6.3658 6.5499 6.5499 7.2437 7.2437 7.4478 7.4478 7.6781 7.6781 8.0492 8.0492 8.7850 8.7850 9.3556 9.3556 9.5765 9.5765 11.5523 11.5523 12.4033 12.4033 12.4545 12.4545 12.5470 12.5470 k = 0.2077 0.3597-0.0000 ( 4835 PWs) bands (ev): -45.2918 -45.2918 -45.2917 -45.2917 -22.8858 -22.8858 -22.8740 -22.8740 -20.8370 -20.8370 -20.8203 -20.8203 -20.7414 -20.7414 -20.7410 -20.7410 -3.2098 -3.2098 -2.9163 -2.9163 -2.8632 -2.8632 -2.5199 -2.5199 4.8130 4.8130 5.3052 5.3052 5.6926 5.6926 5.7997 5.7997 5.9289 5.9289 6.3526 6.3526 6.5790 6.5790 7.2547 7.2547 7.5062 7.5062 7.7468 7.7468 8.0827 8.0827 8.8325 8.8325 9.3365 9.3365 9.5557 9.5557 11.5337 11.5337 12.3709 12.3709 12.4098 12.4098 12.5141 12.5141 k = 0.2022 0.3502-0.0000 ( 4831 PWs) bands (ev): -45.2924 -45.2924 -45.2923 -45.2923 -22.8834 -22.8834 -22.8722 -22.8722 -20.8327 -20.8327 -20.8174 -20.8174 -20.7400 -20.7400 -20.7397 -20.7397 -3.2558 -3.2558 -2.9521 -2.9521 -2.8894 -2.8894 -2.5316 -2.5316 4.8138 4.8138 5.3437 5.3437 5.7471 5.7471 5.8500 5.8500 5.9493 5.9493 6.3371 6.3371 6.6141 6.6141 7.2681 7.2681 7.5636 7.5636 7.8117 7.8117 8.1155 8.1155 8.8790 8.8790 9.3221 9.3221 9.5364 9.5364 11.5190 11.5190 12.3264 12.3264 12.3753 12.3753 12.4819 12.4819 k = 0.1967 0.3407-0.0000 ( 4827 PWs) bands (ev): -45.2930 -45.2930 -45.2929 -45.2929 -22.8809 -22.8809 -22.8704 -22.8704 -20.8282 -20.8282 -20.8144 -20.8144 -20.7389 -20.7389 -20.7381 -20.7381 -3.3024 -3.3024 -2.9889 -2.9889 -2.9158 -2.9158 -2.5437 -2.5437 4.8119 4.8119 5.3863 5.3863 5.7983 5.7983 5.8801 5.8801 5.9984 5.9984 6.3193 6.3193 6.6552 6.6552 7.2839 7.2839 7.6195 7.6195 7.8722 7.8722 8.1477 8.1477 8.9244 8.9244 9.3128 9.3128 9.5186 9.5186 11.5086 11.5086 12.2777 12.2777 12.3468 12.3468 12.4505 12.4505 k = 0.1913 0.3313-0.0000 ( 4831 PWs) bands (ev): -45.2937 -45.2937 -45.2935 -45.2935 -22.8784 -22.8784 -22.8685 -22.8685 -20.8236 -20.8236 -20.8112 -20.8112 -20.7378 -20.7378 -20.7364 -20.7364 -3.3495 -3.3495 -3.0266 -3.0266 -2.9423 -2.9423 -2.5562 -2.5562 4.8066 4.8066 5.4328 5.4328 5.8462 5.8462 5.8983 5.8983 6.0681 6.0681 6.2997 6.2997 6.7024 6.7024 7.3022 7.3022 7.6733 7.6733 7.9276 7.9276 8.1789 8.1789 8.9687 8.9687 9.3088 9.3088 9.5026 9.5026 11.5027 11.5027 12.2315 12.2315 12.3198 12.3198 12.4201 12.4201 k = 0.1858 0.3218-0.0000 ( 4831 PWs) bands (ev): -45.2944 -45.2944 -45.2942 -45.2942 -22.8758 -22.8758 -22.8665 -22.8665 -20.8189 -20.8189 -20.8079 -20.8079 -20.7367 -20.7367 -20.7348 -20.7348 -3.3969 -3.3969 -3.0651 -3.0651 -2.9689 -2.9689 -2.5690 -2.5690 4.7973 4.7973 5.4829 5.4829 5.8909 5.8909 5.9164 5.9164 6.1460 6.1460 6.2793 6.2793 6.7555 6.7555 7.3230 7.3230 7.7244 7.7244 7.9774 7.9774 8.2092 8.2092 9.0119 9.0119 9.3105 9.3105 9.4888 9.4888 11.5011 11.5011 12.1903 12.1903 12.2935 12.2935 12.3908 12.3908 k = 0.1803 0.3123-0.0000 ( 4831 PWs) bands (ev): -45.2951 -45.2951 -45.2948 -45.2948 -22.8732 -22.8732 -22.8645 -22.8645 -20.8142 -20.8142 -20.8045 -20.8045 -20.7355 -20.7355 -20.7331 -20.7331 -3.4444 -3.4444 -3.1043 -3.1043 -2.9955 -2.9955 -2.5822 -2.5822 4.7835 4.7835 5.5363 5.5363 5.9303 5.9303 5.9413 5.9413 6.2171 6.2171 6.2693 6.2693 6.8141 6.8141 7.3465 7.3465 7.7721 7.7721 8.0212 8.0212 8.2384 8.2384 9.0539 9.0539 9.3180 9.3180 9.4776 9.4776 11.5039 11.5039 12.1549 12.1549 12.2682 12.2682 12.3629 12.3629 k = 0.1749 0.3029-0.0000 ( 4825 PWs) bands (ev): -45.2958 -45.2958 -45.2955 -45.2955 -22.8705 -22.8705 -22.8625 -22.8625 -20.8094 -20.8094 -20.8010 -20.8010 -20.7342 -20.7342 -20.7314 -20.7314 -3.4920 -3.4920 -3.1439 -3.1439 -3.0220 -3.0220 -2.5956 -2.5956 4.7651 4.7651 5.5926 5.5926 5.9611 5.9611 5.9778 5.9778 6.2181 6.2181 6.3316 6.3316 6.8780 6.8780 7.3725 7.3725 7.8158 7.8158 8.0584 8.0584 8.2664 8.2664 9.0949 9.0949 9.3313 9.3313 9.4694 9.4694 11.5107 11.5107 12.1260 12.1260 12.2442 12.2442 12.3366 12.3366 k = 0.1694 0.2934-0.0000 ( 4819 PWs) bands (ev): -45.2965 -45.2965 -45.2961 -45.2961 -22.8678 -22.8678 -22.8604 -22.8604 -20.8046 -20.8046 -20.7975 -20.7975 -20.7329 -20.7329 -20.7296 -20.7296 -3.5395 -3.5395 -3.1839 -3.1839 -3.0483 -3.0483 -2.6092 -2.6092 4.7423 4.7423 5.6512 5.6512 5.9942 5.9942 6.0159 6.0159 6.1945 6.1945 6.4204 6.4204 6.9465 6.9465 7.4012 7.4012 7.8551 7.8551 8.0889 8.0889 8.2932 8.2932 9.1349 9.1349 9.3504 9.3504 9.4649 9.4649 11.5213 11.5213 12.1038 12.1038 12.2221 12.2221 12.3121 12.3121 k = 0.1639 0.2839-0.0000 ( 4823 PWs) bands (ev): -45.2972 -45.2972 -45.2969 -45.2969 -22.8651 -22.8651 -22.8583 -22.8583 -20.7998 -20.7998 -20.7939 -20.7939 -20.7315 -20.7315 -20.7278 -20.7278 -3.5868 -3.5868 -3.2242 -3.2242 -3.0745 -3.0745 -2.6229 -2.6229 4.7152 4.7152 5.7113 5.7113 6.0323 6.0323 6.0523 6.0523 6.1698 6.1698 6.5135 6.5135 7.0192 7.0192 7.4325 7.4325 7.8894 7.8894 8.1125 8.1125 8.3186 8.3186 9.1739 9.1739 9.3749 9.3749 9.4646 9.4646 11.5351 11.5351 12.0884 12.0884 12.2025 12.2025 12.2896 12.2896 k = 0.1585 0.2745-0.0000 ( 4821 PWs) bands (ev): -45.2978 -45.2978 -45.2976 -45.2976 -22.8624 -22.8624 -22.8561 -22.8561 -20.7951 -20.7951 -20.7904 -20.7904 -20.7300 -20.7300 -20.7259 -20.7259 -3.6337 -3.6337 -3.2645 -3.2645 -3.1005 -3.1005 -2.6368 -2.6368 4.6843 4.6843 5.7715 5.7715 6.0748 6.0748 6.0834 6.0834 6.1513 6.1513 6.6087 6.6087 7.0953 7.0953 7.4665 7.4665 7.9183 7.9183 8.1292 8.1292 8.3426 8.3426 9.2121 9.2121 9.4039 9.4039 9.4695 9.4695 11.5520 11.5520 12.0796 12.0796 12.1861 12.1861 12.2693 12.2693 k = 0.1530 0.2650-0.0000 ( 4837 PWs) bands (ev): -45.2987 -45.2987 -45.2984 -45.2984 -22.8597 -22.8597 -22.8540 -22.8540 -20.7905 -20.7905 -20.7868 -20.7868 -20.7283 -20.7283 -20.7239 -20.7239 -3.6802 -3.6802 -3.3047 -3.3047 -3.1261 -3.1261 -2.6506 -2.6506 4.6501 4.6501 5.8286 5.8286 6.0920 6.0920 6.1227 6.1227 6.1584 6.1584 6.7054 6.7054 7.1744 7.1744 7.5031 7.5031 7.9415 7.9415 8.1393 8.1393 8.3652 8.3652 9.2492 9.2492 9.4355 9.4355 9.4816 9.4816 11.5712 11.5712 12.0773 12.0773 12.1733 12.1733 12.2513 12.2513 k = 0.1475 0.2555-0.0000 ( 4829 PWs) bands (ev): -45.2994 -45.2994 -45.2991 -45.2991 -22.8570 -22.8570 -22.8518 -22.8518 -20.7861 -20.7861 -20.7834 -20.7834 -20.7265 -20.7265 -20.7218 -20.7218 -3.7260 -3.7260 -3.3448 -3.3448 -3.1513 -3.1513 -2.6645 -2.6645 4.6130 4.6130 5.8758 5.8758 6.0878 6.0878 6.1687 6.1687 6.1956 6.1956 6.8031 6.8031 7.2557 7.2557 7.5423 7.5423 7.9590 7.9590 8.1432 8.1432 8.3864 8.3864 9.2854 9.2854 9.4640 9.4640 9.5061 9.5061 11.5927 11.5927 12.0812 12.0812 12.1647 12.1647 12.2360 12.2360 k = 0.1421 0.2461-0.0000 ( 4821 PWs) bands (ev): -45.3000 -45.3000 -45.2998 -45.2998 -22.8544 -22.8544 -22.8496 -22.8496 -20.7818 -20.7818 -20.7800 -20.7800 -20.7244 -20.7244 -20.7196 -20.7196 -3.7712 -3.7712 -3.3845 -3.3845 -3.1761 -3.1761 -2.6783 -2.6783 4.5737 4.5737 5.9006 5.9006 6.0992 6.0992 6.2112 6.2112 6.2483 6.2483 6.9011 6.9011 7.3388 7.3388 7.5841 7.5841 7.9708 7.9708 8.1414 8.1414 8.4063 8.4063 9.3204 9.3204 9.4868 9.4868 9.5452 9.5452 11.6159 11.6159 12.0907 12.0907 12.1606 12.1606 12.2235 12.2235 k = 0.1366 0.2366-0.0000 ( 4831 PWs) bands (ev): -45.3008 -45.3008 -45.3006 -45.3006 -22.8517 -22.8517 -22.8474 -22.8474 -20.7779 -20.7779 -20.7768 -20.7768 -20.7222 -20.7222 -20.7172 -20.7172 -3.8155 -3.8155 -3.4238 -3.4238 -3.2005 -3.2005 -2.6920 -2.6920 4.5326 4.5326 5.8970 5.8970 6.1360 6.1360 6.2536 6.2536 6.3086 6.3086 6.9993 6.9993 7.4231 7.4231 7.6284 7.6284 7.9771 7.9771 8.1347 8.1347 8.4251 8.4251 9.3542 9.3542 9.5082 9.5082 9.5934 9.5934 11.6407 11.6407 12.1053 12.1053 12.1612 12.1612 12.2141 12.2141 k = 0.1311 0.2272-0.0000 ( 4835 PWs) bands (ev): -45.3015 -45.3015 -45.3013 -45.3013 -22.8491 -22.8491 -22.8453 -22.8453 -20.7742 -20.7742 -20.7737 -20.7737 -20.7197 -20.7197 -20.7147 -20.7147 -3.8590 -3.8590 -3.4625 -3.4625 -3.2243 -3.2243 -2.7056 -2.7056 4.4903 4.4903 5.8749 5.8749 6.1878 6.1878 6.2996 6.2996 6.3734 6.3734 7.0970 7.0970 7.5079 7.5079 7.6751 7.6751 7.9782 7.9782 8.1236 8.1236 8.4428 8.4428 9.3869 9.3869 9.5308 9.5308 9.6473 9.6473 11.6672 11.6672 12.1243 12.1243 12.1664 12.1664 12.2082 12.2082 k = 0.1257 0.2177-0.0000 ( 4831 PWs) bands (ev): -45.3021 -45.3021 -45.3021 -45.3021 -22.8465 -22.8465 -22.8431 -22.8431 -20.7708 -20.7708 -20.7707 -20.7707 -20.7169 -20.7169 -20.7120 -20.7120 -3.9014 -3.9014 -3.5006 -3.5006 -3.2475 -3.2475 -2.7189 -2.7189 4.4472 4.4472 5.8441 5.8441 6.2423 6.2423 6.3519 6.3519 6.4415 6.4415 7.1938 7.1938 7.5928 7.5928 7.7242 7.7242 7.9747 7.9747 8.1089 8.1089 8.4597 8.4597 9.4185 9.4185 9.5547 9.5547 9.7055 9.7055 11.6954 11.6954 12.1464 12.1464 12.1760 12.1760 12.2067 12.2067 k = 0.1202 0.2082-0.0000 ( 4833 PWs) bands (ev): -45.3029 -45.3029 -45.3027 -45.3027 -22.8440 -22.8440 -22.8410 -22.8410 -20.7681 -20.7681 -20.7677 -20.7677 -20.7139 -20.7139 -20.7092 -20.7092 -3.9427 -3.9427 -3.5379 -3.5379 -3.2701 -3.2701 -2.7320 -2.7320 4.4037 4.4037 5.8093 5.8093 6.2932 6.2932 6.4128 6.4128 6.5120 6.5120 7.2893 7.2893 7.6771 7.6771 7.7754 7.7754 7.9670 7.9670 8.0913 8.0913 8.4758 8.4758 9.4492 9.4492 9.5794 9.5794 9.7669 9.7669 11.7256 11.7256 12.1683 12.1683 12.1909 12.1909 12.2112 12.2112 k = 0.1148 0.1988-0.0000 ( 4833 PWs) bands (ev): -45.3035 -45.3035 -45.3035 -45.3035 -22.8416 -22.8416 -22.8389 -22.8389 -20.7657 -20.7657 -20.7650 -20.7650 -20.7107 -20.7107 -20.7062 -20.7062 -3.9828 -3.9828 -3.5743 -3.5743 -3.2920 -3.2920 -2.7449 -2.7449 4.3601 4.3601 5.7725 5.7725 6.3390 6.3390 6.4814 6.4814 6.5844 6.5844 7.3830 7.3830 7.7603 7.7603 7.8285 7.8285 7.9557 7.9557 8.0716 8.0716 8.4914 8.4914 9.4789 9.4789 9.6043 9.6043 9.8310 9.8310 11.7583 11.7583 12.1843 12.1843 12.2128 12.2128 12.2245 12.2245 k = 0.1093 0.1893-0.0000 ( 4839 PWs) bands (ev): -45.3043 -45.3043 -45.3041 -45.3041 -22.8392 -22.8392 -22.8369 -22.8369 -20.7634 -20.7634 -20.7626 -20.7626 -20.7072 -20.7072 -20.7031 -20.7031 -4.0216 -4.0216 -3.6096 -3.6096 -3.3131 -3.3131 -2.7574 -2.7574 4.3169 4.3169 5.7349 5.7349 6.3809 6.3809 6.5555 6.5555 6.6582 6.6582 7.4745 7.4745 7.8418 7.8418 7.8829 7.8829 7.9416 7.9416 8.0507 8.0507 8.5066 8.5066 9.5078 9.5078 9.6287 9.6287 9.8971 9.8971 11.7937 11.7937 12.1959 12.1959 12.2360 12.2360 12.2495 12.2495 k = 0.1038 0.1798-0.0000 ( 4841 PWs) bands (ev): -45.3049 -45.3049 -45.3048 -45.3048 -22.8369 -22.8369 -22.8349 -22.8349 -20.7614 -20.7614 -20.7605 -20.7605 -20.7036 -20.7036 -20.6998 -20.6998 -4.0591 -4.0591 -3.6439 -3.6439 -3.3335 -3.3335 -2.7695 -2.7695 4.2742 4.2742 5.6972 5.6972 6.4203 6.4203 6.6327 6.6327 6.7329 6.7329 7.5634 7.5634 7.9200 7.9200 7.9251 7.9251 7.9375 7.9375 8.0312 8.0312 8.5217 8.5217 9.5358 9.5358 9.6523 9.6523 9.9648 9.9648 11.8323 11.8323 12.2077 12.2077 12.2589 12.2589 12.2818 12.2818 k = 0.0984 0.1704-0.0000 ( 4841 PWs) bands (ev): -45.3055 -45.3055 -45.3055 -45.3055 -22.8347 -22.8347 -22.8330 -22.8330 -20.7596 -20.7596 -20.7587 -20.7587 -20.6998 -20.6998 -20.6964 -20.6964 -4.0951 -4.0951 -3.6770 -3.6770 -3.3531 -3.3531 -2.7812 -2.7812 4.2324 4.2324 5.6598 5.6598 6.4580 6.4580 6.7115 6.7115 6.8081 6.8081 7.6494 7.6494 7.9070 7.9070 7.9715 7.9715 8.0002 8.0002 8.0281 8.0281 8.5367 8.5367 9.5628 9.5628 9.6744 9.6744 10.0336 10.0336 11.8743 11.8743 12.2217 12.2217 12.2830 12.2830 12.3165 12.3165 k = 0.0929 0.1609-0.0000 ( 4839 PWs) bands (ev): -45.3061 -45.3061 -45.3060 -45.3060 -22.8326 -22.8326 -22.8311 -22.8311 -20.7580 -20.7580 -20.7571 -20.7571 -20.6960 -20.6960 -20.6930 -20.6930 -4.1295 -4.1295 -3.7088 -3.7088 -3.3719 -3.3719 -2.7926 -2.7926 4.1917 4.1917 5.6230 5.6230 6.4943 6.4943 6.7909 6.7909 6.8832 6.8832 7.7319 7.7319 7.8876 7.8876 7.9655 7.9655 8.0656 8.0656 8.0771 8.0771 8.5519 8.5519 9.5887 9.5887 9.6950 9.6950 10.1028 10.1028 11.9199 11.9199 12.2384 12.2384 12.3074 12.3074 12.3518 12.3518 k = 0.0874 0.1514-0.0000 ( 4837 PWs) bands (ev): -45.3067 -45.3067 -45.3067 -45.3067 -22.8305 -22.8305 -22.8293 -22.8293 -20.7566 -20.7566 -20.7557 -20.7557 -20.6921 -20.6921 -20.6896 -20.6896 -4.1624 -4.1624 -3.7392 -3.7392 -3.3898 -3.3898 -2.8034 -2.8034 4.1523 4.1523 5.5871 5.5871 6.5296 6.5296 6.8700 6.8700 6.9579 6.9579 7.8100 7.8100 7.8676 7.8676 7.9458 7.9458 8.1227 8.1227 8.1458 8.1458 8.5674 8.5674 9.6135 9.6135 9.7137 9.7137 10.1722 10.1722 11.9690 11.9690 12.2581 12.2581 12.3308 12.3308 12.3862 12.3862 k = 0.0820 0.1420-0.0000 ( 4841 PWs) bands (ev): -45.3073 -45.3073 -45.3072 -45.3072 -22.8286 -22.8286 -22.8275 -22.8275 -20.7553 -20.7553 -20.7546 -20.7546 -20.6883 -20.6883 -20.6861 -20.6861 -4.1936 -4.1936 -3.7682 -3.7682 -3.4067 -3.4067 -2.8137 -2.8137 4.1145 4.1145 5.5523 5.5523 6.5637 6.5637 6.9483 6.9483 7.0315 7.0315 7.8461 7.8461 7.8780 7.8780 7.9320 7.9320 8.1798 8.1798 8.2121 8.2121 8.5834 8.5834 9.6368 9.6368 9.7306 9.7306 10.2411 10.2411 12.0213 12.0213 12.2807 12.2807 12.3513 12.3513 12.4169 12.4169 k = 0.0765 0.1325-0.0000 ( 4835 PWs) bands (ev): -45.3078 -45.3078 -45.3077 -45.3077 -22.8267 -22.8267 -22.8259 -22.8259 -20.7542 -20.7542 -20.7536 -20.7536 -20.6845 -20.6845 -20.6827 -20.6827 -4.2231 -4.2231 -3.7957 -3.7957 -3.4227 -3.4227 -2.8235 -2.8235 4.0783 4.0783 5.5190 5.5190 6.5966 6.5966 7.0251 7.0251 7.1038 7.1038 7.8260 7.8260 7.8866 7.8866 7.9727 7.9727 8.2357 8.2357 8.2744 8.2744 8.6000 8.6000 9.6585 9.6585 9.7457 9.7457 10.3092 10.3092 12.0765 12.0765 12.3058 12.3058 12.3656 12.3656 12.4384 12.4384 k = 0.0710 0.1230-0.0000 ( 4839 PWs) bands (ev): -45.3084 -45.3084 -45.3082 -45.3082 -22.8250 -22.8250 -22.8243 -22.8243 -20.7533 -20.7533 -20.7527 -20.7527 -20.6809 -20.6809 -20.6794 -20.6794 -4.2507 -4.2507 -3.8216 -3.8216 -3.4378 -3.4378 -2.8328 -2.8328 4.0440 4.0440 5.4872 5.4872 6.6282 6.6282 7.0999 7.0999 7.1740 7.1740 7.8060 7.8060 7.8672 7.8672 8.0390 8.0390 8.2893 8.2893 8.3325 8.3325 8.6175 8.6175 9.6783 9.6783 9.7592 9.7592 10.3759 10.3759 12.1340 12.1340 12.3327 12.3327 12.3717 12.3717 12.4529 12.4529 k = 0.0656 0.1136-0.0000 ( 4835 PWs) bands (ev): -45.3088 -45.3088 -45.3087 -45.3087 -22.8234 -22.8234 -22.8228 -22.8228 -20.7525 -20.7525 -20.7520 -20.7520 -20.6774 -20.6774 -20.6762 -20.6762 -4.2766 -4.2766 -3.8458 -3.8458 -3.4518 -3.4518 -2.8415 -2.8415 4.0117 4.0117 5.4571 5.4571 6.6584 6.6584 7.1721 7.1721 7.2418 7.2418 7.7866 7.7866 7.8459 7.8459 8.1046 8.1046 8.3393 8.3393 8.3864 8.3864 8.6359 8.6359 9.6959 9.6959 9.7712 9.7712 10.4407 10.4407 12.1929 12.1929 12.3572 12.3572 12.3746 12.3746 12.4683 12.4683 k = 0.0601 0.1041-0.0000 ( 4831 PWs) bands (ev): -45.3092 -45.3092 -45.3091 -45.3091 -22.8219 -22.8219 -22.8215 -22.8215 -20.7517 -20.7517 -20.7514 -20.7514 -20.6740 -20.6740 -20.6731 -20.6731 -4.3006 -4.3006 -3.8683 -3.8683 -3.4648 -3.4648 -2.8495 -2.8495 3.9816 3.9816 5.4289 5.4289 6.6869 6.6869 7.2411 7.2411 7.3066 7.3066 7.7680 7.7680 7.8253 7.8253 8.1672 8.1672 8.3848 8.3848 8.4366 8.4366 8.6550 8.6550 9.7111 9.7111 9.7819 9.7819 10.5032 10.5032 12.2519 12.2519 12.3604 12.3604 12.3966 12.3966 12.4851 12.4851 k = 0.0546 0.0946-0.0000 ( 4827 PWs) bands (ev): -45.3096 -45.3096 -45.3095 -45.3095 -22.8205 -22.8205 -22.8202 -22.8202 -20.7511 -20.7511 -20.7508 -20.7508 -20.6709 -20.6709 -20.6702 -20.6702 -4.3226 -4.3226 -3.8891 -3.8891 -3.4767 -3.4767 -2.8570 -2.8570 3.9537 3.9537 5.4027 5.4027 6.7136 6.7136 7.3065 7.3065 7.3678 7.3678 7.7506 7.7506 7.8058 7.8058 8.2261 8.2261 8.4250 8.4250 8.4834 8.4834 8.6746 8.6746 9.7239 9.7239 9.7915 9.7915 10.5628 10.5628 12.3078 12.3078 12.3575 12.3575 12.4260 12.4260 12.5019 12.5019 k = 0.0492 0.0852-0.0000 ( 4831 PWs) bands (ev): -45.3101 -45.3101 -45.3098 -45.3098 -22.8193 -22.8193 -22.8190 -22.8190 -20.7506 -20.7506 -20.7504 -20.7504 -20.6680 -20.6680 -20.6675 -20.6675 -4.3427 -4.3427 -3.9080 -3.9080 -3.4876 -3.4876 -2.8637 -2.8637 3.9281 3.9281 5.3786 5.3786 6.7383 6.7383 7.3677 7.3677 7.4250 7.4250 7.7345 7.7345 7.7879 7.7879 8.2810 8.2810 8.4596 8.4596 8.5272 8.5272 8.6943 8.6943 9.7343 9.7343 9.7997 9.7997 10.6190 10.6190 12.3367 12.3367 12.3783 12.3783 12.4546 12.4546 12.5181 12.5181 k = 0.0437 0.0757-0.0000 ( 4831 PWs) bands (ev): -45.3105 -45.3105 -45.3101 -45.3101 -22.8182 -22.8182 -22.8180 -22.8180 -20.7502 -20.7502 -20.7499 -20.7499 -20.6654 -20.6654 -20.6650 -20.6650 -4.3607 -4.3607 -3.9251 -3.9251 -3.4974 -3.4974 -2.8699 -2.8699 3.9050 3.9050 5.3568 5.3568 6.7609 6.7609 7.4240 7.4240 7.4775 7.4775 7.7200 7.7200 7.7719 7.7719 8.3313 8.3313 8.4889 8.4889 8.5681 8.5681 8.7134 8.7134 9.7427 9.7427 9.8065 9.8065 10.6713 10.6713 12.3338 12.3338 12.4259 12.4259 12.4792 12.4792 12.5345 12.5345 k = 0.0383 0.0663-0.0000 ( 4835 PWs) bands (ev): -45.3109 -45.3109 -45.3104 -45.3104 -22.8172 -22.8172 -22.8170 -22.8170 -20.7498 -20.7498 -20.7496 -20.7496 -20.6630 -20.6630 -20.6627 -20.6627 -4.3767 -4.3767 -3.9402 -3.9402 -3.5060 -3.5060 -2.8753 -2.8753 3.8845 3.8845 5.3374 5.3374 6.7812 6.7812 7.4750 7.4750 7.5246 7.5246 7.7071 7.7071 7.7579 7.7579 8.3765 8.3765 8.5133 8.5133 8.6058 8.6058 8.7314 8.7314 9.7492 9.7492 9.8116 9.8116 10.7190 10.7190 12.3272 12.3272 12.4687 12.4687 12.4950 12.4950 12.5537 12.5537 k = 0.0328 0.0568-0.0000 ( 4827 PWs) bands (ev): -45.3112 -45.3112 -45.3105 -45.3105 -22.8163 -22.8163 -22.8162 -22.8162 -20.7495 -20.7495 -20.7493 -20.7493 -20.6609 -20.6609 -20.6607 -20.6607 -4.3907 -4.3907 -3.9534 -3.9534 -3.5136 -3.5136 -2.8800 -2.8800 3.8665 3.8665 5.3203 5.3203 6.7992 6.7992 7.5200 7.5200 7.5657 7.5657 7.6962 7.6962 7.7463 7.7463 8.4164 8.4164 8.5334 8.5334 8.6402 8.6402 8.7477 8.7477 9.7544 9.7544 9.8151 9.8151 10.7617 10.7617 12.3198 12.3198 12.4982 12.4982 12.4996 12.4996 12.5714 12.5714 k = 0.0273 0.0473-0.0000 ( 4829 PWs) bands (ev): -45.3114 -45.3114 -45.3107 -45.3107 -22.8156 -22.8156 -22.8155 -22.8155 -20.7493 -20.7493 -20.7491 -20.7491 -20.6591 -20.6591 -20.6590 -20.6590 -4.4025 -4.4025 -3.9646 -3.9646 -3.5200 -3.5200 -2.8841 -2.8841 3.8512 3.8512 5.3058 5.3058 6.8145 6.8145 7.5584 7.5584 7.6001 7.6001 7.6875 7.6875 7.7377 7.7377 8.4504 8.4504 8.5498 8.5498 8.6707 8.6707 8.7618 8.7618 9.7585 9.7585 9.8170 9.8170 10.7989 10.7989 12.3121 12.3121 12.4940 12.4940 12.5182 12.5182 12.5774 12.5774 k = 0.0219 0.0379-0.0000 ( 4819 PWs) bands (ev): -45.3115 -45.3115 -45.3109 -45.3109 -22.8150 -22.8150 -22.8149 -22.8149 -20.7491 -20.7491 -20.7489 -20.7489 -20.6576 -20.6576 -20.6576 -20.6576 -4.4122 -4.4122 -3.9738 -3.9738 -3.5252 -3.5252 -2.8874 -2.8874 3.8386 3.8386 5.2938 5.2938 6.8273 6.8273 7.5894 7.5894 7.6267 7.6267 7.6815 7.6815 7.7325 7.7325 8.4785 8.4785 8.5627 8.5627 8.6969 8.6969 8.7736 8.7736 9.7618 9.7618 9.8175 9.8175 10.8301 10.8301 12.3046 12.3046 12.4886 12.4886 12.5289 12.5289 12.5830 12.5830 k = 0.0164 0.0284-0.0000 ( 4817 PWs) bands (ev): -45.3116 -45.3116 -45.3110 -45.3110 -22.8145 -22.8145 -22.8144 -22.8144 -20.7490 -20.7490 -20.7487 -20.7487 -20.6565 -20.6565 -20.6564 -20.6564 -4.4198 -4.4198 -3.9810 -3.9810 -3.5293 -3.5293 -2.8900 -2.8900 3.8288 3.8288 5.2844 5.2844 6.8372 6.8372 7.6119 7.6119 7.6451 7.6451 7.6787 7.6787 7.7311 7.7311 8.5004 8.5004 8.5725 8.5725 8.7182 8.7182 8.7828 8.7828 9.7645 9.7645 9.8171 9.8171 10.8549 10.8549 12.2980 12.2980 12.4845 12.4845 12.5352 12.5352 12.5863 12.5863 k = 0.0109 0.0189-0.0000 ( 4815 PWs) bands (ev): -45.3117 -45.3117 -45.3111 -45.3111 -22.8142 -22.8142 -22.8141 -22.8141 -20.7489 -20.7489 -20.7486 -20.7486 -20.6556 -20.6556 -20.6556 -20.6556 -4.4252 -4.4252 -3.9862 -3.9862 -3.5322 -3.5322 -2.8918 -2.8918 3.8217 3.8217 5.2777 5.2777 6.8444 6.8444 7.6255 7.6255 7.6561 7.6561 7.6790 7.6790 7.7327 7.7327 8.5161 8.5161 8.5794 8.5794 8.7340 8.7340 8.7893 8.7893 9.7665 9.7665 9.8162 9.8162 10.8728 10.8728 12.2928 12.2928 12.4819 12.4819 12.5388 12.5388 12.5875 12.5875 k = 0.0055 0.0095-0.0000 ( 4819 PWs) bands (ev): -45.3118 -45.3118 -45.3112 -45.3112 -22.8140 -22.8140 -22.8139 -22.8139 -20.7488 -20.7488 -20.7486 -20.7486 -20.6552 -20.6552 -20.6551 -20.6551 -4.4285 -4.4285 -3.9893 -3.9893 -3.5340 -3.5340 -2.8930 -2.8930 3.8175 3.8175 5.2737 5.2737 6.8488 6.8488 7.6316 7.6316 7.6617 7.6617 7.6808 7.6808 7.7353 7.7353 8.5256 8.5256 8.5834 8.5834 8.7437 8.7437 8.7932 8.7932 9.7678 9.7678 9.8154 9.8154 10.8837 10.8837 12.2894 12.2894 12.4805 12.4805 12.5407 12.5407 12.5876 12.5876 k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -45.3119 -45.3119 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.4296 -4.4296 -3.9903 -3.9903 -3.5346 -3.5346 -2.8933 -2.8933 3.8161 3.8161 5.2723 5.2723 6.8502 6.8502 7.6333 7.6333 7.6633 7.6633 7.6818 7.6818 7.7364 7.7364 8.5287 8.5287 8.5848 8.5848 8.7470 8.7470 8.7945 8.7945 9.7682 9.7682 9.8151 9.8151 10.8873 10.8873 12.2883 12.2883 12.4801 12.4801 12.5413 12.5413 12.5875 12.5875 k = 0.0000 0.0000 0.0000 ( 4823 PWs) bands (ev): -45.3119 -45.3119 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.4296 -4.4296 -3.9903 -3.9903 -3.5346 -3.5346 -2.8933 -2.8933 3.8161 3.8161 5.2723 5.2723 6.8502 6.8502 7.6333 7.6333 7.6633 7.6633 7.6818 7.6818 7.7364 7.7364 8.5287 8.5287 8.5848 8.5848 8.7470 8.7470 8.7945 8.7945 9.7682 9.7682 9.8151 9.8151 10.8873 10.8873 12.2883 12.2883 12.4801 12.4801 12.5413 12.5413 12.5875 12.5875 k = 0.0000 0.0000 0.0106 ( 4828 PWs) bands (ev): -45.3120 -45.3120 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.4286 -4.4286 -3.9940 -3.9940 -3.5302 -3.5302 -2.8951 -2.8951 3.8196 3.8196 5.2615 5.2615 6.8630 6.8630 7.6338 7.6338 7.6630 7.6630 7.6820 7.6820 7.7362 7.7362 8.5289 8.5289 8.5846 8.5846 8.7472 8.7472 8.7944 8.7944 9.6852 9.6852 9.8931 9.8931 10.8862 10.8862 12.2888 12.2888 12.4805 12.4805 12.5364 12.5364 12.5920 12.5920 k = 0.0000 0.0000 0.0212 ( 4828 PWs) bands (ev): -45.3120 -45.3120 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.4257 -4.4257 -4.0045 -4.0045 -3.5177 -3.5177 -2.9004 -2.9004 3.8303 3.8303 5.2302 5.2302 6.9002 6.9002 7.6354 7.6354 7.6621 7.6621 7.6826 7.6826 7.7356 7.7356 8.5296 8.5296 8.5841 8.5841 8.7478 8.7478 8.7939 8.7939 9.5780 9.5780 9.9854 9.9854 10.8827 10.8827 12.2903 12.2903 12.4819 12.4819 12.5253 12.5253 12.6021 12.6021 k = 0.0000 0.0000 0.0318 ( 4834 PWs) bands (ev): -45.3120 -45.3120 -45.3113 -45.3113 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6550 -20.6550 -4.4208 -4.4208 -4.0207 -4.0207 -3.4980 -3.4980 -2.9091 -2.9091 3.8480 3.8480 5.1812 5.1812 6.9589 6.9589 7.6381 7.6381 7.6607 7.6607 7.6835 7.6835 7.7345 7.7345 8.5306 8.5306 8.5832 8.5832 8.7487 8.7487 8.7931 8.7931 9.4655 9.4655 10.0732 10.0732 10.8770 10.8770 12.2927 12.2927 12.4841 12.4841 12.5116 12.5116 12.6141 12.6141 k = 0.0000 0.0000 0.0424 ( 4834 PWs) bands (ev): -45.3120 -45.3120 -45.3113 -45.3113 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6550 -20.6550 -4.4140 -4.4140 -4.0414 -4.0414 -3.4727 -3.4727 -2.9212 -2.9212 3.8726 3.8726 5.1182 5.1182 7.0349 7.0349 7.6424 7.6424 7.6587 7.6587 7.6848 7.6848 7.7331 7.7331 8.5320 8.5320 8.5820 8.5820 8.7500 8.7500 8.7920 8.7920 9.3487 9.3487 10.1559 10.1559 10.8689 10.8689 12.2961 12.2961 12.4872 12.4872 12.4969 12.4969 12.6265 12.6265 k = 0.0000 0.0000 0.0530 ( 4810 PWs) bands (ev): -45.3117 -45.3117 -45.3113 -45.3113 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6550 -20.6550 -4.4054 -4.4054 -4.0651 -4.0651 -3.4431 -3.4431 -2.9366 -2.9366 3.9040 3.9040 5.0450 5.0450 7.1242 7.1242 7.6487 7.6487 7.6562 7.6562 7.6864 7.6864 7.7313 7.7313 8.5338 8.5338 8.5804 8.5804 8.7516 8.7516 8.7907 8.7907 9.2281 9.2281 10.2333 10.2333 10.8583 10.8583 12.3005 12.3005 12.4817 12.4817 12.4913 12.4913 12.6387 12.6387 k = 0.0000 0.0000 0.0636 ( 4810 PWs) bands (ev): -45.3118 -45.3118 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.3948 -4.3948 -4.0907 -4.0907 -3.4103 -3.4103 -2.9552 -2.9552 3.9420 3.9420 4.9647 4.9647 7.2222 7.2222 7.6531 7.6531 7.6581 7.6581 7.6884 7.6884 7.7292 7.7292 8.5358 8.5358 8.5786 8.5786 8.7535 8.7535 8.7890 8.7890 9.1042 9.1042 10.3053 10.3053 10.8452 10.8452 12.3059 12.3059 12.4664 12.4664 12.4962 12.4962 12.6451 12.6451 k = 0.0000 0.0000 0.0742 ( 4810 PWs) bands (ev): -45.3118 -45.3118 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7488 -20.7488 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.3824 -4.3824 -4.1174 -4.1174 -3.3754 -3.3754 -2.9766 -2.9766 3.9864 3.9864 4.8801 4.8801 7.3239 7.3239 7.6495 7.6495 7.6731 7.6731 7.6906 7.6906 7.7268 7.7268 8.5380 8.5380 8.5764 8.5764 8.7556 8.7556 8.7871 8.7871 8.9775 8.9775 10.3721 10.3721 10.8295 10.8295 12.3122 12.3122 12.4513 12.4513 12.5020 12.5020 12.6314 12.6314 k = 0.0000 0.0000 0.0848 ( 4810 PWs) bands (ev): -45.3118 -45.3118 -45.3112 -45.3112 -22.8139 -22.8139 -22.8138 -22.8138 -20.7487 -20.7487 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.3682 -4.3682 -4.1445 -4.1445 -3.3392 -3.3392 -3.0009 -3.0009 4.0369 4.0369 4.7931 4.7931 7.4213 7.4213 7.6454 7.6454 7.6931 7.6931 7.6995 7.6995 7.7241 7.7241 8.5401 8.5401 8.5740 8.5740 8.7580 8.7580 8.7849 8.7849 8.8487 8.8487 10.4338 10.4338 10.8110 10.8110 12.3194 12.3194 12.4363 12.4363 12.5087 12.5087 12.6178 12.6178 k = 0.0000 0.0000 0.0954 ( 4822 PWs) bands (ev): -45.3118 -45.3118 -45.3113 -45.3113 -22.8139 -22.8139 -22.8138 -22.8138 -20.7487 -20.7487 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.3522 -4.3522 -4.1715 -4.1715 -3.3021 -3.3021 -3.0276 -3.0276 4.0933 4.0933 4.7054 4.7054 7.5017 7.5017 7.6406 7.6406 7.6958 7.6958 7.7212 7.7212 7.7483 7.7483 8.5415 8.5415 8.5714 8.5714 8.7190 8.7190 8.7606 8.7606 8.7826 8.7826 10.4904 10.4904 10.7896 10.7896 12.3275 12.3275 12.4217 12.4217 12.5163 12.5163 12.6043 12.6043 k = 0.0000 0.0000 0.1060 ( 4828 PWs) bands (ev): -45.3119 -45.3119 -45.3113 -45.3113 -22.8139 -22.8139 -22.8138 -22.8138 -20.7487 -20.7487 -20.7486 -20.7486 -20.6550 -20.6550 -20.6549 -20.6549 -4.3346 -4.3346 -4.1980 -4.1980 -3.2648 -3.2648 -3.0567 -3.0567 4.1551 4.1551 4.6183 4.6183 7.5542 7.5542 7.6353 7.6353 7.6988 7.6988 7.7181 7.7181 7.8292 7.8292 8.5348 8.5348 8.5686 8.5686 8.5963 8.5963 8.7633 8.7633 8.7801 8.7801 10.5423 10.5423 10.7651 10.7651 12.3366 12.3366 12.4076 12.4076 12.5247 12.5247 12.5911 12.5911 k = 0.0000 0.0000 0.1166 ( 4840 PWs) bands (ev): -45.3118 -45.3118 -45.3115 -45.3115 -22.8139 -22.8139 -22.8139 -22.8139 -20.7487 -20.7487 -20.7487 -20.7487 -20.6550 -20.6550 -20.6550 -20.6550 -4.3153 -4.3153 -4.2238 -4.2238 -3.2276 -3.2276 -3.0879 -3.0879 4.2222 4.2222 4.5329 4.5329 7.5837 7.5837 7.6292 7.6292 7.7019 7.7019 7.7149 7.7149 7.9358 7.9358 8.4436 8.4436 8.5577 8.5577 8.5658 8.5658 8.7661 8.7661 8.7774 8.7774 10.5895 10.5895 10.7373 10.7373 12.3465 12.3465 12.3940 12.3940 12.5340 12.5340 12.5785 12.5785 k = 0.0000 0.0000 0.1272 ( 4852 PWs) bands (ev): -45.3118 -45.3118 -45.3117 -45.3117 -22.8139 -22.8139 -22.8139 -22.8139 -20.7487 -20.7487 -20.7487 -20.7487 -20.6550 -20.6550 -20.6550 -20.6550 -4.2944 -4.2944 -4.2486 -4.2486 -3.1911 -3.1911 -3.1209 -3.1209 4.2940 4.2940 4.4499 4.4499 7.6013 7.6013 7.6220 7.6220 7.7051 7.7051 7.7116 7.7116 8.0564 8.0564 8.3141 8.3141 8.5576 8.5576 8.5628 8.5628 8.7689 8.7689 8.7746 8.7746 10.6325 10.6325 10.7061 10.7061 12.3572 12.3572 12.3810 12.3810 12.5440 12.5440 12.5663 12.5663 k = 0.0000 0.0000 0.1378 ( 4888 PWs) bands (ev): -45.3120 -45.3120 -45.3120 -45.3120 -22.8139 -22.8139 -22.8139 -22.8139 -20.7487 -20.7487 -20.7487 -20.7487 -20.6550 -20.6550 -20.6550 -20.6550 -4.2722 -4.2722 -4.2721 -4.2721 -3.1554 -3.1554 -3.1553 -3.1553 4.3700 4.3700 4.3700 4.3700 7.6131 7.6131 7.6131 7.6131 7.7083 7.7083 7.7083 7.7083 8.1838 8.1838 8.1838 8.1838 8.5600 8.5600 8.5600 8.5600 8.7718 8.7718 8.7718 8.7718 10.6712 10.6712 10.6712 10.6712 12.3687 12.3687 12.3687 12.3687 12.5548 12.5548 12.5548 12.5548 k = 0.0000 0.0000 0.1378 ( 4888 PWs) bands (ev): -45.3120 -45.3120 -45.3120 -45.3120 -22.8139 -22.8139 -22.8139 -22.8139 -20.7487 -20.7487 -20.7487 -20.7487 -20.6550 -20.6550 -20.6550 -20.6550 -4.2722 -4.2722 -4.2721 -4.2721 -3.1554 -3.1554 -3.1553 -3.1553 4.3700 4.3700 4.3700 4.3700 7.6131 7.6131 7.6131 7.6131 7.7083 7.7083 7.7083 7.7083 8.1838 8.1838 8.1838 8.1838 8.5600 8.5600 8.5600 8.5600 8.7718 8.7718 8.7718 8.7718 10.6712 10.6712 10.6712 10.6712 12.3687 12.3687 12.3687 12.3687 12.5548 12.5548 12.5548 12.5548 k = 0.0094 0.0054 0.1378 ( 4868 PWs) bands (ev): -45.3118 -45.3118 -45.3118 -45.3118 -22.8140 -22.8140 -22.8140 -22.8140 -20.7487 -20.7487 -20.7487 -20.7487 -20.6551 -20.6551 -20.6551 -20.6551 -4.2711 -4.2711 -4.2711 -4.2711 -3.1549 -3.1549 -3.1548 -3.1548 4.3713 4.3713 4.3713 4.3713 7.6116 7.6116 7.6116 7.6116 7.7071 7.7071 7.7071 7.7071 8.1794 8.1794 8.1794 8.1794 8.5604 8.5604 8.5604 8.5604 8.7713 8.7713 8.7713 8.7713 10.6685 10.6685 10.6685 10.6685 12.3695 12.3695 12.3695 12.3695 12.5547 12.5547 12.5548 12.5548 k = 0.0189 0.0109 0.1378 ( 4860 PWs) bands (ev): -45.3117 -45.3117 -45.3117 -45.3117 -22.8142 -22.8142 -22.8142 -22.8142 -20.7488 -20.7488 -20.7488 -20.7488 -20.6556 -20.6556 -20.6556 -20.6556 -4.2680 -4.2680 -4.2680 -4.2680 -3.1534 -3.1534 -3.1534 -3.1534 4.3750 4.3750 4.3751 4.3751 7.6066 7.6066 7.6066 7.6066 7.7040 7.7040 7.7040 7.7040 8.1665 8.1665 8.1666 8.1666 8.5614 8.5614 8.5614 8.5614 8.7701 8.7701 8.7701 8.7701 10.6603 10.6603 10.6604 10.6604 12.3718 12.3718 12.3718 12.3718 12.5544 12.5544 12.5544 12.5544 k = 0.0283 0.0163 0.1378 ( 4848 PWs) bands (ev): -45.3115 -45.3115 -45.3115 -45.3115 -22.8145 -22.8145 -22.8145 -22.8145 -20.7489 -20.7489 -20.7489 -20.7489 -20.6564 -20.6564 -20.6564 -20.6564 -4.2628 -4.2628 -4.2628 -4.2628 -3.1510 -3.1510 -3.1509 -3.1509 4.3813 4.3813 4.3813 4.3813 7.5964 7.5964 7.5964 7.5964 7.7008 7.7008 7.7008 7.7008 8.1461 8.1461 8.1461 8.1461 8.5616 8.5616 8.5616 8.5616 8.7686 8.7686 8.7686 8.7686 10.6468 10.6468 10.6469 10.6469 12.3752 12.3752 12.3752 12.3752 12.5533 12.5533 12.5534 12.5534 k = 0.0377 0.0218 0.1378 ( 4836 PWs) bands (ev): -45.3113 -45.3113 -45.3113 -45.3113 -22.8149 -22.8149 -22.8149 -22.8149 -20.7490 -20.7490 -20.7490 -20.7490 -20.6576 -20.6576 -20.6576 -20.6576 -4.2555 -4.2555 -4.2555 -4.2555 -3.1475 -3.1475 -3.1475 -3.1475 4.3900 4.3900 4.3900 4.3900 7.5789 7.5789 7.5789 7.5789 7.6997 7.6997 7.6997 7.6997 8.1192 8.1192 8.1192 8.1192 8.5595 8.5595 8.5595 8.5595 8.7672 8.7672 8.7673 8.7673 10.6281 10.6281 10.6282 10.6282 12.3792 12.3792 12.3793 12.3793 12.5508 12.5508 12.5508 12.5508 k = 0.0472 0.0272 0.1378 ( 4836 PWs) bands (ev): -45.3111 -45.3111 -45.3111 -45.3111 -22.8155 -22.8155 -22.8155 -22.8155 -20.7492 -20.7492 -20.7492 -20.7492 -20.6590 -20.6590 -20.6590 -20.6590 -4.2462 -4.2462 -4.2462 -4.2462 -3.1432 -3.1432 -3.1431 -3.1431 4.4012 4.4012 4.4012 4.4012 7.5532 7.5532 7.5532 7.5532 7.7018 7.7018 7.7018 7.7018 8.0870 8.0870 8.0870 8.0870 8.5536 8.5536 8.5536 8.5536 8.7666 8.7666 8.7666 8.7666 10.6043 10.6043 10.6044 10.6044 12.3831 12.3831 12.3831 12.3831 12.5454 12.5454 12.5454 12.5454 k = 0.0566 0.0327 0.1378 ( 4850 PWs) bands (ev): -45.3110 -45.3110 -45.3110 -45.3110 -22.8162 -22.8162 -22.8162 -22.8162 -20.7494 -20.7494 -20.7494 -20.7494 -20.6608 -20.6608 -20.6608 -20.6608 -4.2349 -4.2349 -4.2348 -4.2348 -3.1378 -3.1378 -3.1378 -3.1378 4.4147 4.4147 4.4147 4.4147 7.5193 7.5193 7.5193 7.5193 7.7071 7.7071 7.7071 7.7071 8.0505 8.0505 8.0505 8.0505 8.5430 8.5430 8.5430 8.5430 8.7667 8.7667 8.7668 8.7668 10.5757 10.5757 10.5758 10.5758 12.3856 12.3856 12.3856 12.3856 12.5359 12.5359 12.5359 12.5359 k = 0.0660 0.0381 0.1378 ( 4850 PWs) bands (ev): -45.3107 -45.3107 -45.3107 -45.3107 -22.8171 -22.8171 -22.8171 -22.8171 -20.7497 -20.7497 -20.7497 -20.7497 -20.6628 -20.6628 -20.6628 -20.6628 -4.2215 -4.2215 -4.2214 -4.2214 -3.1315 -3.1315 -3.1315 -3.1315 4.4305 4.4305 4.4306 4.4306 7.4781 7.4781 7.4781 7.4781 7.7149 7.7149 7.7150 7.7150 8.0107 8.0107 8.0107 8.0107 8.5272 8.5272 8.5272 8.5272 8.7675 8.7675 8.7675 8.7675 10.5426 10.5426 10.5427 10.5427 12.3849 12.3849 12.3849 12.3849 12.5220 12.5220 12.5221 12.5221 k = 0.0755 0.0436 0.1378 ( 4848 PWs) bands (ev): -45.3104 -45.3104 -45.3104 -45.3104 -22.8180 -22.8180 -22.8180 -22.8180 -20.7501 -20.7501 -20.7501 -20.7501 -20.6651 -20.6651 -20.6651 -20.6651 -4.2061 -4.2061 -4.2061 -4.2061 -3.1243 -3.1243 -3.1243 -3.1243 4.4487 4.4487 4.4487 4.4487 7.4304 7.4304 7.4304 7.4304 7.7243 7.7243 7.7243 7.7243 7.9688 7.9688 7.9688 7.9688 8.5064 8.5064 8.5064 8.5064 8.7683 8.7683 8.7683 8.7683 10.5053 10.5053 10.5054 10.5054 12.3785 12.3785 12.3786 12.3786 12.5059 12.5059 12.5059 12.5059 k = 0.0849 0.0490 0.1378 ( 4842 PWs) bands (ev): -45.3100 -45.3100 -45.3100 -45.3100 -22.8191 -22.8191 -22.8191 -22.8191 -20.7505 -20.7505 -20.7505 -20.7505 -20.6677 -20.6677 -20.6677 -20.6677 -4.1888 -4.1888 -4.1888 -4.1888 -3.1162 -3.1162 -3.1161 -3.1161 4.4689 4.4689 4.4690 4.4690 7.3768 7.3768 7.3768 7.3768 7.7336 7.7336 7.7336 7.7336 7.9262 7.9262 7.9262 7.9262 8.4811 8.4811 8.4811 8.4811 8.7684 8.7684 8.7685 8.7685 10.4642 10.4642 10.4643 10.4643 12.3636 12.3636 12.3636 12.3636 12.4907 12.4907 12.4908 12.4908 k = 0.0943 0.0545 0.1378 ( 4850 PWs) bands (ev): -45.3097 -45.3097 -45.3097 -45.3097 -22.8203 -22.8203 -22.8203 -22.8203 -20.7510 -20.7510 -20.7510 -20.7510 -20.6705 -20.6705 -20.6705 -20.6705 -4.1696 -4.1696 -4.1696 -4.1696 -3.1072 -3.1072 -3.1071 -3.1071 4.4913 4.4913 4.4913 4.4913 7.3181 7.3181 7.3181 7.3181 7.7397 7.7397 7.7397 7.7397 7.8865 7.8865 7.8865 7.8865 8.4519 8.4519 8.4519 8.4519 8.7671 8.7671 8.7672 8.7672 10.4198 10.4198 10.4198 10.4198 12.3391 12.3391 12.3392 12.3392 12.4785 12.4785 12.4785 12.4785 k = 0.1038 0.0599 0.1378 ( 4854 PWs) bands (ev): -45.3093 -45.3093 -45.3093 -45.3093 -22.8216 -22.8216 -22.8216 -22.8216 -20.7516 -20.7516 -20.7516 -20.7516 -20.6734 -20.6734 -20.6734 -20.6734 -4.1485 -4.1485 -4.1485 -4.1485 -3.0973 -3.0973 -3.0972 -3.0972 4.5156 4.5156 4.5157 4.5157 7.2547 7.2547 7.2547 7.2547 7.7346 7.7346 7.7346 7.7346 7.8573 7.8573 7.8573 7.8573 8.4192 8.4192 8.4193 8.4193 8.7638 8.7638 8.7639 8.7639 10.3723 10.3723 10.3724 10.3724 12.3071 12.3071 12.3071 12.3071 12.4679 12.4679 12.4679 12.4679 k = 0.1132 0.0654 0.1378 ( 4844 PWs) bands (ev): -45.3088 -45.3088 -45.3088 -45.3088 -22.8231 -22.8231 -22.8231 -22.8231 -20.7523 -20.7523 -20.7523 -20.7523 -20.6766 -20.6766 -20.6766 -20.6766 -4.1256 -4.1256 -4.1256 -4.1256 -3.0865 -3.0865 -3.0865 -3.0865 4.5418 4.5418 4.5418 4.5418 7.1872 7.1872 7.1872 7.1872 7.7092 7.7092 7.7092 7.7092 7.8481 7.8481 7.8481 7.8481 8.3839 8.3839 8.3839 8.3839 8.7581 8.7581 8.7581 8.7581 10.3224 10.3224 10.3225 10.3225 12.2705 12.2705 12.2705 12.2705 12.4565 12.4565 12.4565 12.4565 k = 0.1226 0.0708 0.1378 ( 4844 PWs) bands (ev): -45.3083 -45.3083 -45.3083 -45.3083 -22.8246 -22.8246 -22.8246 -22.8246 -20.7531 -20.7531 -20.7531 -20.7531 -20.6799 -20.6799 -20.6799 -20.6799 -4.1009 -4.1009 -4.1009 -4.1009 -3.0750 -3.0750 -3.0749 -3.0749 4.5697 4.5697 4.5697 4.5697 7.1161 7.1161 7.1161 7.1161 7.6663 7.6663 7.6663 7.6663 7.8557 7.8557 7.8558 7.8558 8.3462 8.3462 8.3462 8.3462 8.7497 8.7497 8.7497 8.7497 10.2705 10.2705 10.2705 10.2705 12.2320 12.2320 12.2321 12.2321 12.4427 12.4427 12.4427 12.4427 k = 0.1321 0.0763 0.1378 ( 4844 PWs) bands (ev): -45.3078 -45.3078 -45.3078 -45.3078 -22.8262 -22.8262 -22.8262 -22.8262 -20.7540 -20.7540 -20.7540 -20.7540 -20.6833 -20.6833 -20.6833 -20.6833 -4.0745 -4.0745 -4.0744 -4.0744 -3.0626 -3.0626 -3.0626 -3.0626 4.5991 4.5991 4.5991 4.5991 7.0419 7.0419 7.0419 7.0419 7.6144 7.6144 7.6144 7.6144 7.8718 7.8718 7.8718 7.8718 8.3069 8.3069 8.3069 8.3069 8.7383 8.7383 8.7383 8.7383 10.2168 10.2168 10.2169 10.2169 12.1936 12.1936 12.1936 12.1936 12.4259 12.4259 12.4259 12.4259 k = 0.1415 0.0817 0.1378 ( 4838 PWs) bands (ev): -45.3073 -45.3073 -45.3073 -45.3073 -22.8280 -22.8280 -22.8280 -22.8280 -20.7551 -20.7551 -20.7551 -20.7551 -20.6868 -20.6868 -20.6868 -20.6868 -4.0464 -4.0464 -4.0463 -4.0463 -3.0495 -3.0495 -3.0495 -3.0495 4.6298 4.6298 4.6298 4.6298 6.9650 6.9650 6.9650 6.9650 7.5577 7.5577 7.5578 7.5578 7.8917 7.8917 7.8917 7.8917 8.2664 8.2664 8.2664 8.2664 8.7241 8.7241 8.7241 8.7241 10.1620 10.1620 10.1620 10.1620 12.1564 12.1564 12.1565 12.1565 12.4065 12.4065 12.4066 12.4066 k = 0.1509 0.0871 0.1378 ( 4838 PWs) bands (ev): -45.3067 -45.3067 -45.3067 -45.3067 -22.8298 -22.8298 -22.8298 -22.8298 -20.7564 -20.7564 -20.7564 -20.7564 -20.6903 -20.6903 -20.6903 -20.6903 -4.0167 -4.0167 -4.0166 -4.0166 -3.0357 -3.0357 -3.0356 -3.0356 4.6617 4.6617 4.6617 4.6617 6.8859 6.8859 6.8859 6.8859 7.4980 7.4980 7.4980 7.4980 7.9135 7.9135 7.9135 7.9135 8.2253 8.2253 8.2253 8.2253 8.7071 8.7071 8.7071 8.7071 10.1062 10.1062 10.1062 10.1062 12.1216 12.1216 12.1216 12.1216 12.3851 12.3851 12.3852 12.3852 k = 0.1604 0.0926 0.1378 ( 4834 PWs) bands (ev): -45.3061 -45.3061 -45.3061 -45.3061 -22.8317 -22.8317 -22.8317 -22.8317 -20.7579 -20.7579 -20.7579 -20.7579 -20.6938 -20.6938 -20.6938 -20.6938 -3.9854 -3.9854 -3.9854 -3.9854 -3.0211 -3.0211 -3.0211 -3.0211 4.6945 4.6945 4.6945 4.6945 6.8050 6.8050 6.8050 6.8050 7.4361 7.4361 7.4361 7.4361 7.9355 7.9355 7.9356 7.9356 8.1848 8.1848 8.1848 8.1848 8.6874 8.6874 8.6875 8.6875 10.0499 10.0499 10.0500 10.0500 12.0897 12.0897 12.0897 12.0897 12.3623 12.3623 12.3624 12.3624 k = 0.1698 0.0980 0.1378 ( 4842 PWs) bands (ev): -45.3055 -45.3055 -45.3055 -45.3055 -22.8337 -22.8337 -22.8337 -22.8337 -20.7597 -20.7597 -20.7597 -20.7597 -20.6972 -20.6972 -20.6972 -20.6972 -3.9527 -3.9527 -3.9526 -3.9526 -3.0060 -3.0060 -3.0059 -3.0059 4.7279 4.7279 4.7280 4.7280 6.7228 6.7228 6.7228 6.7228 7.3723 7.3723 7.3724 7.3724 7.9557 7.9557 7.9558 7.9558 8.1467 8.1467 8.1467 8.1467 8.6655 8.6655 8.6655 8.6655 9.9934 9.9934 9.9935 9.9935 12.0613 12.0613 12.0613 12.0613 12.3387 12.3387 12.3387 12.3387 k = 0.1792 0.1035 0.1378 ( 4836 PWs) bands (ev): -45.3049 -45.3049 -45.3049 -45.3049 -22.8358 -22.8358 -22.8358 -22.8358 -20.7617 -20.7617 -20.7617 -20.7617 -20.7005 -20.7005 -20.7005 -20.7005 -3.9186 -3.9186 -3.9185 -3.9185 -2.9902 -2.9902 -2.9901 -2.9901 4.7618 4.7618 4.7618 4.7618 6.6396 6.6396 6.6396 6.6396 7.3072 7.3072 7.3072 7.3072 7.9695 7.9695 7.9696 7.9696 8.1154 8.1154 8.1154 8.1154 8.6415 8.6415 8.6415 8.6415 9.9371 9.9371 9.9371 9.9371 12.0366 12.0366 12.0366 12.0366 12.3148 12.3148 12.3148 12.3148 k = 0.1887 0.1089 0.1378 ( 4850 PWs) bands (ev): -45.3043 -45.3043 -45.3043 -45.3043 -22.8379 -22.8379 -22.8379 -22.8379 -20.7640 -20.7640 -20.7640 -20.7640 -20.7036 -20.7036 -20.7036 -20.7036 -3.8832 -3.8832 -3.8831 -3.8831 -2.9738 -2.9738 -2.9738 -2.9738 4.7956 4.7956 4.7956 4.7956 6.5558 6.5558 6.5558 6.5558 7.2409 7.2409 7.2409 7.2409 7.9682 7.9682 7.9683 7.9683 8.0996 8.0996 8.0996 8.0996 8.6160 8.6160 8.6160 8.6160 9.8812 9.8812 9.8812 9.8812 12.0160 12.0160 12.0160 12.0160 12.2909 12.2909 12.2909 12.2909 k = 0.1981 0.1144 0.1378 ( 4848 PWs) bands (ev): -45.3036 -45.3036 -45.3036 -45.3036 -22.8401 -22.8401 -22.8401 -22.8401 -20.7667 -20.7667 -20.7667 -20.7667 -20.7065 -20.7065 -20.7065 -20.7065 -3.8465 -3.8465 -3.8465 -3.8465 -2.9569 -2.9569 -2.9569 -2.9569 4.8290 4.8290 4.8291 4.8291 6.4718 6.4718 6.4718 6.4718 7.1737 7.1737 7.1737 7.1737 7.9468 7.9468 7.9469 7.9469 8.1042 8.1042 8.1042 8.1042 8.5893 8.5893 8.5893 8.5893 9.8261 9.8261 9.8262 9.8262 11.9994 11.9994 11.9994 11.9994 12.2674 12.2674 12.2675 12.2675 k = 0.2075 0.1198 0.1378 ( 4848 PWs) bands (ev): -45.3030 -45.3030 -45.3030 -45.3030 -22.8424 -22.8424 -22.8424 -22.8424 -20.7696 -20.7696 -20.7696 -20.7696 -20.7092 -20.7092 -20.7092 -20.7092 -3.8087 -3.8087 -3.8087 -3.8087 -2.9396 -2.9396 -2.9395 -2.9395 4.8617 4.8617 4.8618 4.8618 6.3880 6.3880 6.3881 6.3881 7.1059 7.1059 7.1060 7.1060 7.9124 7.9124 7.9125 7.9125 8.1218 8.1218 8.1219 8.1219 8.5619 8.5619 8.5620 8.5620 9.7722 9.7722 9.7722 9.7722 11.9869 11.9869 11.9869 11.9869 12.2447 12.2447 12.2448 12.2448 k = 0.2170 0.1253 0.1378 ( 4840 PWs) bands (ev): -45.3022 -45.3022 -45.3022 -45.3022 -22.8447 -22.8447 -22.8447 -22.8447 -20.7729 -20.7729 -20.7729 -20.7729 -20.7116 -20.7116 -20.7116 -20.7116 -3.7699 -3.7699 -3.7698 -3.7698 -2.9218 -2.9218 -2.9218 -2.9218 4.8931 4.8931 4.8932 4.8932 6.3050 6.3050 6.3050 6.3050 7.0379 7.0379 7.0380 7.0380 7.8725 7.8725 7.8725 7.8725 8.1448 8.1448 8.1449 8.1449 8.5346 8.5346 8.5346 8.5346 9.7198 9.7198 9.7198 9.7198 11.9785 11.9785 11.9785 11.9785 12.2230 12.2230 12.2230 12.2230 k = 0.2264 0.1307 0.1378 ( 4832 PWs) bands (ev): -45.3015 -45.3015 -45.3015 -45.3015 -22.8470 -22.8470 -22.8470 -22.8470 -20.7765 -20.7765 -20.7765 -20.7765 -20.7137 -20.7137 -20.7137 -20.7137 -3.7301 -3.7301 -3.7301 -3.7301 -2.9037 -2.9037 -2.9037 -2.9037 4.9227 4.9227 4.9227 4.9227 6.2230 6.2230 6.2230 6.2230 6.9701 6.9701 6.9701 6.9701 7.8303 7.8303 7.8304 7.8304 8.1694 8.1694 8.1694 8.1694 8.5080 8.5080 8.5080 8.5080 9.6692 9.6692 9.6693 9.6693 11.9739 11.9739 11.9739 11.9739 12.2025 12.2025 12.2025 12.2025 k = 0.2358 0.1362 0.1378 ( 4832 PWs) bands (ev): -45.3008 -45.3008 -45.3008 -45.3008 -22.8494 -22.8494 -22.8494 -22.8494 -20.7804 -20.7804 -20.7804 -20.7804 -20.7156 -20.7156 -20.7156 -20.7156 -3.6895 -3.6895 -3.6894 -3.6894 -2.8853 -2.8853 -2.8853 -2.8853 4.9498 4.9498 4.9498 4.9498 6.1426 6.1426 6.1427 6.1427 6.9027 6.9027 6.9027 6.9027 7.7874 7.7874 7.7874 7.7874 8.1932 8.1932 8.1933 8.1933 8.4831 8.4831 8.4832 8.4832 9.6209 9.6209 9.6209 9.6209 11.9730 11.9730 11.9730 11.9730 12.1835 12.1835 12.1835 12.1835 k = 0.2453 0.1416 0.1378 ( 4840 PWs) bands (ev): -45.3001 -45.3001 -45.3001 -45.3001 -22.8518 -22.8518 -22.8518 -22.8518 -20.7846 -20.7846 -20.7846 -20.7846 -20.7172 -20.7172 -20.7172 -20.7172 -3.6482 -3.6482 -3.6481 -3.6481 -2.8667 -2.8667 -2.8667 -2.8667 4.9737 4.9737 4.9737 4.9737 6.0644 6.0644 6.0644 6.0644 6.8362 6.8362 6.8362 6.8362 7.7444 7.7444 7.7445 7.7445 8.2144 8.2144 8.2144 8.2144 8.4616 8.4616 8.4616 8.4616 9.5752 9.5752 9.5752 9.5752 11.9756 11.9756 11.9756 11.9756 12.1660 12.1660 12.1660 12.1660 k = 0.2547 0.1471 0.1378 ( 4848 PWs) bands (ev): -45.2995 -45.2995 -45.2995 -45.2995 -22.8542 -22.8542 -22.8542 -22.8542 -20.7889 -20.7889 -20.7889 -20.7889 -20.7186 -20.7186 -20.7186 -20.7186 -3.6062 -3.6062 -3.6062 -3.6062 -2.8479 -2.8479 -2.8479 -2.8479 4.9936 4.9936 4.9936 4.9936 5.9889 5.9889 5.9889 5.9889 6.7711 6.7711 6.7711 6.7711 7.7018 7.7018 7.7019 7.7019 8.2305 8.2305 8.2305 8.2305 8.4455 8.4455 8.4456 8.4456 9.5324 9.5324 9.5325 9.5325 11.9814 11.9814 11.9814 11.9814 12.1503 12.1503 12.1503 12.1503 k = 0.2642 0.1525 0.1378 ( 4848 PWs) bands (ev): -45.2988 -45.2988 -45.2988 -45.2988 -22.8566 -22.8566 -22.8566 -22.8566 -20.7935 -20.7935 -20.7935 -20.7935 -20.7198 -20.7198 -20.7198 -20.7198 -3.5638 -3.5638 -3.5638 -3.5638 -2.8290 -2.8290 -2.8290 -2.8290 5.0085 5.0085 5.0086 5.0086 5.9167 5.9167 5.9168 5.9168 6.7078 6.7078 6.7079 6.7079 7.6599 7.6599 7.6599 7.6599 8.2386 8.2386 8.2386 8.2386 8.4377 8.4377 8.4377 8.4377 9.4930 9.4930 9.4930 9.4930 11.9902 11.9902 11.9903 11.9903 12.1365 12.1365 12.1365 12.1365 k = 0.2736 0.1580 0.1378 ( 4856 PWs) bands (ev): -45.2981 -45.2981 -45.2981 -45.2981 -22.8591 -22.8591 -22.8591 -22.8591 -20.7981 -20.7981 -20.7981 -20.7981 -20.7208 -20.7208 -20.7208 -20.7208 -3.5210 -3.5210 -3.5210 -3.5210 -2.8101 -2.8101 -2.8101 -2.8101 5.0177 5.0177 5.0177 5.0177 5.8486 5.8486 5.8487 5.8487 6.6469 6.6469 6.6469 6.6469 7.6187 7.6187 7.6187 7.6187 8.2371 8.2371 8.2371 8.2371 8.4396 8.4396 8.4397 8.4397 9.4571 9.4571 9.4572 9.4572 12.0017 12.0017 12.0017 12.0017 12.1248 12.1248 12.1248 12.1248 k = 0.2830 0.1634 0.1378 ( 4864 PWs) bands (ev): -45.2975 -45.2975 -45.2975 -45.2975 -22.8615 -22.8615 -22.8615 -22.8615 -20.8029 -20.8029 -20.8029 -20.8029 -20.7217 -20.7217 -20.7217 -20.7217 -3.4780 -3.4780 -3.4780 -3.4780 -2.7913 -2.7913 -2.7912 -2.7912 5.0200 5.0200 5.0201 5.0201 5.7852 5.7852 5.7852 5.7852 6.5888 6.5888 6.5888 6.5888 7.5785 7.5785 7.5785 7.5785 8.2268 8.2268 8.2268 8.2268 8.4506 8.4506 8.4506 8.4506 9.4251 9.4251 9.4251 9.4251 12.0155 12.0155 12.0156 12.0156 12.1153 12.1153 12.1153 12.1153 k = 0.2925 0.1688 0.1378 ( 4844 PWs) bands (ev): -45.2966 -45.2966 -45.2966 -45.2966 -22.8639 -22.8639 -22.8639 -22.8639 -20.8076 -20.8076 -20.8076 -20.8076 -20.7224 -20.7224 -20.7224 -20.7224 -3.4349 -3.4349 -3.4349 -3.4349 -2.7725 -2.7725 -2.7725 -2.7725 5.0148 5.0148 5.0149 5.0149 5.7269 5.7269 5.7270 5.7270 6.5341 6.5341 6.5341 6.5341 7.5394 7.5394 7.5394 7.5394 8.2104 8.2104 8.2104 8.2104 8.4679 8.4679 8.4679 8.4679 9.3971 9.3971 9.3971 9.3971 12.0313 12.0313 12.0313 12.0313 12.1083 12.1083 12.1083 12.1083 k = 0.3019 0.1743 0.1378 ( 4832 PWs) bands (ev): -45.2959 -45.2959 -45.2959 -45.2959 -22.8662 -22.8662 -22.8662 -22.8662 -20.8124 -20.8124 -20.8124 -20.8124 -20.7230 -20.7230 -20.7230 -20.7230 -3.3919 -3.3919 -3.3918 -3.3918 -2.7540 -2.7540 -2.7540 -2.7540 5.0016 5.0016 5.0017 5.0017 5.6741 5.6741 5.6742 5.6742 6.4831 6.4831 6.4832 6.4832 7.5015 7.5015 7.5016 7.5016 8.1905 8.1905 8.1906 8.1906 8.4888 8.4888 8.4888 8.4888 9.3733 9.3733 9.3733 9.3733 12.0480 12.0480 12.0481 12.0481 12.1045 12.1045 12.1045 12.1045 k = 0.3113 0.1797 0.1378 ( 4830 PWs) bands (ev): -45.2952 -45.2952 -45.2952 -45.2952 -22.8686 -22.8686 -22.8686 -22.8686 -20.8172 -20.8172 -20.8172 -20.8172 -20.7235 -20.7235 -20.7235 -20.7235 -3.3491 -3.3491 -3.3490 -3.3490 -2.7358 -2.7358 -2.7358 -2.7358 4.9803 4.9803 4.9804 4.9804 5.6266 5.6266 5.6267 5.6267 6.4364 6.4364 6.4365 6.4365 7.4650 7.4650 7.4650 7.4650 8.1690 8.1690 8.1690 8.1690 8.5115 8.5115 8.5115 8.5115 9.3537 9.3537 9.3537 9.3537 12.0640 12.0640 12.0641 12.0641 12.1054 12.1054 12.1054 12.1054 k = 0.3208 0.1852 0.1378 ( 4836 PWs) bands (ev): -45.2946 -45.2946 -45.2946 -45.2946 -22.8708 -22.8708 -22.8708 -22.8708 -20.8219 -20.8219 -20.8219 -20.8219 -20.7239 -20.7239 -20.7239 -20.7239 -3.3066 -3.3066 -3.3065 -3.3065 -2.7180 -2.7180 -2.7179 -2.7179 4.9515 4.9515 4.9516 4.9516 5.5839 5.5839 5.5839 5.5839 6.3942 6.3942 6.3942 6.3942 7.4298 7.4298 7.4298 7.4298 8.1469 8.1469 8.1470 8.1470 8.5349 8.5349 8.5349 8.5349 9.3383 9.3383 9.3383 9.3383 12.0757 12.0757 12.0757 12.0757 12.1144 12.1144 12.1144 12.1144 k = 0.3302 0.1906 0.1378 ( 4836 PWs) bands (ev): -45.2940 -45.2940 -45.2940 -45.2940 -22.8731 -22.8731 -22.8731 -22.8731 -20.8265 -20.8265 -20.8265 -20.8265 -20.7243 -20.7243 -20.7243 -20.7243 -3.2646 -3.2646 -3.2646 -3.2646 -2.7006 -2.7006 -2.7005 -2.7005 4.9163 4.9163 4.9163 4.9163 5.5450 5.5450 5.5450 5.5450 6.3566 6.3566 6.3566 6.3566 7.3960 7.3960 7.3960 7.3960 8.1251 8.1251 8.1251 8.1251 8.5583 8.5583 8.5583 8.5583 9.3270 9.3270 9.3271 9.3271 12.0820 12.0820 12.0820 12.0820 12.1321 12.1321 12.1322 12.1322 k = 0.3396 0.1961 0.1378 ( 4844 PWs) bands (ev): -45.2934 -45.2934 -45.2934 -45.2934 -22.8752 -22.8752 -22.8752 -22.8752 -20.8310 -20.8310 -20.8310 -20.8310 -20.7246 -20.7246 -20.7246 -20.7246 -3.2234 -3.2234 -3.2233 -3.2233 -2.6837 -2.6837 -2.6837 -2.6837 4.8759 4.8759 4.8759 4.8759 5.5089 5.5089 5.5089 5.5089 6.3236 6.3236 6.3237 6.3237 7.3638 7.3638 7.3638 7.3638 8.1039 8.1039 8.1039 8.1039 8.5813 8.5813 8.5813 8.5813 9.3198 9.3198 9.3198 9.3198 12.0865 12.0865 12.0865 12.0865 12.1550 12.1550 12.1550 12.1550 k = 0.3491 0.2015 0.1378 ( 4846 PWs) bands (ev): -45.2928 -45.2928 -45.2928 -45.2928 -22.8773 -22.8773 -22.8773 -22.8773 -20.8353 -20.8353 -20.8353 -20.8353 -20.7248 -20.7248 -20.7248 -20.7248 -3.1829 -3.1829 -3.1829 -3.1829 -2.6675 -2.6675 -2.6675 -2.6675 4.8319 4.8319 4.8319 4.8319 5.4747 5.4747 5.4748 5.4748 6.2952 6.2952 6.2953 6.2953 7.3331 7.3331 7.3332 7.3332 8.0838 8.0838 8.0838 8.0838 8.6035 8.6035 8.6035 8.6035 9.3164 9.3164 9.3164 9.3164 12.0912 12.0912 12.0912 12.0912 12.1804 12.1804 12.1804 12.1804 k = 0.3585 0.2070 0.1378 ( 4850 PWs) bands (ev): -45.2923 -45.2923 -45.2923 -45.2923 -22.8794 -22.8794 -22.8794 -22.8794 -20.8395 -20.8395 -20.8395 -20.8395 -20.7250 -20.7250 -20.7250 -20.7250 -3.1435 -3.1435 -3.1435 -3.1435 -2.6520 -2.6520 -2.6520 -2.6520 4.7856 4.7856 4.7856 4.7856 5.4417 5.4417 5.4418 5.4418 6.2709 6.2709 6.2710 6.2710 7.3041 7.3041 7.3041 7.3041 8.0648 8.0648 8.0648 8.0648 8.6247 8.6247 8.6247 8.6247 9.3165 9.3165 9.3165 9.3165 12.0969 12.0969 12.0969 12.0969 12.2075 12.2075 12.2075 12.2075 k = 0.3679 0.2124 0.1378 ( 4844 PWs) bands (ev): -45.2917 -45.2917 -45.2917 -45.2917 -22.8813 -22.8813 -22.8813 -22.8813 -20.8435 -20.8435 -20.8435 -20.8435 -20.7251 -20.7251 -20.7251 -20.7251 -3.1053 -3.1053 -3.1053 -3.1053 -2.6373 -2.6373 -2.6373 -2.6373 4.7383 4.7383 4.7383 4.7383 5.4095 5.4095 5.4096 5.4096 6.2504 6.2504 6.2505 6.2505 7.2768 7.2768 7.2768 7.2768 8.0471 8.0471 8.0471 8.0471 8.6449 8.6449 8.6449 8.6449 9.3198 9.3198 9.3198 9.3198 12.1035 12.1035 12.1035 12.1035 12.2358 12.2358 12.2358 12.2358 k = 0.3774 0.2179 0.1378 ( 4852 PWs) bands (ev): -45.2913 -45.2913 -45.2913 -45.2913 -22.8831 -22.8831 -22.8831 -22.8831 -20.8473 -20.8473 -20.8473 -20.8473 -20.7253 -20.7253 -20.7253 -20.7253 -3.0685 -3.0685 -3.0685 -3.0685 -2.6235 -2.6235 -2.6234 -2.6234 4.6910 4.6910 4.6910 4.6910 5.3780 5.3780 5.3781 5.3781 6.2332 6.2332 6.2332 6.2332 7.2511 7.2511 7.2511 7.2511 8.0309 8.0309 8.0309 8.0309 8.6638 8.6638 8.6638 8.6638 9.3259 9.3259 9.3260 9.3260 12.1112 12.1112 12.1112 12.1112 12.2650 12.2650 12.2650 12.2650 k = 0.3868 0.2233 0.1378 ( 4848 PWs) bands (ev): -45.2908 -45.2908 -45.2908 -45.2908 -22.8849 -22.8849 -22.8849 -22.8849 -20.8509 -20.8509 -20.8509 -20.8509 -20.7253 -20.7253 -20.7253 -20.7253 -3.0333 -3.0333 -3.0332 -3.0332 -2.6106 -2.6106 -2.6105 -2.6105 4.6446 4.6446 4.6447 4.6447 5.3472 5.3472 5.3473 5.3473 6.2187 6.2187 6.2187 6.2187 7.2273 7.2273 7.2273 7.2273 8.0161 8.0161 8.0161 8.0161 8.6814 8.6814 8.6814 8.6814 9.3344 9.3344 9.3345 9.3345 12.1196 12.1196 12.1196 12.1196 12.2948 12.2948 12.2948 12.2948 k = 0.3962 0.2288 0.1378 ( 4848 PWs) bands (ev): -45.2903 -45.2903 -45.2903 -45.2903 -22.8865 -22.8865 -22.8865 -22.8865 -20.8542 -20.8542 -20.8542 -20.8542 -20.7254 -20.7254 -20.7254 -20.7254 -2.9998 -2.9998 -2.9997 -2.9997 -2.5987 -2.5987 -2.5986 -2.5986 4.5999 4.5999 4.5999 4.5999 5.3174 5.3174 5.3174 5.3174 6.2065 6.2065 6.2066 6.2066 7.2052 7.2052 7.2052 7.2052 8.0028 8.0028 8.0028 8.0028 8.6977 8.6977 8.6977 8.6977 9.3449 9.3449 9.3449 9.3449 12.1286 12.1286 12.1287 12.1287 12.3249 12.3249 12.3249 12.3249 k = 0.4057 0.2342 0.1378 ( 4844 PWs) bands (ev): -45.2899 -45.2899 -45.2899 -45.2899 -22.8880 -22.8880 -22.8880 -22.8880 -20.8573 -20.8573 -20.8573 -20.8573 -20.7255 -20.7255 -20.7255 -20.7255 -2.9682 -2.9682 -2.9681 -2.9681 -2.5878 -2.5878 -2.5878 -2.5878 4.5575 4.5575 4.5575 4.5575 5.2888 5.2888 5.2889 5.2889 6.1963 6.1963 6.1964 6.1964 7.1849 7.1849 7.1849 7.1849 7.9909 7.9909 7.9909 7.9909 8.7127 8.7127 8.7127 8.7127 9.3568 9.3568 9.3568 9.3568 12.1381 12.1381 12.1381 12.1381 12.3551 12.3551 12.3551 12.3551 k = 0.4151 0.2397 0.1378 ( 4846 PWs) bands (ev): -45.2895 -45.2895 -45.2895 -45.2895 -22.8893 -22.8893 -22.8893 -22.8893 -20.8602 -20.8602 -20.8602 -20.8602 -20.7255 -20.7255 -20.7255 -20.7255 -2.9388 -2.9388 -2.9387 -2.9387 -2.5781 -2.5781 -2.5780 -2.5780 4.5177 4.5177 4.5178 4.5178 5.2619 5.2619 5.2619 5.2619 6.1876 6.1876 6.1877 6.1877 7.1665 7.1665 7.1665 7.1665 7.9804 7.9804 7.9804 7.9804 8.7262 8.7262 8.7262 8.7262 9.3696 9.3696 9.3697 9.3697 12.1476 12.1476 12.1476 12.1476 12.3850 12.3850 12.3850 12.3850 k = 0.4245 0.2451 0.1378 ( 4854 PWs) bands (ev): -45.2892 -45.2892 -45.2892 -45.2892 -22.8906 -22.8906 -22.8906 -22.8906 -20.8627 -20.8627 -20.8627 -20.8627 -20.7255 -20.7255 -20.7255 -20.7255 -2.9117 -2.9117 -2.9116 -2.9116 -2.5694 -2.5694 -2.5694 -2.5694 4.4812 4.4812 4.4812 4.4812 5.2368 5.2368 5.2368 5.2368 6.1803 6.1803 6.1803 6.1803 7.1499 7.1499 7.1500 7.1500 7.9713 7.9713 7.9713 7.9713 8.7383 8.7383 8.7383 8.7383 9.3829 9.3829 9.3829 9.3829 12.1570 12.1570 12.1570 12.1570 12.4143 12.4143 12.4143 12.4143 k = 0.4340 0.2505 0.1378 ( 4864 PWs) bands (ev): -45.2890 -45.2890 -45.2890 -45.2890 -22.8917 -22.8917 -22.8917 -22.8917 -20.8650 -20.8650 -20.8650 -20.8650 -20.7256 -20.7256 -20.7256 -20.7256 -2.8871 -2.8871 -2.8871 -2.8871 -2.5619 -2.5619 -2.5619 -2.5619 4.4482 4.4482 4.4482 4.4482 5.2139 5.2139 5.2140 5.2140 6.1741 6.1741 6.1741 6.1741 7.1353 7.1353 7.1353 7.1353 7.9634 7.9634 7.9634 7.9634 8.7489 8.7489 8.7489 8.7489 9.3960 9.3960 9.3961 9.3961 12.1659 12.1659 12.1660 12.1660 12.4425 12.4425 12.4425 12.4425 k = 0.4434 0.2560 0.1378 ( 4864 PWs) bands (ev): -45.2887 -45.2887 -45.2887 -45.2887 -22.8927 -22.8927 -22.8927 -22.8927 -20.8670 -20.8670 -20.8670 -20.8670 -20.7256 -20.7256 -20.7256 -20.7256 -2.8653 -2.8653 -2.8652 -2.8652 -2.5556 -2.5556 -2.5555 -2.5555 4.4190 4.4190 4.4190 4.4190 5.1936 5.1936 5.1936 5.1936 6.1688 6.1688 6.1689 6.1689 7.1226 7.1226 7.1226 7.1226 7.9568 7.9568 7.9568 7.9568 8.7581 8.7581 8.7581 8.7581 9.4086 9.4086 9.4087 9.4087 12.1743 12.1743 12.1743 12.1743 12.4692 12.4692 12.4692 12.4692 k = 0.4528 0.2614 0.1378 ( 4862 PWs) bands (ev): -45.2885 -45.2885 -45.2885 -45.2885 -22.8935 -22.8935 -22.8935 -22.8935 -20.8687 -20.8687 -20.8687 -20.8687 -20.7256 -20.7256 -20.7256 -20.7256 -2.8464 -2.8464 -2.8463 -2.8463 -2.5503 -2.5503 -2.5502 -2.5502 4.3939 4.3939 4.3939 4.3939 5.1760 5.1760 5.1760 5.1760 6.1645 6.1645 6.1645 6.1645 7.1118 7.1118 7.1118 7.1118 7.9513 7.9513 7.9513 7.9513 8.7659 8.7659 8.7659 8.7659 9.4202 9.4202 9.4202 9.4202 12.1818 12.1818 12.1818 12.1818 12.4936 12.4936 12.4936 12.4936 k = 0.4623 0.2669 0.1378 ( 4862 PWs) bands (ev): -45.2883 -45.2883 -45.2883 -45.2883 -22.8942 -22.8942 -22.8942 -22.8942 -20.8701 -20.8701 -20.8701 -20.8701 -20.7256 -20.7256 -20.7256 -20.7256 -2.8306 -2.8306 -2.8306 -2.8306 -2.5461 -2.5461 -2.5460 -2.5460 4.3731 4.3731 4.3731 4.3731 5.1613 5.1613 5.1613 5.1613 6.1609 6.1609 6.1610 6.1610 7.1029 7.1029 7.1029 7.1029 7.9469 7.9469 7.9469 7.9469 8.7723 8.7723 8.7723 8.7723 9.4303 9.4303 9.4303 9.4303 12.1883 12.1883 12.1883 12.1883 12.5151 12.5151 12.5151 12.5151 k = 0.4717 0.2723 0.1378 ( 4870 PWs) bands (ev): -45.2882 -45.2882 -45.2882 -45.2882 -22.8948 -22.8948 -22.8948 -22.8948 -20.8712 -20.8712 -20.8712 -20.8712 -20.7256 -20.7256 -20.7256 -20.7256 -2.8181 -2.8181 -2.8181 -2.8181 -2.5429 -2.5429 -2.5428 -2.5428 4.3567 4.3567 4.3567 4.3567 5.1497 5.1497 5.1497 5.1497 6.1582 6.1582 6.1583 6.1583 7.0960 7.0960 7.0960 7.0960 7.9435 7.9435 7.9435 7.9435 8.7772 8.7772 8.7772 8.7772 9.4385 9.4385 9.4385 9.4385 12.1935 12.1935 12.1935 12.1935 12.5329 12.5329 12.5329 12.5329 k = 0.4811 0.2778 0.1378 ( 4866 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8951 -22.8951 -22.8951 -22.8951 -20.8720 -20.8720 -20.8720 -20.8720 -20.7256 -20.7256 -20.7256 -20.7256 -2.8091 -2.8091 -2.8090 -2.8090 -2.5407 -2.5407 -2.5406 -2.5406 4.3450 4.3450 4.3450 4.3450 5.1413 5.1413 5.1413 5.1413 6.1563 6.1563 6.1563 6.1563 7.0911 7.0911 7.0911 7.0911 7.9411 7.9411 7.9411 7.9411 8.7807 8.7807 8.7807 8.7807 9.4446 9.4446 9.4447 9.4447 12.1973 12.1973 12.1973 12.1973 12.5464 12.5464 12.5464 12.5464 k = 0.4906 0.2832 0.1378 ( 4874 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8954 -22.8954 -22.8954 -22.8954 -20.8725 -20.8725 -20.8725 -20.8725 -20.7256 -20.7256 -20.7256 -20.7256 -2.8036 -2.8036 -2.8035 -2.8035 -2.5393 -2.5393 -2.5393 -2.5393 4.3379 4.3379 4.3379 4.3379 5.1363 5.1363 5.1363 5.1363 6.1551 6.1551 6.1552 6.1552 7.0881 7.0881 7.0881 7.0881 7.9397 7.9397 7.9397 7.9397 8.7828 8.7828 8.7828 8.7828 9.4484 9.4484 9.4484 9.4484 12.1997 12.1997 12.1997 12.1997 12.5547 12.5547 12.5547 12.5547 k = 0.5000 0.2887 0.1378 ( 4876 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8018 -2.8018 -2.8017 -2.8017 -2.5389 -2.5389 -2.5388 -2.5388 4.3355 4.3355 4.3355 4.3355 5.1346 5.1346 5.1346 5.1346 6.1547 6.1547 6.1548 6.1548 7.0871 7.0871 7.0871 7.0871 7.9392 7.9392 7.9393 7.9393 8.7835 8.7835 8.7835 8.7835 9.4496 9.4496 9.4497 9.4497 12.2004 12.2004 12.2004 12.2004 12.5575 12.5575 12.5575 12.5575 k = 0.5000 0.2887 0.1378 ( 4876 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8018 -2.8018 -2.8017 -2.8017 -2.5389 -2.5389 -2.5388 -2.5388 4.3355 4.3355 4.3355 4.3355 5.1346 5.1346 5.1346 5.1346 6.1547 6.1547 6.1548 6.1548 7.0871 7.0871 7.0871 7.0871 7.9392 7.9392 7.9393 7.9393 8.7835 8.7835 8.7835 8.7835 9.4496 9.4496 9.4497 9.4497 12.2004 12.2004 12.2004 12.2004 12.5575 12.5575 12.5575 12.5575 k = 0.4946 0.2980 0.1378 ( 4870 PWs) bands (ev): -45.2880 -45.2880 -45.2880 -45.2880 -22.8960 -22.8960 -22.8949 -22.8949 -20.8734 -20.8734 -20.8719 -20.8719 -20.7257 -20.7257 -20.7257 -20.7257 -2.8022 -2.8022 -2.8003 -2.8003 -2.5388 -2.5388 -2.5385 -2.5385 4.3361 4.3361 4.3379 4.3379 5.1317 5.1317 5.1370 5.1370 6.1541 6.1541 6.1556 6.1556 7.0818 7.0818 7.0897 7.0897 7.9376 7.9376 7.9417 7.9417 8.7635 8.7635 8.7813 8.7813 9.4438 9.4438 9.4674 9.4674 12.1977 12.1977 12.2037 12.2037 12.5526 12.5526 12.5653 12.5653 k = 0.4892 0.3073 0.1378 ( 4866 PWs) bands (ev): -45.2880 -45.2880 -45.2880 -45.2880 -22.8966 -22.8966 -22.8944 -22.8944 -20.8741 -20.8741 -20.8710 -20.8710 -20.7260 -20.7260 -20.7260 -20.7260 -2.8017 -2.8017 -2.7980 -2.7980 -2.5382 -2.5382 -2.5378 -2.5378 4.3396 4.3396 4.3433 4.3433 5.1285 5.1285 5.1391 5.1391 6.1535 6.1535 6.1566 6.1566 7.0738 7.0738 7.0897 7.0897 7.9368 7.9368 7.9448 7.9448 8.7240 8.7240 8.7567 8.7567 9.4502 9.4502 9.4946 9.4946 12.1953 12.1953 12.2072 12.2072 12.5506 12.5506 12.5757 12.5757 k = 0.4839 0.3166 0.1378 ( 4866 PWs) bands (ev): -45.2879 -45.2879 -45.2879 -45.2879 -22.8973 -22.8973 -22.8939 -22.8939 -20.8747 -20.8747 -20.8701 -20.8701 -20.7265 -20.7265 -20.7265 -20.7265 -2.8004 -2.8004 -2.7948 -2.7948 -2.5372 -2.5372 -2.5365 -2.5365 4.3461 4.3461 4.3517 4.3517 5.1249 5.1249 5.1409 5.1409 6.1531 6.1531 6.1576 6.1576 7.0632 7.0632 7.0871 7.0871 7.9365 7.9365 7.9484 7.9484 8.6687 8.6687 8.7122 8.7122 9.4666 9.4666 9.5276 9.5276 12.1932 12.1932 12.2106 12.2106 12.5516 12.5516 12.5887 12.5887 k = 0.4785 0.3259 0.1378 ( 4856 PWs) bands (ev): -45.2878 -45.2878 -45.2878 -45.2878 -22.8979 -22.8979 -22.8934 -22.8934 -20.8753 -20.8753 -20.8691 -20.8691 -20.7272 -20.7272 -20.7271 -20.7271 -2.7981 -2.7981 -2.7907 -2.7907 -2.5357 -2.5357 -2.5349 -2.5349 4.3556 4.3556 4.3630 4.3630 5.1208 5.1208 5.1422 5.1422 6.1529 6.1529 6.1588 6.1588 7.0503 7.0503 7.0824 7.0824 7.9365 7.9365 7.9519 7.9519 8.6013 8.6013 8.6517 8.6517 9.4899 9.4899 9.5636 9.5636 12.1911 12.1911 12.2135 12.2135 12.5558 12.5558 12.6042 12.6042 k = 0.4731 0.3352 0.1378 ( 4852 PWs) bands (ev): -45.2877 -45.2877 -45.2877 -45.2877 -22.8986 -22.8986 -22.8930 -22.8930 -20.8758 -20.8758 -20.8680 -20.8680 -20.7280 -20.7280 -20.7280 -20.7280 -2.7949 -2.7949 -2.7857 -2.7857 -2.5339 -2.5339 -2.5328 -2.5328 4.3680 4.3680 4.3773 4.3773 5.1162 5.1162 5.1431 5.1431 6.1528 6.1528 6.1599 6.1599 7.0355 7.0355 7.0758 7.0758 7.9362 7.9362 7.9548 7.9548 8.5248 8.5248 8.5791 8.5791 9.5169 9.5169 9.6002 9.6002 12.1885 12.1885 12.2153 12.2153 12.5630 12.5630 12.6218 12.6218 k = 0.4677 0.3445 0.1378 ( 4840 PWs) bands (ev): -45.2876 -45.2876 -45.2876 -45.2876 -22.8993 -22.8993 -22.8926 -22.8926 -20.8763 -20.8763 -20.8669 -20.8669 -20.7291 -20.7291 -20.7290 -20.7290 -2.7909 -2.7909 -2.7799 -2.7799 -2.5316 -2.5316 -2.5303 -2.5303 4.3832 4.3832 4.3945 4.3945 5.1111 5.1111 5.1435 5.1435 6.1529 6.1529 6.1611 6.1611 7.0193 7.0193 7.0679 7.0679 7.9350 7.9350 7.9560 7.9560 8.4421 8.4421 8.4979 8.4979 9.5455 9.5455 9.6361 9.6361 12.1850 12.1850 12.2153 12.2153 12.5733 12.5733 12.6414 12.6414 k = 0.4624 0.3539 0.1378 ( 4834 PWs) bands (ev): -45.2875 -45.2875 -45.2875 -45.2875 -22.9000 -22.9000 -22.8923 -22.8923 -20.8767 -20.8767 -20.8657 -20.8657 -20.7304 -20.7304 -20.7301 -20.7301 -2.7860 -2.7860 -2.7732 -2.7732 -2.5289 -2.5289 -2.5274 -2.5274 4.4014 4.4014 4.4146 4.4146 5.1053 5.1053 5.1433 5.1433 6.1531 6.1531 6.1622 6.1622 7.0020 7.0020 7.0591 7.0591 7.9315 7.9315 7.9540 7.9540 8.3559 8.3559 8.4111 8.4111 9.5741 9.5741 9.6706 9.6706 12.1801 12.1801 12.2130 12.2130 12.5864 12.5864 12.6627 12.6627 k = 0.4570 0.3632 0.1378 ( 4838 PWs) bands (ev): -45.2874 -45.2874 -45.2874 -45.2874 -22.9008 -22.9008 -22.8920 -22.8920 -20.8771 -20.8771 -20.8645 -20.8645 -20.7319 -20.7319 -20.7314 -20.7314 -2.7803 -2.7803 -2.7658 -2.7658 -2.5259 -2.5259 -2.5242 -2.5242 4.4223 4.4223 4.4375 4.4375 5.0988 5.0988 5.1425 5.1425 6.1535 6.1535 6.1632 6.1632 6.9841 6.9841 7.0497 7.0497 7.9238 7.9238 7.9458 7.9458 8.2703 8.2703 8.3223 8.3223 9.6020 9.6020 9.7031 9.7031 12.1732 12.1732 12.2077 12.2077 12.6021 12.6021 12.6850 12.6850 k = 0.4516 0.3725 0.1378 ( 4850 PWs) bands (ev): -45.2874 -45.2874 -45.2874 -45.2874 -22.9016 -22.9016 -22.8917 -22.8917 -20.8774 -20.8774 -20.8632 -20.8632 -20.7335 -20.7335 -20.7328 -20.7328 -2.7739 -2.7739 -2.7576 -2.7576 -2.5226 -2.5226 -2.5207 -2.5207 4.4460 4.4460 4.4633 4.4633 5.0916 5.0916 5.1410 5.1410 6.1539 6.1539 6.1640 6.1640 6.9662 6.9662 7.0403 7.0403 7.9081 7.9081 7.9255 7.9255 8.1917 8.1917 8.2361 8.2361 9.6288 9.6288 9.7338 9.7338 12.1640 12.1640 12.1992 12.1992 12.6197 12.6197 12.7080 12.7080 k = 0.4462 0.3818 0.1378 ( 4840 PWs) bands (ev): -45.2872 -45.2872 -45.2872 -45.2872 -22.9023 -22.9023 -22.8915 -22.8915 -20.8778 -20.8778 -20.8618 -20.8618 -20.7353 -20.7353 -20.7342 -20.7342 -2.7667 -2.7667 -2.7487 -2.7487 -2.5190 -2.5190 -2.5170 -2.5170 4.4724 4.4724 4.4919 4.4919 5.0835 5.0835 5.1387 5.1387 6.1545 6.1545 6.1647 6.1647 6.9487 6.9487 7.0312 7.0312 7.8781 7.8781 7.8840 7.8840 8.1299 8.1299 8.1599 8.1599 9.6544 9.6544 9.7626 9.7626 12.1520 12.1520 12.1870 12.1870 12.6385 12.6385 12.7308 12.7308 k = 0.4409 0.3911 0.1378 ( 4840 PWs) bands (ev): -45.2871 -45.2871 -45.2871 -45.2871 -22.9031 -22.9031 -22.8913 -22.8913 -20.8781 -20.8781 -20.8605 -20.8605 -20.7372 -20.7372 -20.7358 -20.7358 -2.7589 -2.7589 -2.7392 -2.7392 -2.5152 -2.5152 -2.5129 -2.5129 4.5015 4.5015 4.5232 4.5232 5.0747 5.0747 5.1355 5.1355 6.1551 6.1551 6.1651 6.1651 6.9319 6.9319 7.0228 7.0228 7.8163 7.8163 7.8259 7.8259 8.0905 8.0905 8.1021 8.1021 9.6788 9.6788 9.7899 9.7899 12.1372 12.1372 12.1713 12.1713 12.6573 12.6573 12.7523 12.7523 k = 0.4355 0.4004 0.1378 ( 4844 PWs) bands (ev): -45.2870 -45.2870 -45.2870 -45.2870 -22.9039 -22.9039 -22.8912 -22.8912 -20.8783 -20.8783 -20.8590 -20.8590 -20.7392 -20.7392 -20.7374 -20.7374 -2.7504 -2.7504 -2.7291 -2.7291 -2.5112 -2.5112 -2.5087 -2.5087 4.5330 4.5330 4.5571 4.5571 5.0650 5.0650 5.1315 5.1315 6.1558 6.1558 6.1653 6.1653 6.9163 6.9163 7.0154 7.0154 7.7283 7.7283 7.7500 7.7500 8.0648 8.0648 8.0680 8.0680 9.7024 9.7024 9.8160 9.8160 12.1193 12.1193 12.1519 12.1519 12.6750 12.6750 12.7714 12.7714 k = 0.4301 0.4097 0.1378 ( 4840 PWs) bands (ev): -45.2868 -45.2868 -45.2868 -45.2868 -22.9047 -22.9047 -22.8910 -22.8910 -20.8786 -20.8786 -20.8576 -20.8576 -20.7414 -20.7414 -20.7391 -20.7391 -2.7413 -2.7413 -2.7185 -2.7185 -2.5070 -2.5070 -2.5044 -2.5044 4.5671 4.5671 4.5936 4.5936 5.0545 5.0545 5.1265 5.1265 6.1565 6.1565 6.1652 6.1652 6.9021 6.9021 7.0092 7.0092 7.6291 7.6291 7.6573 7.6573 8.0418 8.0418 8.0539 8.0539 9.7253 9.7253 9.8412 9.8412 12.0983 12.0983 12.1290 12.1290 12.6902 12.6902 12.7866 12.7866 k = 0.4247 0.4190 0.1378 ( 4836 PWs) bands (ev): -45.2866 -45.2866 -45.2866 -45.2866 -22.9054 -22.9054 -22.8909 -22.8909 -20.8789 -20.8789 -20.8561 -20.8561 -20.7437 -20.7437 -20.7408 -20.7408 -2.7318 -2.7318 -2.7074 -2.7074 -2.5027 -2.5027 -2.5000 -2.5000 4.6035 4.6035 4.6327 4.6327 5.0432 5.0432 5.1205 5.1205 6.1572 6.1572 6.1647 6.1647 6.8894 6.8894 7.0043 7.0043 7.5244 7.5244 7.5553 7.5553 8.0262 8.0262 8.0431 8.0431 9.7480 9.7480 9.8659 9.8659 12.0745 12.0745 12.1029 12.1029 12.7016 12.7016 12.7967 12.7967 k = 0.4194 0.4284 0.1378 ( 4846 PWs) bands (ev): -45.2866 -45.2866 -45.2866 -45.2866 -22.9062 -22.9062 -22.8909 -22.8909 -20.8791 -20.8791 -20.8546 -20.8546 -20.7460 -20.7460 -20.7425 -20.7425 -2.7218 -2.7218 -2.6960 -2.6960 -2.4983 -2.4983 -2.4955 -2.4955 4.6421 4.6421 4.6741 4.6741 5.0312 5.0312 5.1136 5.1136 6.1578 6.1578 6.1639 6.1639 6.8782 6.8782 7.0007 7.0007 7.4175 7.4175 7.4489 7.4489 8.0137 8.0137 8.0331 8.0331 9.7705 9.7705 9.8904 9.8904 12.0479 12.0479 12.0738 12.0738 12.7079 12.7079 12.8004 12.8004 k = 0.4140 0.4377 0.1378 ( 4852 PWs) bands (ev): -45.2865 -45.2865 -45.2864 -45.2864 -22.9070 -22.9070 -22.8909 -22.8909 -20.8794 -20.8794 -20.8531 -20.8531 -20.7484 -20.7484 -20.7442 -20.7442 -2.7115 -2.7115 -2.6842 -2.6842 -2.4939 -2.4939 -2.4910 -2.4910 4.6828 4.6828 4.7179 4.7179 5.0187 5.0187 5.1058 5.1058 6.1581 6.1581 6.1627 6.1627 6.8684 6.8684 6.9979 6.9979 7.3106 7.3106 7.3409 7.3409 8.0023 8.0023 8.0226 8.0226 9.7932 9.7932 9.9151 9.9151 12.0188 12.0188 12.0421 12.0421 12.7087 12.7087 12.7976 12.7976 k = 0.4086 0.4470 0.1378 ( 4844 PWs) bands (ev): -45.2863 -45.2863 -45.2862 -45.2862 -22.9077 -22.9077 -22.8909 -22.8909 -20.8797 -20.8797 -20.8516 -20.8516 -20.7508 -20.7508 -20.7459 -20.7459 -2.7010 -2.7010 -2.6722 -2.6722 -2.4896 -2.4896 -2.4867 -2.4867 4.7252 4.7252 4.7639 4.7639 5.0060 5.0060 5.0973 5.0973 6.1580 6.1580 6.1609 6.1609 6.8593 6.8593 6.9947 6.9947 7.2065 7.2065 7.2339 7.2339 7.9910 7.9910 8.0111 8.0111 9.8163 9.8163 9.9402 9.9402 11.9877 11.9877 12.0082 12.0082 12.7038 12.7038 12.7885 12.7885 k = 0.4032 0.4563 0.1378 ( 4844 PWs) bands (ev): -45.2861 -45.2861 -45.2861 -45.2861 -22.9084 -22.9084 -22.8909 -22.8909 -20.8800 -20.8800 -20.8501 -20.8501 -20.7532 -20.7532 -20.7475 -20.7475 -2.6902 -2.6902 -2.6601 -2.6601 -2.4854 -2.4854 -2.4825 -2.4825 4.7690 4.7690 4.8118 4.8118 4.9934 4.9934 5.0882 5.0882 6.1573 6.1573 6.1584 6.1584 6.8495 6.8495 6.9854 6.9854 7.1119 7.1119 7.1306 7.1306 7.9791 7.9791 7.9982 7.9982 9.8400 9.8400 9.9659 9.9659 11.9548 11.9548 11.9724 11.9724 12.6940 12.6940 12.7744 12.7744 k = 0.3978 0.4656 0.1378 ( 4844 PWs) bands (ev): -45.2860 -45.2860 -45.2859 -45.2859 -22.9091 -22.9091 -22.8910 -22.8910 -20.8803 -20.8803 -20.8487 -20.8487 -20.7556 -20.7556 -20.7490 -20.7490 -2.6794 -2.6794 -2.6479 -2.6479 -2.4814 -2.4814 -2.4785 -2.4785 4.8132 4.8132 4.8613 4.8613 4.9818 4.9818 5.0790 5.0790 6.1549 6.1549 6.1554 6.1554 6.8346 6.8346 6.9454 6.9454 7.0362 7.0362 7.0522 7.0522 7.9665 7.9665 7.9839 7.9839 9.8642 9.8642 9.9923 9.9923 11.9206 11.9206 11.9352 11.9352 12.6804 12.6804 12.7565 12.7565 k = 0.3925 0.4749 0.1378 ( 4856 PWs) bands (ev): -45.2859 -45.2859 -45.2859 -45.2859 -22.9098 -22.9098 -22.8910 -22.8910 -20.8806 -20.8806 -20.8473 -20.8473 -20.7580 -20.7580 -20.7505 -20.7505 -2.6686 -2.6686 -2.6358 -2.6358 -2.4775 -2.4775 -2.4747 -2.4747 4.8557 4.8557 4.9117 4.9117 4.9736 4.9736 5.0704 5.0704 6.1498 6.1498 6.1519 6.1519 6.8039 6.8039 6.8649 6.8649 6.9626 6.9626 7.0384 7.0384 7.9530 7.9530 7.9682 7.9682 9.8890 9.8890 10.0194 10.0194 11.8855 11.8855 11.8970 11.8970 12.6642 12.6642 12.7366 12.7366 k = 0.3871 0.4842 0.1378 ( 4862 PWs) bands (ev): -45.2858 -45.2858 -45.2858 -45.2858 -22.9104 -22.9104 -22.8911 -22.8911 -20.8809 -20.8809 -20.8459 -20.8459 -20.7603 -20.7603 -20.7518 -20.7518 -2.6579 -2.6579 -2.6238 -2.6238 -2.4739 -2.4739 -2.4713 -2.4713 4.8894 4.8894 4.9607 4.9607 4.9757 4.9757 5.0648 5.0648 6.1424 6.1424 6.1458 6.1458 6.7452 6.7452 6.7756 6.7756 6.9230 6.9230 7.0401 7.0401 7.9389 7.9389 7.9514 7.9514 9.9142 9.9142 10.0470 10.0470 11.8501 11.8501 11.8584 11.8584 12.6468 12.6468 12.7158 12.7158 k = 0.3817 0.4935 0.1378 ( 4878 PWs) bands (ev): -45.2858 -45.2858 -45.2858 -45.2858 -22.9111 -22.9111 -22.8912 -22.8912 -20.8813 -20.8813 -20.8447 -20.8447 -20.7625 -20.7625 -20.7531 -20.7531 -2.6475 -2.6475 -2.6122 -2.6122 -2.4706 -2.4706 -2.4682 -2.4682 4.9022 4.9022 4.9991 4.9991 5.0001 5.0001 5.0715 5.0715 6.1315 6.1315 6.1360 6.1360 6.6688 6.6688 6.6896 6.6896 6.9086 6.9086 7.0465 7.0465 7.9242 7.9242 7.9336 7.9336 9.9396 9.9396 10.0750 10.0750 11.8148 11.8148 11.8198 11.8198 12.6290 12.6290 12.6952 12.6952 k = 0.3763 0.5029 0.1378 ( 4874 PWs) bands (ev): -45.2856 -45.2856 -45.2856 -45.2856 -22.9116 -22.9116 -22.8913 -22.8913 -20.8816 -20.8816 -20.8435 -20.8435 -20.7645 -20.7645 -20.7542 -20.7542 -2.6375 -2.6375 -2.6009 -2.6009 -2.4677 -2.4677 -2.4656 -2.4656 4.8988 4.8988 5.0110 5.0110 5.0420 5.0420 5.1063 5.1063 6.1152 6.1152 6.1209 6.1209 6.5912 6.5912 6.6115 6.6115 6.9050 6.9050 7.0550 7.0550 7.9094 7.9094 7.9152 7.9152 9.9650 9.9650 10.1030 10.1030 11.7803 11.7803 11.7819 11.7819 12.6120 12.6120 12.6757 12.6757 k = 0.3710 0.5122 0.1378 ( 4884 PWs) bands (ev): -45.2856 -45.2856 -45.2856 -45.2856 -22.9121 -22.9121 -22.8915 -22.8915 -20.8819 -20.8819 -20.8424 -20.8424 -20.7664 -20.7664 -20.7552 -20.7552 -2.6280 -2.6280 -2.5902 -2.5902 -2.4651 -2.4651 -2.4634 -2.4634 4.8902 4.8902 5.0073 5.0073 5.0902 5.0902 5.1584 5.1584 6.0911 6.0911 6.0987 6.0987 6.5210 6.5210 6.5442 6.5442 6.9060 6.9060 7.0648 7.0648 7.8946 7.8946 7.8967 7.8967 9.9898 9.9898 10.1306 10.1306 11.7454 11.7454 11.7472 11.7472 12.5963 12.5963 12.6579 12.6579 k = 0.3656 0.5215 0.1378 ( 4880 PWs) bands (ev): -45.2854 -45.2854 -45.2854 -45.2854 -22.9126 -22.9126 -22.8916 -22.8916 -20.8823 -20.8823 -20.8415 -20.8415 -20.7680 -20.7680 -20.7561 -20.7561 -2.6191 -2.6191 -2.5801 -2.5801 -2.4630 -2.4630 -2.4617 -2.4617 4.8805 4.8805 5.0000 5.0000 5.1402 5.1402 5.2157 5.2157 6.0572 6.0572 6.0682 6.0682 6.4629 6.4629 6.4900 6.4900 6.9093 6.9093 7.0750 7.0750 7.8786 7.8786 7.8803 7.8803 10.0136 10.0136 10.1573 10.1573 11.7109 11.7109 11.7162 11.7162 12.5823 12.5823 12.6423 12.6423 k = 0.3602 0.5308 0.1378 ( 4884 PWs) bands (ev): -45.2854 -45.2854 -45.2854 -45.2854 -22.9130 -22.9130 -22.8917 -22.8917 -20.8826 -20.8826 -20.8407 -20.8407 -20.7695 -20.7695 -20.7568 -20.7568 -2.6112 -2.6112 -2.5710 -2.5710 -2.4612 -2.4612 -2.4605 -2.4605 4.8711 4.8711 4.9921 4.9921 5.1898 5.1898 5.2749 5.2749 6.0126 6.0126 6.0301 6.0301 6.4193 6.4193 6.4497 6.4497 6.9135 6.9135 7.0851 7.0851 7.8615 7.8615 7.8670 7.8670 10.0357 10.0357 10.1821 10.1821 11.6794 11.6794 11.6879 11.6879 12.5705 12.5705 12.6289 12.6289 k = 0.3548 0.5401 0.1378 ( 4888 PWs) bands (ev): -45.2853 -45.2853 -45.2853 -45.2853 -22.9133 -22.9133 -22.8918 -22.8918 -20.8829 -20.8829 -20.8400 -20.8400 -20.7707 -20.7707 -20.7574 -20.7574 -2.6042 -2.6042 -2.5629 -2.5629 -2.4598 -2.4598 -2.4597 -2.4597 4.8626 4.8626 4.9848 4.9848 5.2371 5.2371 5.3342 5.3342 5.9595 5.9595 5.9870 5.9870 6.3893 6.3893 6.4219 6.4219 6.9180 6.9180 7.0946 7.0946 7.8459 7.8459 7.8551 7.8551 10.0553 10.0553 10.2044 10.2044 11.6517 11.6517 11.6632 11.6632 12.5609 12.5609 12.6182 12.6182 k = 0.3495 0.5494 0.1378 ( 4888 PWs) bands (ev): -45.2853 -45.2853 -45.2852 -45.2852 -22.9136 -22.9136 -22.8919 -22.8919 -20.8831 -20.8831 -20.8395 -20.8395 -20.7716 -20.7716 -20.7578 -20.7578 -2.5984 -2.5984 -2.5561 -2.5561 -2.4592 -2.4592 -2.4588 -2.4588 4.8556 4.8556 4.9786 4.9786 5.2797 5.2797 5.3918 5.3918 5.9024 5.9024 5.9439 5.9439 6.3702 6.3702 6.4040 6.4040 6.9222 6.9222 7.1029 7.1029 7.8327 7.8327 7.8451 7.8451 10.0718 10.0718 10.2232 10.2232 11.6288 11.6288 11.6429 11.6429 12.5536 12.5536 12.6100 12.6100 k = 0.3441 0.5587 0.1378 ( 4882 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9138 -22.9138 -22.8920 -22.8920 -20.8833 -20.8833 -20.8392 -20.8392 -20.7723 -20.7723 -20.7582 -20.7582 -2.5941 -2.5941 -2.5509 -2.5509 -2.4591 -2.4591 -2.4581 -2.4581 4.8503 4.8503 4.9738 4.9738 5.3146 5.3146 5.4442 5.4442 5.8478 5.8478 5.9065 5.9065 6.3592 6.3592 6.3935 6.3935 6.9255 6.9255 7.1093 7.1093 7.8226 7.8226 7.8374 7.8374 10.0844 10.0844 10.2377 10.2377 11.6115 11.6115 11.6277 11.6277 12.5486 12.5486 12.6043 12.6043 k = 0.3387 0.5680 0.1378 ( 4882 PWs) bands (ev): -45.2851 -45.2851 -45.2851 -45.2851 -22.9139 -22.9139 -22.8920 -22.8920 -20.8834 -20.8834 -20.8390 -20.8390 -20.7727 -20.7727 -20.7583 -20.7583 -2.5913 -2.5913 -2.5476 -2.5476 -2.4591 -2.4591 -2.4577 -2.4577 4.8470 4.8470 4.9708 4.9708 5.3379 5.3379 5.4844 5.4844 5.8052 5.8052 5.8808 5.8808 6.3536 6.3536 6.3882 6.3882 6.9277 6.9277 7.1134 7.1134 7.8161 7.8161 7.8326 7.8326 10.0924 10.0924 10.2468 10.2468 11.6008 11.6008 11.6182 11.6182 12.5457 12.5457 12.6011 12.6011 k = 0.3333 0.5774 0.1378 ( 4896 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9140 -22.9140 -22.8920 -22.8920 -20.8835 -20.8835 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8459 4.8459 4.9698 4.9698 5.3461 5.3461 5.5004 5.5004 5.7882 5.7882 5.8716 5.8716 6.3520 6.3520 6.3867 6.3867 6.9284 6.9284 7.1148 7.1148 7.8138 7.8138 7.8309 7.8309 10.0951 10.0951 10.2499 10.2499 11.5971 11.5971 11.6150 11.6150 12.5448 12.5448 12.6000 12.6000 k = 0.3333 0.5774 0.1378 ( 4896 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9140 -22.9140 -22.8920 -22.8920 -20.8835 -20.8835 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8459 4.8459 4.9698 4.9698 5.3461 5.3461 5.5004 5.5004 5.7882 5.7882 5.8716 5.8716 6.3520 6.3520 6.3867 6.3867 6.9284 6.9284 7.1148 7.1148 7.8138 7.8138 7.8309 7.8309 10.0951 10.0951 10.2499 10.2499 11.5971 11.5971 11.6150 11.6150 12.5448 12.5448 12.6000 12.6000 k = 0.3279 0.5679 0.1378 ( 4888 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9139 -22.9139 -22.8920 -22.8920 -20.8834 -20.8834 -20.8390 -20.8390 -20.7727 -20.7727 -20.7584 -20.7584 -2.5914 -2.5914 -2.5477 -2.5477 -2.4591 -2.4591 -2.4577 -2.4577 4.8471 4.8471 4.9709 4.9709 5.3379 5.3379 5.4844 5.4844 5.8055 5.8055 5.8810 5.8810 6.3534 6.3534 6.3881 6.3881 6.9276 6.9276 7.1133 7.1133 7.8162 7.8162 7.8327 7.8327 10.0922 10.0922 10.2466 10.2466 11.6009 11.6009 11.6184 11.6184 12.5457 12.5457 12.6010 12.6010 k = 0.3224 0.5584 0.1378 ( 4884 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9138 -22.9138 -22.8919 -22.8919 -20.8832 -20.8832 -20.8391 -20.8391 -20.7723 -20.7723 -20.7582 -20.7582 -2.5946 -2.5946 -2.5516 -2.5516 -2.4590 -2.4590 -2.4581 -2.4581 4.8509 4.8509 4.9744 4.9744 5.3160 5.3160 5.4456 5.4456 5.8486 5.8486 5.9071 5.9071 6.3573 6.3573 6.3919 6.3919 6.9252 6.9252 7.1088 7.1088 7.8236 7.8236 7.8382 7.8382 10.0833 10.0833 10.2364 10.2364 11.6124 11.6124 11.6285 11.6285 12.5479 12.5479 12.6037 12.6037 k = 0.3169 0.5490 0.1378 ( 4888 PWs) bands (ev): -45.2853 -45.2853 -45.2853 -45.2853 -22.9136 -22.9136 -22.8918 -22.8918 -20.8829 -20.8829 -20.8393 -20.8393 -20.7717 -20.7717 -20.7579 -20.7579 -2.6000 -2.6000 -2.5580 -2.5580 -2.4590 -2.4590 -2.4588 -2.4588 4.8574 4.8574 4.9804 4.9804 5.2848 5.2848 5.3973 5.3973 5.9042 5.9042 5.9454 5.9454 6.3635 6.3635 6.3980 6.3980 6.9212 6.9212 7.1015 7.1015 7.8359 7.8359 7.8476 7.8476 10.0686 10.0686 10.2197 10.2197 11.6310 11.6310 11.6450 11.6450 12.5511 12.5511 12.6077 12.6077 k = 0.3115 0.5395 0.1378 ( 4880 PWs) bands (ev): -45.2853 -45.2853 -45.2853 -45.2853 -22.9132 -22.9132 -22.8917 -22.8917 -20.8825 -20.8825 -20.8396 -20.8396 -20.7709 -20.7709 -20.7575 -20.7575 -2.6078 -2.6078 -2.5669 -2.5669 -2.4598 -2.4598 -2.4592 -2.4592 4.8666 4.8666 4.9888 4.9888 5.2488 5.2488 5.3468 5.3468 5.9647 5.9647 5.9908 5.9908 6.3723 6.3723 6.4068 6.4068 6.9160 6.9160 7.0918 7.0918 7.8529 7.8529 7.8607 7.8607 10.0483 10.0483 10.1968 10.1968 11.6560 11.6560 11.6673 11.6673 12.5550 12.5550 12.6126 12.6126 k = 0.3060 0.5300 0.1378 ( 4880 PWs) bands (ev): -45.2854 -45.2854 -45.2854 -45.2854 -22.9128 -22.9128 -22.8915 -22.8915 -20.8819 -20.8819 -20.8398 -20.8398 -20.7699 -20.7699 -20.7570 -20.7570 -2.6179 -2.6179 -2.5783 -2.5783 -2.4613 -2.4613 -2.4599 -2.4599 4.8786 4.8786 4.9997 4.9997 5.2115 5.2115 5.2979 5.2979 6.0255 6.0255 6.0394 6.0394 6.3846 6.3846 6.4191 6.4191 6.9099 6.9099 7.0804 7.0804 7.8741 7.8741 7.8774 7.8774 10.0231 10.0231 10.1686 10.1686 11.6863 11.6863 11.6946 11.6946 12.5589 12.5589 12.6180 12.6180 k = 0.3005 0.5206 0.1378 ( 4880 PWs) bands (ev): -45.2855 -45.2855 -45.2855 -45.2855 -22.9122 -22.9122 -22.8912 -22.8912 -20.8812 -20.8812 -20.8400 -20.8400 -20.7687 -20.7687 -20.7565 -20.7565 -2.6302 -2.6302 -2.5920 -2.5920 -2.4633 -2.4633 -2.4612 -2.4612 4.8933 4.8933 5.0126 5.0126 5.1751 5.1751 5.2524 5.2524 6.0832 6.0832 6.0872 6.0872 6.4019 6.4019 6.4361 6.4361 6.9034 6.9034 7.0678 7.0678 7.8974 7.8974 7.8992 7.8992 9.9935 9.9935 10.1358 10.1358 11.7207 11.7207 11.7259 11.7259 12.5625 12.5625 12.6233 12.6233 k = 0.2951 0.5111 0.1378 ( 4880 PWs) bands (ev): -45.2857 -45.2857 -45.2857 -45.2857 -22.9116 -22.9116 -22.8908 -22.8908 -20.8802 -20.8802 -20.8402 -20.8402 -20.7675 -20.7675 -20.7558 -20.7558 -2.6448 -2.6448 -2.6080 -2.6080 -2.4660 -2.4660 -2.4633 -2.4633 4.9104 4.9104 5.0269 5.0269 5.1414 5.1414 5.2122 5.2122 6.1309 6.1309 6.1342 6.1342 6.4266 6.4266 6.4598 6.4598 6.8971 6.8971 7.0548 7.0548 7.9205 7.9205 7.9276 7.9276 9.9603 9.9603 10.0994 10.0994 11.7577 11.7577 11.7600 11.7600 12.5653 12.5653 12.6280 12.6280 k = 0.2896 0.5016 0.1378 ( 4870 PWs) bands (ev): -45.2858 -45.2858 -45.2858 -45.2858 -22.9108 -22.9108 -22.8904 -22.8904 -20.8791 -20.8791 -20.8402 -20.8402 -20.7661 -20.7661 -20.7551 -20.7551 -2.6615 -2.6615 -2.6261 -2.6261 -2.4695 -2.4695 -2.4663 -2.4663 4.9295 4.9295 5.0406 5.0406 5.1118 5.1118 5.1797 5.1797 6.1674 6.1674 6.1754 6.1754 6.4608 6.4608 6.4919 6.4919 6.8918 6.8918 7.0420 7.0420 7.9463 7.9463 7.9588 7.9588 9.9242 9.9242 10.0602 10.0602 11.7958 11.7958 11.7960 11.7960 12.5669 12.5669 12.6316 12.6316 k = 0.2842 0.4922 0.1378 ( 4874 PWs) bands (ev): -45.2861 -45.2861 -45.2861 -45.2861 -22.9099 -22.9099 -22.8899 -22.8899 -20.8778 -20.8778 -20.8401 -20.8401 -20.7646 -20.7646 -20.7544 -20.7544 -2.6804 -2.6804 -2.6462 -2.6462 -2.4739 -2.4739 -2.4703 -2.4703 4.9492 4.9492 5.0492 5.0492 5.0884 5.0884 5.1597 5.1597 6.1950 6.1950 6.2053 6.2053 6.5050 6.5050 6.5332 6.5332 6.8882 6.8882 7.0301 7.0301 7.9745 7.9745 7.9923 7.9923 9.8859 9.8859 10.0190 10.0190 11.8321 11.8321 11.8342 11.8342 12.5670 12.5670 12.6336 12.6336 k = 0.2787 0.4827 0.1378 ( 4864 PWs) bands (ev): -45.2862 -45.2862 -45.2862 -45.2862 -22.9089 -22.9089 -22.8893 -22.8893 -20.8763 -20.8763 -20.8399 -20.8399 -20.7630 -20.7630 -20.7536 -20.7536 -2.7014 -2.7014 -2.6685 -2.6685 -2.4791 -2.4791 -2.4753 -2.4753 4.9666 4.9666 5.0469 5.0469 5.0743 5.0743 5.1583 5.1583 6.2136 6.2136 6.2248 6.2248 6.5571 6.5571 6.5832 6.5832 6.8877 6.8877 7.0198 7.0198 8.0049 8.0049 8.0278 8.0278 9.8461 9.8461 9.9765 9.9765 11.8676 11.8676 11.8707 11.8707 12.5653 12.5653 12.6336 12.6336 k = 0.2732 0.4732 0.1378 ( 4860 PWs) bands (ev): -45.2865 -45.2865 -45.2865 -45.2865 -22.9078 -22.9078 -22.8887 -22.8887 -20.8745 -20.8745 -20.8396 -20.8396 -20.7614 -20.7614 -20.7527 -20.7527 -2.7244 -2.7244 -2.6927 -2.6927 -2.4853 -2.4853 -2.4814 -2.4814 4.9765 4.9765 5.0350 5.0350 5.0750 5.0750 5.1741 5.1741 6.2245 6.2245 6.2363 6.2363 6.6130 6.6130 6.6396 6.6396 6.8921 6.8921 7.0118 7.0118 8.0369 8.0369 8.0649 8.0649 9.8055 9.8055 9.9334 9.9334 11.9011 11.9011 11.9044 11.9044 12.5620 12.5620 12.6313 12.6313 k = 0.2678 0.4638 0.1378 ( 4868 PWs) bands (ev): -45.2868 -45.2868 -45.2868 -45.2868 -22.9065 -22.9065 -22.8880 -22.8880 -20.8726 -20.8726 -20.8391 -20.8391 -20.7598 -20.7598 -20.7518 -20.7518 -2.7493 -2.7493 -2.7188 -2.7188 -2.4926 -2.4926 -2.4886 -2.4886 4.9771 4.9771 5.0202 5.0202 5.0923 5.0923 5.2003 5.2003 6.2294 6.2294 6.2421 6.2421 6.6674 6.6674 6.6999 6.6999 6.9044 6.9044 7.0070 7.0070 8.0705 8.0705 8.1032 8.1032 9.7646 9.7646 9.8903 9.8903 11.9315 11.9315 11.9337 11.9337 12.5570 12.5570 12.6265 12.6265 k = 0.2623 0.4543 0.1378 ( 4864 PWs) bands (ev): -45.2871 -45.2871 -45.2871 -45.2871 -22.9052 -22.9052 -22.8871 -22.8871 -20.8704 -20.8704 -20.8384 -20.8384 -20.7581 -20.7581 -20.7509 -20.7509 -2.7761 -2.7761 -2.7468 -2.7468 -2.5009 -2.5009 -2.4969 -2.4969 4.9733 4.9733 5.0068 5.0068 5.1212 5.1212 5.2325 5.2325 6.2299 6.2299 6.2441 6.2441 6.7145 6.7145 6.7611 6.7611 6.9287 6.9287 7.0070 7.0070 8.1052 8.1052 8.1425 8.1425 9.7239 9.7239 9.8476 9.8476 11.9577 11.9577 11.9577 11.9577 12.5508 12.5508 12.6193 12.6193 k = 0.2568 0.4448 0.1378 ( 4844 PWs) bands (ev): -45.2874 -45.2874 -45.2874 -45.2874 -22.9037 -22.9037 -22.8862 -22.8862 -20.8680 -20.8680 -20.8375 -20.8375 -20.7564 -20.7564 -20.7500 -20.7500 -2.8048 -2.8048 -2.7766 -2.7766 -2.5101 -2.5101 -2.5063 -2.5063 4.9699 4.9699 4.9965 4.9965 5.1568 5.1568 5.2686 5.2686 6.2273 6.2273 6.2437 6.2437 6.7497 6.7497 6.8192 6.8192 6.9686 6.9686 7.0145 7.0145 8.1410 8.1410 8.1825 8.1825 9.6838 9.6838 9.8057 9.8057 11.9754 11.9754 11.9790 11.9790 12.5437 12.5437 12.6098 12.6098 k = 0.2514 0.4354 0.1378 ( 4844 PWs) bands (ev): -45.2878 -45.2878 -45.2877 -45.2877 -22.9021 -22.9021 -22.8852 -22.8852 -20.8654 -20.8654 -20.8364 -20.8364 -20.7547 -20.7547 -20.7490 -20.7490 -2.8352 -2.8352 -2.8082 -2.8082 -2.5204 -2.5204 -2.5168 -2.5168 4.9689 4.9689 4.9897 4.9897 5.1967 5.1967 5.3077 5.3077 6.2227 6.2227 6.2420 6.2420 6.7736 6.7736 6.8682 6.8682 7.0226 7.0226 7.0346 7.0346 8.1774 8.1774 8.2230 8.2230 9.6447 9.6447 9.7650 9.7650 11.9864 11.9864 11.9945 11.9945 12.5359 12.5359 12.5982 12.5982 k = 0.2459 0.4259 0.1378 ( 4844 PWs) bands (ev): -45.2882 -45.2882 -45.2882 -45.2882 -22.9004 -22.9004 -22.8841 -22.8841 -20.8626 -20.8626 -20.8351 -20.8351 -20.7530 -20.7530 -20.7481 -20.7481 -2.8672 -2.8672 -2.8414 -2.8414 -2.5317 -2.5317 -2.5282 -2.5282 4.9710 4.9710 4.9868 4.9868 5.2397 5.2397 5.3489 5.3489 6.2169 6.2169 6.2398 6.2398 6.7902 6.7902 6.9025 6.9025 7.0724 7.0724 7.0862 7.0862 8.2144 8.2144 8.2638 8.2638 9.6069 9.6069 9.7258 9.7258 11.9904 11.9904 12.0040 12.0040 12.5274 12.5274 12.5848 12.5848 k = 0.2404 0.4164 0.1378 ( 4852 PWs) bands (ev): -45.2887 -45.2887 -45.2887 -45.2887 -22.8987 -22.8987 -22.8829 -22.8829 -20.8595 -20.8595 -20.8336 -20.8336 -20.7513 -20.7513 -20.7471 -20.7471 -2.9008 -2.9008 -2.8761 -2.8761 -2.5440 -2.5440 -2.5407 -2.5407 4.9765 4.9765 4.9877 4.9877 5.2849 5.2849 5.3917 5.3917 6.2109 6.2109 6.2383 6.2383 6.8031 6.8031 6.9234 6.9234 7.1257 7.1257 7.1551 7.1551 8.2517 8.2517 8.3048 8.3048 9.5707 9.5707 9.6882 9.6882 11.9881 11.9881 12.0075 12.0075 12.5180 12.5180 12.5697 12.5697 k = 0.2350 0.4070 0.1378 ( 4856 PWs) bands (ev): -45.2892 -45.2892 -45.2892 -45.2892 -22.8968 -22.8968 -22.8817 -22.8817 -20.8563 -20.8563 -20.8319 -20.8319 -20.7497 -20.7497 -20.7461 -20.7461 -2.9359 -2.9359 -2.9124 -2.9124 -2.5572 -2.5572 -2.5541 -2.5541 4.9853 4.9853 4.9921 4.9921 5.3318 5.3318 5.4353 5.4353 6.2057 6.2057 6.2383 6.2383 6.8146 6.8146 6.9372 6.9372 7.1881 7.1881 7.2266 7.2266 8.2891 8.2891 8.3458 8.3458 9.5364 9.5364 9.6524 9.6524 11.9804 11.9804 12.0054 12.0054 12.5073 12.5073 12.5530 12.5530 k = 0.2295 0.3975 0.1378 ( 4850 PWs) bands (ev): -45.2896 -45.2896 -45.2896 -45.2896 -22.8948 -22.8948 -22.8803 -22.8803 -20.8528 -20.8528 -20.8300 -20.8300 -20.7480 -20.7480 -20.7451 -20.7451 -2.9724 -2.9724 -2.9500 -2.9500 -2.5712 -2.5712 -2.5684 -2.5684 4.9971 4.9971 4.9997 4.9997 5.3794 5.3794 5.4790 5.4790 6.2022 6.2022 6.2410 6.2410 6.8261 6.8261 6.9481 6.9481 7.2544 7.2544 7.2991 7.2991 8.3266 8.3266 8.3866 8.3866 9.5041 9.5041 9.6187 9.6187 11.9683 11.9683 11.9983 11.9983 12.4946 12.4946 12.5347 12.5347 k = 0.2240 0.3881 0.1378 ( 4842 PWs) bands (ev): -45.2901 -45.2901 -45.2901 -45.2901 -22.8927 -22.8927 -22.8788 -22.8788 -20.8491 -20.8491 -20.8278 -20.8278 -20.7463 -20.7463 -20.7441 -20.7441 -3.0101 -3.0101 -2.9889 -2.9889 -2.5861 -2.5861 -2.5835 -2.5835 5.0101 5.0101 5.0116 5.0116 5.4272 5.4272 5.5218 5.5218 6.2016 6.2016 6.2477 6.2477 6.8381 6.8381 6.9586 6.9586 7.3222 7.3222 7.3714 7.3714 8.3639 8.3639 8.4272 8.4272 9.4740 9.4740 9.5872 9.5872 11.9534 11.9534 11.9874 11.9874 12.4795 12.4795 12.5146 12.5146 k = 0.2186 0.3786 0.1378 ( 4838 PWs) bands (ev): -45.2906 -45.2906 -45.2906 -45.2906 -22.8905 -22.8905 -22.8773 -22.8773 -20.8453 -20.8453 -20.8255 -20.8255 -20.7446 -20.7446 -20.7431 -20.7431 -3.0490 -3.0490 -3.0289 -3.0289 -2.6017 -2.6017 -2.5994 -2.5994 5.0228 5.0228 5.0281 5.0281 5.4742 5.4742 5.5630 5.5630 6.2053 6.2053 6.2596 6.2596 6.8512 6.8512 6.9696 6.9696 7.3899 7.3899 7.4430 7.4430 8.4008 8.4008 8.4673 8.4673 9.4464 9.4464 9.5579 9.5579 11.9368 11.9368 11.9736 11.9736 12.4615 12.4615 12.4926 12.4926 k = 0.2131 0.3691 0.1378 ( 4840 PWs) bands (ev): -45.2912 -45.2912 -45.2912 -45.2912 -22.8882 -22.8882 -22.8757 -22.8757 -20.8412 -20.8412 -20.8230 -20.8230 -20.7430 -20.7430 -20.7421 -20.7421 -3.0889 -3.0889 -3.0699 -3.0699 -2.6181 -2.6181 -2.6159 -2.6159 5.0372 5.0372 5.0461 5.0461 5.5198 5.5198 5.6018 5.6018 6.2146 6.2146 6.2778 6.2778 6.8657 6.8657 6.9817 6.9817 7.4567 7.4567 7.5130 7.5130 8.4372 8.4372 8.5069 8.5069 9.4216 9.4216 9.5312 9.5312 11.9199 11.9199 11.9583 11.9583 12.4406 12.4406 12.4689 12.4689 k = 0.2077 0.3597 0.1378 ( 4840 PWs) bands (ev): -45.2918 -45.2918 -45.2918 -45.2918 -22.8858 -22.8858 -22.8740 -22.8740 -20.8370 -20.8370 -20.8203 -20.8203 -20.7413 -20.7413 -20.7410 -20.7410 -3.1297 -3.1297 -3.1119 -3.1119 -2.6350 -2.6350 -2.6331 -2.6331 5.0524 5.0524 5.0646 5.0646 5.5631 5.5631 5.6377 5.6377 6.2308 6.2308 6.3034 6.3034 6.8816 6.8816 6.9952 6.9952 7.5219 7.5219 7.5810 7.5810 8.4728 8.4728 8.5457 8.5457 9.3996 9.3996 9.5070 9.5070 11.9038 11.9038 11.9425 11.9425 12.4170 12.4170 12.4434 12.4434 k = 0.2022 0.3502 0.1378 ( 4848 PWs) bands (ev): -45.2925 -45.2925 -45.2925 -45.2925 -22.8834 -22.8834 -22.8722 -22.8722 -20.8327 -20.8327 -20.8174 -20.8174 -20.7400 -20.7400 -20.7397 -20.7397 -3.1714 -3.1714 -3.1546 -3.1546 -2.6526 -2.6526 -2.6509 -2.6509 5.0674 5.0674 5.0826 5.0826 5.6040 5.6040 5.6709 5.6709 6.2551 6.2551 6.3371 6.3371 6.8995 6.8995 7.0102 7.0102 7.5850 7.5850 7.6465 7.6465 8.5073 8.5073 8.5835 8.5835 9.3810 9.3810 9.4857 9.4857 11.8893 11.8893 11.9272 11.9272 12.3912 12.3912 12.4167 12.4167 k = 0.1967 0.3407 0.1378 ( 4838 PWs) bands (ev): -45.2930 -45.2930 -45.2930 -45.2930 -22.8809 -22.8809 -22.8704 -22.8704 -20.8282 -20.8282 -20.8144 -20.8144 -20.7389 -20.7389 -20.7381 -20.7381 -3.2137 -3.2137 -3.1980 -3.1980 -2.6706 -2.6706 -2.6691 -2.6691 5.0814 5.0814 5.0990 5.0990 5.6426 5.6426 5.7020 5.7020 6.2881 6.2881 6.3787 6.3787 6.9193 6.9193 7.0271 7.0271 7.6454 7.6454 7.7089 7.7089 8.5405 8.5405 8.6200 8.6200 9.3661 9.3661 9.4677 9.4677 11.8771 11.8771 11.9133 11.9133 12.3638 12.3638 12.3891 12.3891 k = 0.1913 0.3313 0.1378 ( 4838 PWs) bands (ev): -45.2937 -45.2937 -45.2937 -45.2937 -22.8784 -22.8784 -22.8685 -22.8685 -20.8236 -20.8236 -20.8112 -20.8112 -20.7378 -20.7378 -20.7364 -20.7364 -3.2566 -3.2566 -3.2419 -3.2419 -2.6891 -2.6891 -2.6878 -2.6878 5.0931 5.0931 5.1126 5.1126 5.6799 5.6799 5.7321 5.7321 6.3298 6.3298 6.4279 6.4279 6.9415 6.9415 7.0460 7.0460 7.7026 7.7026 7.7677 7.7677 8.5718 8.5718 8.6550 8.6550 9.3554 9.3554 9.4533 9.4533 11.8679 11.8679 11.9014 11.9014 12.3355 12.3355 12.3612 12.3612 k = 0.1858 0.3218 0.1378 ( 4838 PWs) bands (ev): -45.2943 -45.2943 -45.2943 -45.2943 -22.8758 -22.8758 -22.8666 -22.8666 -20.8189 -20.8189 -20.8079 -20.8079 -20.7367 -20.7367 -20.7348 -20.7348 -3.2998 -3.2998 -3.2862 -3.2862 -2.7080 -2.7080 -2.7068 -2.7068 5.1015 5.1015 5.1222 5.1222 5.7172 5.7172 5.7628 5.7628 6.3798 6.3798 6.4837 6.4837 6.9664 6.9664 7.0669 7.0669 7.7562 7.7562 7.8225 7.8225 8.6010 8.6010 8.6880 8.6880 9.3495 9.3495 9.4431 9.4431 11.8619 11.8619 11.8921 11.8921 12.3071 12.3071 12.3336 12.3336 k = 0.1803 0.3123 0.1378 ( 4838 PWs) bands (ev): -45.2950 -45.2950 -45.2950 -45.2950 -22.8732 -22.8732 -22.8645 -22.8645 -20.8142 -20.8142 -20.8045 -20.8045 -20.7355 -20.7355 -20.7331 -20.7331 -3.3434 -3.3434 -3.3308 -3.3308 -2.7271 -2.7271 -2.7261 -2.7261 5.1056 5.1056 5.1268 5.1268 5.7560 5.7560 5.7955 5.7955 6.4371 6.4371 6.5449 6.5449 6.9943 6.9943 7.0903 7.0903 7.8057 7.8057 7.8727 7.8727 8.6276 8.6276 8.7187 8.7187 9.3490 9.3490 9.4376 9.4376 11.8595 11.8595 11.8857 11.8857 12.2791 12.2791 12.3068 12.3068 k = 0.1749 0.3029 0.1378 ( 4830 PWs) bands (ev): -45.2957 -45.2957 -45.2957 -45.2957 -22.8705 -22.8705 -22.8625 -22.8625 -20.8094 -20.8094 -20.8010 -20.8010 -20.7343 -20.7343 -20.7314 -20.7314 -3.3871 -3.3871 -3.3755 -3.3755 -2.7464 -2.7464 -2.7455 -2.7455 5.1049 5.1049 5.1258 5.1258 5.7977 5.7977 5.8316 5.8316 6.5005 6.5005 6.6101 6.6101 7.0258 7.0258 7.1161 7.1161 7.8506 7.8506 7.9177 7.9177 8.6513 8.6513 8.7468 8.7468 9.3546 9.3546 9.4375 9.4375 11.8607 11.8607 11.8826 11.8826 12.2525 12.2525 12.2815 12.2815 k = 0.1694 0.2934 0.1378 ( 4826 PWs) bands (ev): -45.2963 -45.2963 -45.2963 -45.2963 -22.8678 -22.8678 -22.8604 -22.8604 -20.8046 -20.8046 -20.7975 -20.7975 -20.7329 -20.7329 -20.7296 -20.7296 -3.4309 -3.4309 -3.4202 -3.4202 -2.7659 -2.7659 -2.7652 -2.7652 5.0991 5.0991 5.1191 5.1191 5.8433 5.8433 5.8720 5.8720 6.5687 6.5687 6.6779 6.6779 7.0616 7.0616 7.1447 7.1447 7.8905 7.8905 7.9573 7.9573 8.6717 8.6717 8.7718 8.7718 9.3667 9.3667 9.4433 9.4433 11.8655 11.8655 11.8827 11.8827 12.2278 12.2278 12.2581 12.2581 k = 0.1639 0.2839 0.1378 ( 4830 PWs) bands (ev): -45.2971 -45.2971 -45.2971 -45.2971 -22.8651 -22.8651 -22.8583 -22.8583 -20.7998 -20.7998 -20.7939 -20.7939 -20.7315 -20.7315 -20.7278 -20.7278 -3.4746 -3.4746 -3.4648 -3.4648 -2.7855 -2.7855 -2.7849 -2.7849 5.0880 5.0880 5.1067 5.1067 5.8933 5.8933 5.9173 5.9173 6.6405 6.6405 6.7466 6.7466 7.1024 7.1024 7.1764 7.1764 7.9250 7.9250 7.9908 7.9908 8.6890 8.6890 8.7936 8.7936 9.3856 9.3856 9.4554 9.4554 11.8735 11.8735 11.8860 11.8860 12.2059 12.2059 12.2374 12.2374 k = 0.1585 0.2745 0.1378 ( 4838 PWs) bands (ev): -45.2978 -45.2978 -45.2978 -45.2978 -22.8624 -22.8624 -22.8561 -22.8561 -20.7951 -20.7951 -20.7904 -20.7904 -20.7300 -20.7300 -20.7259 -20.7259 -3.5181 -3.5181 -3.5092 -3.5092 -2.8051 -2.8051 -2.8046 -2.8046 5.0721 5.0721 5.0893 5.0893 5.9479 5.9479 5.9675 5.9675 6.7147 6.7147 6.8146 6.8146 7.1491 7.1491 7.2115 7.2115 7.9537 7.9537 8.0182 8.0182 8.7032 8.7032 8.8121 8.8121 9.4111 9.4111 9.4741 9.4741 11.8845 11.8845 11.8924 11.8924 12.1874 12.1874 12.2197 12.2197 k = 0.1530 0.2650 0.1378 ( 4842 PWs) bands (ev): -45.2986 -45.2986 -45.2986 -45.2986 -22.8597 -22.8597 -22.8540 -22.8540 -20.7905 -20.7905 -20.7868 -20.7868 -20.7283 -20.7283 -20.7239 -20.7239 -3.5613 -3.5613 -3.5532 -3.5532 -2.8247 -2.8247 -2.8242 -2.8242 5.0518 5.0518 5.0673 5.0673 6.0068 6.0068 6.0224 6.0224 6.7901 6.7901 6.8806 6.8806 7.2025 7.2025 7.2503 7.2503 7.9766 7.9766 8.0391 8.0391 8.7146 8.7146 8.8276 8.8276 9.4432 9.4432 9.4993 9.4993 11.8979 11.8979 11.9015 11.9015 12.1731 12.1731 12.2056 12.2056 k = 0.1475 0.2555 0.1378 ( 4834 PWs) bands (ev): -45.2993 -45.2993 -45.2993 -45.2993 -22.8570 -22.8570 -22.8518 -22.8518 -20.7861 -20.7861 -20.7834 -20.7834 -20.7265 -20.7265 -20.7218 -20.7218 -3.6041 -3.6041 -3.5967 -3.5967 -2.8442 -2.8442 -2.8438 -2.8438 5.0278 5.0278 5.0416 5.0416 6.0698 6.0698 6.0818 6.0818 6.8655 6.8655 6.9434 6.9434 7.2630 7.2630 7.2933 7.2933 7.9935 7.9935 8.0536 8.0536 8.7239 8.7239 8.8404 8.8404 9.4811 9.4811 9.5306 9.5306 11.9130 11.9130 11.9132 11.9132 12.1638 12.1638 12.1957 12.1957 k = 0.1421 0.2461 0.1378 ( 4832 PWs) bands (ev): -45.3000 -45.3000 -45.3000 -45.3000 -22.8544 -22.8544 -22.8496 -22.8496 -20.7819 -20.7819 -20.7800 -20.7800 -20.7244 -20.7244 -20.7196 -20.7196 -3.6463 -3.6463 -3.6396 -3.6396 -2.8634 -2.8634 -2.8631 -2.8631 5.0006 5.0006 5.0128 5.0128 6.1363 6.1363 6.1452 6.1452 6.9400 6.9400 7.0027 7.0027 7.3305 7.3305 7.3409 7.3409 8.0045 8.0045 8.0619 8.0619 8.7314 8.7314 8.8509 8.8509 9.5243 9.5243 9.5676 9.5676 11.9268 11.9268 11.9290 11.9290 12.1604 12.1604 12.1903 12.1903 k = 0.1366 0.2366 0.1378 ( 4832 PWs) bands (ev): -45.3007 -45.3007 -45.3007 -45.3007 -22.8517 -22.8517 -22.8474 -22.8474 -20.7779 -20.7779 -20.7768 -20.7768 -20.7222 -20.7222 -20.7172 -20.7172 -3.6878 -3.6878 -3.6818 -3.6818 -2.8825 -2.8825 -2.8822 -2.8822 4.9708 4.9708 4.9815 4.9815 6.2060 6.2060 6.2120 6.2120 7.0125 7.0125 7.0587 7.0587 7.3934 7.3934 7.4041 7.4041 8.0100 8.0100 8.0643 8.0643 8.7376 8.7376 8.8594 8.8594 9.5720 9.5720 9.6095 9.6095 11.9421 11.9421 11.9452 11.9452 12.1634 12.1634 12.1898 12.1898 k = 0.1311 0.2272 0.1378 ( 4836 PWs) bands (ev): -45.3014 -45.3014 -45.3014 -45.3014 -22.8491 -22.8491 -22.8453 -22.8453 -20.7742 -20.7742 -20.7737 -20.7737 -20.7197 -20.7197 -20.7147 -20.7147 -3.7286 -3.7286 -3.7232 -3.7232 -2.9013 -2.9013 -2.9010 -2.9010 4.9390 4.9390 4.9483 4.9483 6.2784 6.2784 6.2818 6.2818 7.0824 7.0824 7.1122 7.1122 7.4510 7.4510 7.4824 7.4824 8.0103 8.0103 8.0614 8.0614 8.7427 8.7427 8.8664 8.8664 9.6234 9.6234 9.6557 9.6557 11.9588 11.9588 11.9612 11.9612 12.1731 12.1731 12.1943 12.1943 k = 0.1257 0.2177 0.1378 ( 4852 PWs) bands (ev): -45.3022 -45.3022 -45.3022 -45.3022 -22.8466 -22.8466 -22.8431 -22.8431 -20.7708 -20.7708 -20.7708 -20.7708 -20.7169 -20.7169 -20.7120 -20.7120 -3.7685 -3.7685 -3.7637 -3.7637 -2.9197 -2.9197 -2.9195 -2.9195 4.9058 4.9058 4.9138 4.9138 6.3529 6.3529 6.3542 6.3542 7.1492 7.1492 7.1639 7.1639 7.5133 7.5133 7.5641 7.5641 8.0059 8.0059 8.0537 8.0537 8.7470 8.7470 8.8720 8.8720 9.6778 9.6778 9.7054 9.7054 11.9767 11.9767 11.9769 11.9769 12.1895 12.1895 12.2037 12.2037 k = 0.1202 0.2082 0.1378 ( 4846 PWs) bands (ev): -45.3029 -45.3029 -45.3029 -45.3029 -22.8440 -22.8440 -22.8410 -22.8410 -20.7681 -20.7681 -20.7677 -20.7677 -20.7139 -20.7139 -20.7092 -20.7092 -3.8074 -3.8074 -3.8032 -3.8032 -2.9377 -2.9377 -2.9375 -2.9375 4.8715 4.8715 4.8784 4.8784 6.4286 6.4286 6.4292 6.4292 7.2128 7.2128 7.2147 7.2147 7.5800 7.5800 7.6478 7.6478 7.9975 7.9975 8.0420 8.0420 8.7504 8.7504 8.8764 8.8764 9.7345 9.7345 9.7580 9.7580 11.9930 11.9930 11.9958 11.9958 12.2117 12.2117 12.2177 12.2177 k = 0.1148 0.1988 0.1378 ( 4850 PWs) bands (ev): -45.3036 -45.3036 -45.3036 -45.3036 -22.8416 -22.8416 -22.8389 -22.8389 -20.7657 -20.7657 -20.7650 -20.7650 -20.7107 -20.7107 -20.7062 -20.7062 -3.8453 -3.8453 -3.8416 -3.8416 -2.9553 -2.9553 -2.9551 -2.9551 4.8365 4.8365 4.8424 4.8424 6.5046 6.5046 6.5068 6.5068 7.2650 7.2650 7.2736 7.2736 7.6499 7.6499 7.7324 7.7324 7.9857 7.9857 8.0271 8.0271 8.7530 8.7530 8.8796 8.8796 9.7928 9.7928 9.8128 9.8128 12.0100 12.0100 12.0165 12.0165 12.2358 12.2358 12.2386 12.2386 k = 0.1093 0.1893 0.1378 ( 4850 PWs) bands (ev): -45.3043 -45.3043 -45.3043 -45.3043 -22.8392 -22.8392 -22.8369 -22.8369 -20.7634 -20.7634 -20.7626 -20.7626 -20.7072 -20.7072 -20.7031 -20.7031 -3.8820 -3.8820 -3.8789 -3.8789 -2.9724 -2.9724 -2.9723 -2.9723 4.8013 4.8013 4.8063 4.8063 6.5818 6.5818 6.5854 6.5854 7.3152 7.3152 7.3320 7.3320 7.7221 7.7221 7.8167 7.8167 7.9713 7.9713 8.0096 8.0096 8.7548 8.7548 8.8816 8.8816 9.8523 9.8523 9.8692 9.8692 12.0288 12.0288 12.0389 12.0389 12.2571 12.2571 12.2690 12.2690 k = 0.1038 0.1798 0.1378 ( 4842 PWs) bands (ev): -45.3049 -45.3049 -45.3049 -45.3049 -22.8369 -22.8369 -22.8349 -22.8349 -20.7614 -20.7614 -20.7605 -20.7605 -20.7036 -20.7036 -20.6998 -20.6998 -3.9175 -3.9175 -3.9148 -3.9148 -2.9889 -2.9889 -2.9888 -2.9888 4.7661 4.7661 4.7704 4.7704 6.6597 6.6597 6.6644 6.6644 7.3654 7.3654 7.3884 7.3884 7.7951 7.7951 7.8995 7.8995 7.9552 7.9552 7.9905 7.9905 8.7557 8.7557 8.8825 8.8825 9.9125 9.9125 9.9267 9.9267 12.0501 12.0501 12.0635 12.0635 12.2808 12.2808 12.3019 12.3019 k = 0.0984 0.1704 0.1378 ( 4846 PWs) bands (ev): -45.3055 -45.3055 -45.3055 -45.3055 -22.8347 -22.8347 -22.8330 -22.8330 -20.7596 -20.7596 -20.7587 -20.7587 -20.6998 -20.6998 -20.6964 -20.6964 -3.9517 -3.9517 -3.9494 -3.9494 -3.0049 -3.0049 -3.0048 -3.0048 4.7313 4.7313 4.7349 4.7349 6.7378 6.7378 6.7434 6.7434 7.4158 7.4158 7.4433 7.4433 7.8662 7.8662 7.9396 7.9396 7.9642 7.9642 7.9866 7.9866 8.7557 8.7557 8.8820 8.8820 9.9727 9.9727 9.9848 9.9848 12.0741 12.0741 12.0905 12.0905 12.3061 12.3061 12.3362 12.3362 k = 0.0929 0.1609 0.1378 ( 4850 PWs) bands (ev): -45.3062 -45.3062 -45.3062 -45.3062 -22.8326 -22.8326 -22.8311 -22.8311 -20.7580 -20.7580 -20.7571 -20.7571 -20.6960 -20.6960 -20.6930 -20.6930 -3.9845 -3.9845 -3.9825 -3.9825 -3.0202 -3.0202 -3.0201 -3.0201 4.6971 4.6971 4.7000 4.7000 6.8157 6.8157 6.8220 6.8220 7.4662 7.4662 7.4969 7.4969 7.9067 7.9067 7.9468 7.9468 7.9530 7.9530 8.0615 8.0615 8.7548 8.7548 8.8803 8.8803 10.0328 10.0328 10.0430 10.0430 12.1011 12.1011 12.1199 12.1199 12.3322 12.3322 12.3708 12.3708 k = 0.0874 0.1514 0.1378 ( 4846 PWs) bands (ev): -45.3067 -45.3067 -45.3067 -45.3067 -22.8305 -22.8305 -22.8293 -22.8293 -20.7566 -20.7566 -20.7558 -20.7558 -20.6921 -20.6921 -20.6896 -20.6896 -4.0158 -4.0158 -4.0141 -4.0141 -3.0348 -3.0348 -3.0348 -3.0348 4.6637 4.6637 4.6661 4.6661 6.8930 6.8930 6.8997 6.8997 7.5164 7.5164 7.5493 7.5493 7.8935 7.8935 7.9258 7.9258 8.0182 8.0182 8.1367 8.1367 8.7530 8.7530 8.8772 8.8772 10.0922 10.0922 10.1009 10.1009 12.1311 12.1311 12.1517 12.1517 12.3584 12.3584 12.4043 12.4043 k = 0.0820 0.1420 0.1378 ( 4846 PWs) bands (ev): -45.3073 -45.3073 -45.3073 -45.3073 -22.8286 -22.8286 -22.8275 -22.8275 -20.7553 -20.7553 -20.7546 -20.7546 -20.6883 -20.6883 -20.6861 -20.6861 -4.0456 -4.0456 -4.0442 -4.0442 -3.0488 -3.0488 -3.0487 -3.0487 4.6314 4.6314 4.6334 4.6334 6.9691 6.9691 6.9762 6.9762 7.5660 7.5660 7.6001 7.6001 7.8759 7.8759 7.9056 7.9056 8.0861 8.0861 8.2081 8.2081 8.7504 8.7504 8.8728 8.8728 10.1506 10.1506 10.1580 10.1580 12.1638 12.1638 12.1855 12.1855 12.3842 12.3842 12.4345 12.4345 k = 0.0765 0.1325 0.1378 ( 4826 PWs) bands (ev): -45.3077 -45.3077 -45.3077 -45.3077 -22.8267 -22.8267 -22.8259 -22.8259 -20.7542 -20.7542 -20.7536 -20.7536 -20.6845 -20.6845 -20.6827 -20.6827 -4.0737 -4.0737 -4.0726 -4.0726 -3.0620 -3.0620 -3.0620 -3.0620 4.6003 4.6003 4.6019 4.6019 7.0436 7.0436 7.0509 7.0509 7.6140 7.6140 7.6485 7.6485 7.8596 7.8596 7.8872 7.8872 8.1516 8.1516 8.2749 8.2749 8.7472 8.7472 8.8671 8.8671 10.2078 10.2078 10.2141 10.2141 12.1989 12.1989 12.2207 12.2207 12.4090 12.4090 12.4566 12.4566 k = 0.0710 0.1230 0.1378 ( 4838 PWs) bands (ev): -45.3083 -45.3083 -45.3083 -45.3083 -22.8250 -22.8250 -22.8243 -22.8243 -20.7533 -20.7533 -20.7528 -20.7528 -20.6809 -20.6809 -20.6794 -20.6794 -4.1002 -4.1002 -4.0993 -4.0993 -3.0744 -3.0744 -3.0744 -3.0744 4.5707 4.5707 4.5720 4.5720 7.1160 7.1160 7.1233 7.1233 7.6588 7.6588 7.6924 7.6924 7.8474 7.8474 7.8726 7.8726 8.2138 8.2138 8.3365 8.3365 8.7436 8.7436 8.8600 8.8600 10.2632 10.2632 10.2687 10.2687 12.2356 12.2356 12.2562 12.2562 12.4330 12.4330 12.4659 12.4659 k = 0.0656 0.1136 0.1378 ( 4846 PWs) bands (ev): -45.3088 -45.3088 -45.3088 -45.3088 -22.8234 -22.8234 -22.8229 -22.8229 -20.7525 -20.7525 -20.7520 -20.7520 -20.6774 -20.6774 -20.6762 -20.6762 -4.1250 -4.1250 -4.1243 -4.1243 -3.0861 -3.0861 -3.0860 -3.0860 4.5427 4.5427 4.5436 4.5436 7.1858 7.1858 7.1929 7.1929 7.6970 7.6970 7.7262 7.7262 7.8450 7.8450 7.8652 7.8652 8.2721 8.2721 8.3922 8.3922 8.7397 8.7397 8.8517 8.8517 10.3167 10.3167 10.3214 10.3214 12.2731 12.2731 12.2905 12.2905 12.4565 12.4565 12.4655 12.4655 k = 0.0601 0.1041 0.1378 ( 4848 PWs) bands (ev): -45.3093 -45.3093 -45.3093 -45.3093 -22.8219 -22.8219 -22.8215 -22.8215 -20.7517 -20.7517 -20.7514 -20.7514 -20.6740 -20.6740 -20.6731 -20.6731 -4.1480 -4.1480 -4.1474 -4.1474 -3.0969 -3.0969 -3.0969 -3.0969 4.5164 4.5164 4.5171 4.5171 7.2524 7.2524 7.2592 7.2592 7.7228 7.7228 7.7418 7.7418 7.8610 7.8610 7.8708 7.8708 8.3259 8.3259 8.4414 8.4414 8.7362 8.7362 8.8422 8.8422 10.3678 10.3678 10.3718 10.3718 12.3098 12.3098 12.3215 12.3215 12.4619 12.4619 12.4805 12.4805 k = 0.0546 0.0946 0.1378 ( 4848 PWs) bands (ev): -45.3097 -45.3097 -45.3097 -45.3097 -22.8205 -22.8205 -22.8202 -22.8202 -20.7511 -20.7511 -20.7509 -20.7509 -20.6709 -20.6709 -20.6702 -20.6702 -4.1691 -4.1691 -4.1687 -4.1687 -3.1069 -3.1069 -3.1068 -3.1068 4.4919 4.4919 4.4925 4.4925 7.3153 7.3153 7.3217 7.3217 7.7326 7.7326 7.7408 7.7408 7.8930 7.8930 7.8935 7.8935 8.3751 8.3751 8.4834 8.4834 8.7335 8.7335 8.8319 8.8319 10.4162 10.4162 10.4195 10.4195 12.3434 12.3434 12.3471 12.3471 12.4597 12.4597 12.5064 12.5064 k = 0.0492 0.0852 0.1378 ( 4844 PWs) bands (ev): -45.3100 -45.3100 -45.3100 -45.3100 -22.8193 -22.8193 -22.8190 -22.8190 -20.7506 -20.7506 -20.7504 -20.7504 -20.6680 -20.6680 -20.6675 -20.6675 -4.1884 -4.1884 -4.1881 -4.1881 -3.1159 -3.1159 -3.1159 -3.1159 4.4694 4.4694 4.4698 4.4698 7.3739 7.3739 7.3797 7.3797 7.7308 7.7308 7.7327 7.7327 7.9272 7.9272 7.9331 7.9331 8.4192 8.4192 8.5173 8.5173 8.7325 8.7325 8.8209 8.8209 10.4614 10.4614 10.4641 10.4641 12.3657 12.3657 12.3700 12.3700 12.4630 12.4630 12.5344 12.5344 k = 0.0437 0.0757 0.1378 ( 4848 PWs) bands (ev): -45.3104 -45.3104 -45.3104 -45.3104 -22.8182 -22.8182 -22.8180 -22.8180 -20.7502 -20.7502 -20.7500 -20.7500 -20.6654 -20.6654 -20.6650 -20.6650 -4.2058 -4.2058 -4.2056 -4.2056 -3.1241 -3.1241 -3.1241 -3.1241 4.4491 4.4491 4.4493 4.4493 7.4275 7.4275 7.4327 7.4327 7.7227 7.7227 7.7238 7.7238 7.9668 7.9668 7.9745 7.9745 8.4577 8.4577 8.5425 8.5425 8.7339 8.7339 8.8096 8.8096 10.5032 10.5032 10.5052 10.5052 12.3774 12.3774 12.3850 12.3850 12.4753 12.4753 12.5611 12.5611 k = 0.0383 0.0663 0.1378 ( 4844 PWs) bands (ev): -45.3107 -45.3107 -45.3107 -45.3107 -22.8172 -22.8172 -22.8170 -22.8170 -20.7498 -20.7498 -20.7497 -20.7497 -20.6630 -20.6630 -20.6627 -20.6627 -4.2212 -4.2212 -4.2211 -4.2211 -3.1314 -3.1314 -3.1313 -3.1313 4.4309 4.4309 4.4311 4.4311 7.4755 7.4755 7.4799 7.4799 7.7134 7.7134 7.7155 7.7155 8.0076 8.0076 8.0151 8.0151 8.4905 8.4905 8.5589 8.5589 8.7380 8.7380 8.7987 8.7987 10.5410 10.5410 10.5426 10.5426 12.3830 12.3830 12.3893 12.3893 12.4946 12.4946 12.5711 12.5711 k = 0.0328 0.0568 0.1378 ( 4844 PWs) bands (ev): -45.3110 -45.3110 -45.3110 -45.3110 -22.8163 -22.8163 -22.8162 -22.8162 -20.7495 -20.7495 -20.7494 -20.7494 -20.6609 -20.6609 -20.6607 -20.6607 -4.2346 -4.2346 -4.2345 -4.2345 -3.1377 -3.1377 -3.1377 -3.1377 4.4149 4.4149 4.4151 4.4151 7.5171 7.5171 7.5207 7.5207 7.7057 7.7057 7.7081 7.7081 8.0474 8.0474 8.0536 8.0536 8.5169 8.5169 8.5675 8.5675 8.7445 8.7445 8.7889 8.7889 10.5746 10.5746 10.5757 10.5757 12.3842 12.3842 12.3879 12.3879 12.5148 12.5148 12.5676 12.5676 k = 0.0273 0.0473 0.1378 ( 4844 PWs) bands (ev): -45.3112 -45.3112 -45.3112 -45.3112 -22.8156 -22.8156 -22.8155 -22.8155 -20.7492 -20.7492 -20.7492 -20.7492 -20.6591 -20.6591 -20.6590 -20.6590 -4.2461 -4.2461 -4.2460 -4.2460 -3.1431 -3.1431 -3.1430 -3.1430 4.4013 4.4013 4.4014 4.4014 7.5515 7.5515 7.5541 7.5541 7.7007 7.7007 7.7028 7.7028 8.0844 8.0844 8.0890 8.0890 8.5368 8.5368 8.5701 8.5701 8.7519 8.7519 8.7808 8.7808 10.6036 10.6036 10.6042 10.6042 12.3824 12.3824 12.3841 12.3841 12.5316 12.5316 12.5629 12.5629 k = 0.0219 0.0379 0.1378 ( 4846 PWs) bands (ev): -45.3114 -45.3114 -45.3114 -45.3114 -22.8150 -22.8150 -22.8149 -22.8149 -20.7490 -20.7490 -20.7490 -20.7490 -20.6576 -20.6576 -20.6576 -20.6576 -4.2554 -4.2554 -4.2554 -4.2554 -3.1475 -3.1475 -3.1474 -3.1474 4.3901 4.3901 4.3902 4.3902 7.5778 7.5778 7.5795 7.5795 7.6990 7.6990 7.7004 7.7004 8.1175 8.1175 8.1203 8.1203 8.5501 8.5501 8.5689 8.5689 8.7591 8.7591 8.7752 8.7752 10.6277 10.6277 10.6280 10.6280 12.3790 12.3790 12.3796 12.3796 12.5434 12.5434 12.5591 12.5591 k = 0.0164 0.0284 0.1378 ( 4848 PWs) bands (ev): -45.3115 -45.3115 -45.3115 -45.3115 -22.8145 -22.8145 -22.8145 -22.8145 -20.7489 -20.7489 -20.7489 -20.7489 -20.6565 -20.6565 -20.6564 -20.6564 -4.2627 -4.2627 -4.2627 -4.2627 -3.1509 -3.1509 -3.1509 -3.1509 4.3814 4.3814 4.3814 4.3814 7.5958 7.5958 7.5967 7.5967 7.7004 7.7004 7.7012 7.7012 8.1452 8.1452 8.1466 8.1466 8.5573 8.5573 8.5659 8.5659 8.7650 8.7650 8.7721 8.7721 10.6466 10.6466 10.6468 10.6468 12.3752 12.3752 12.3753 12.3753 12.5502 12.5502 12.5566 12.5566 k = 0.0109 0.0189 0.1378 ( 4852 PWs) bands (ev): -45.3117 -45.3117 -45.3117 -45.3117 -22.8142 -22.8142 -22.8142 -22.8142 -20.7488 -20.7488 -20.7488 -20.7488 -20.6556 -20.6556 -20.6556 -20.6556 -4.2680 -4.2680 -4.2679 -4.2679 -3.1534 -3.1534 -3.1534 -3.1534 4.3751 4.3751 4.3751 4.3751 7.6064 7.6064 7.6067 7.6067 7.7038 7.7038 7.7041 7.7041 8.1662 8.1662 8.1667 8.1667 8.5601 8.5601 8.5627 8.5627 8.7690 8.7690 8.7712 8.7712 10.6602 10.6602 10.6603 10.6603 12.3718 12.3718 12.3718 12.3718 12.5535 12.5535 12.5553 12.5553 k = 0.0055 0.0095 0.1378 ( 4868 PWs) bands (ev): -45.3118 -45.3118 -45.3118 -45.3118 -22.8140 -22.8140 -22.8140 -22.8140 -20.7487 -20.7487 -20.7487 -20.7487 -20.6551 -20.6551 -20.6551 -20.6551 -4.2711 -4.2711 -4.2711 -4.2711 -3.1549 -3.1549 -3.1548 -3.1548 4.3713 4.3713 4.3713 4.3713 7.6116 7.6116 7.6116 7.6116 7.7070 7.7070 7.7071 7.7071 8.1793 8.1793 8.1794 8.1794 8.5603 8.5603 8.5606 8.5606 8.7712 8.7712 8.7715 8.7715 10.6685 10.6685 10.6685 10.6685 12.3695 12.3695 12.3695 12.3695 12.5546 12.5546 12.5548 12.5548 k = 0.0000 0.0000 0.1378 ( 4888 PWs) bands (ev): -45.3120 -45.3120 -45.3120 -45.3120 -22.8139 -22.8139 -22.8139 -22.8139 -20.7487 -20.7487 -20.7487 -20.7487 -20.6550 -20.6550 -20.6550 -20.6550 -4.2722 -4.2722 -4.2721 -4.2721 -3.1554 -3.1554 -3.1553 -3.1553 4.3700 4.3700 4.3700 4.3700 7.6131 7.6131 7.6131 7.6131 7.7083 7.7083 7.7083 7.7083 8.1838 8.1838 8.1838 8.1838 8.5600 8.5600 8.5600 8.5600 8.7718 8.7718 8.7718 8.7718 10.6712 10.6712 10.6712 10.6712 12.3687 12.3687 12.3687 12.3687 12.5548 12.5548 12.5548 12.5548 k = 0.5000 0.2887 0.1378 ( 4876 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8018 -2.8018 -2.8017 -2.8017 -2.5389 -2.5389 -2.5388 -2.5388 4.3355 4.3355 4.3355 4.3355 5.1346 5.1346 5.1346 5.1346 6.1547 6.1547 6.1548 6.1548 7.0871 7.0871 7.0871 7.0871 7.9392 7.9392 7.9393 7.9393 8.7835 8.7835 8.7835 8.7835 9.4496 9.4496 9.4497 9.4497 12.2004 12.2004 12.2004 12.2004 12.5575 12.5575 12.5575 12.5575 k = 0.5000 0.2887 0.1272 ( 4882 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8081 -2.8081 -2.7949 -2.7949 -2.5485 -2.5485 -2.5297 -2.5297 4.3288 4.3288 4.3414 4.3414 5.0994 5.0994 5.1731 5.1731 6.1516 6.1516 6.1568 6.1568 7.0756 7.0756 7.0989 7.0989 7.8549 7.8549 8.0242 8.0242 8.7583 8.7583 8.8087 8.8087 9.4356 9.4356 9.4619 9.4619 12.1968 12.1968 12.2043 12.2043 12.5541 12.5541 12.5624 12.5624 k = 0.5000 0.2887 0.1166 ( 4878 PWs) bands (ev): -45.2881 -45.2881 -45.2881 -45.2881 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8140 -2.8140 -2.7876 -2.7876 -2.5586 -2.5586 -2.5210 -2.5210 4.3215 4.3215 4.3465 4.3465 5.0677 5.0677 5.2148 5.2148 6.1476 6.1476 6.1575 6.1575 7.0645 7.0645 7.1109 7.1109 7.7720 7.7720 8.1090 8.1090 8.7334 8.7334 8.8337 8.8337 9.4195 9.4195 9.4724 9.4724 12.1934 12.1934 12.2083 12.2083 12.5523 12.5523 12.5685 12.5685 k = 0.5000 0.2887 0.1060 ( 4876 PWs) bands (ev): -45.2881 -45.2881 -45.2880 -45.2880 -22.8955 -22.8955 -22.8955 -22.8955 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8194 -2.8194 -2.7799 -2.7799 -2.5690 -2.5690 -2.5129 -2.5129 4.3136 4.3136 4.3509 4.3509 5.0395 5.0395 5.2592 5.2592 6.1429 6.1429 6.1564 6.1564 7.0540 7.0540 7.1227 7.1227 7.6914 7.6914 8.1928 8.1928 8.7091 8.7091 8.8580 8.8580 9.4012 9.4012 9.4814 9.4814 12.1902 12.1902 12.2124 12.2124 12.5525 12.5525 12.5755 12.5755 k = 0.5000 0.2887 0.0954 ( 4860 PWs) bands (ev): -45.2880 -45.2880 -45.2880 -45.2880 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8243 -2.8243 -2.7718 -2.7718 -2.5797 -2.5797 -2.5054 -2.5054 4.3054 4.3054 4.3545 4.3545 5.0148 5.0148 5.3059 5.3059 6.1379 6.1379 6.1534 6.1534 7.0441 7.0441 7.1343 7.1343 7.6139 7.6139 8.2749 8.2749 8.6858 8.6858 8.8816 8.8816 9.3806 9.3806 9.4890 9.4890 12.1873 12.1873 12.2165 12.2165 12.5548 12.5548 12.5829 12.5829 k = 0.5000 0.2887 0.0848 ( 4856 PWs) bands (ev): -45.2880 -45.2880 -45.2879 -45.2879 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8287 -2.8287 -2.7633 -2.7633 -2.5906 -2.5906 -2.4985 -2.4985 4.2970 4.2970 4.3575 4.3575 4.9935 4.9935 5.3542 5.3542 6.1327 6.1327 6.1482 6.1482 7.0351 7.0351 7.1455 7.1455 7.5406 7.5406 8.3546 8.3546 8.6639 8.6639 8.9042 8.9042 9.3575 9.3575 9.4953 9.4953 12.1846 12.1846 12.2206 12.2206 12.5592 12.5592 12.5905 12.5905 k = 0.5000 0.2887 0.0742 ( 4852 PWs) bands (ev): -45.2879 -45.2879 -45.2879 -45.2879 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8326 -2.8326 -2.7543 -2.7543 -2.6017 -2.6017 -2.4923 -2.4923 4.2888 4.2888 4.3599 4.3599 4.9754 4.9754 5.4036 5.4036 6.1271 6.1271 6.1407 6.1407 7.0269 7.0269 7.1560 7.1560 7.4725 7.4725 8.4308 8.4308 8.6437 8.6437 8.9259 8.9259 9.3321 9.3321 9.5006 9.5006 12.1823 12.1823 12.2245 12.2245 12.5657 12.5657 12.5981 12.5981 k = 0.5000 0.2887 0.0636 ( 4848 PWs) bands (ev): -45.2879 -45.2879 -45.2878 -45.2878 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8360 -2.8360 -2.7451 -2.7451 -2.6130 -2.6130 -2.4869 -2.4869 4.2809 4.2809 4.3617 4.3617 4.9603 4.9603 5.4529 5.4529 6.1207 6.1207 6.1318 6.1318 7.0196 7.0196 7.1657 7.1657 7.4107 7.4107 8.5024 8.5024 8.6256 8.6256 8.9465 8.9465 9.3041 9.3041 9.5049 9.5049 12.1803 12.1803 12.2282 12.2282 12.5741 12.5741 12.6052 12.6052 k = 0.5000 0.2887 0.0530 ( 4850 PWs) bands (ev): -45.2879 -45.2879 -45.2879 -45.2879 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8389 -2.8389 -2.7355 -2.7355 -2.6242 -2.6242 -2.4823 -2.4823 4.2737 4.2737 4.3632 4.3632 4.9480 4.9480 5.5009 5.5009 6.1112 6.1112 6.1240 6.1240 7.0133 7.0133 7.1743 7.1743 7.3561 7.3561 8.5667 8.5667 8.6116 8.6116 8.9665 8.9665 9.2740 9.2740 9.5084 9.5084 12.1785 12.1785 12.2316 12.2316 12.5839 12.5839 12.6116 12.6116 k = 0.5000 0.2887 0.0424 ( 4854 PWs) bands (ev): -45.2879 -45.2879 -45.2879 -45.2879 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8413 -2.8413 -2.7257 -2.7257 -2.6355 -2.6355 -2.4784 -2.4784 4.2674 4.2674 4.3642 4.3642 4.9384 4.9384 5.5461 5.5461 6.0976 6.0976 6.1188 6.1188 7.0081 7.0081 7.1817 7.1817 7.3099 7.3099 8.5910 8.5910 8.6331 8.6331 8.9862 8.9862 9.2419 9.2419 9.5111 9.5111 12.1771 12.1771 12.2345 12.2345 12.5945 12.5945 12.6171 12.6171 k = 0.5000 0.2887 0.0318 ( 4854 PWs) bands (ev): -45.2880 -45.2880 -45.2879 -45.2879 -22.8954 -22.8954 -22.8954 -22.8954 -20.8727 -20.8727 -20.8727 -20.8727 -20.7256 -20.7256 -20.7256 -20.7256 -2.8431 -2.8431 -2.7157 -2.7157 -2.6467 -2.6467 -2.4754 -2.4754 4.2623 4.2623 4.3650 4.3650 4.9310 4.9310 5.5863 5.5863 6.0825 6.0825 6.1153 6.1153 7.0040 7.0040 7.1876 7.1876 7.2730 7.2730 8.5822 8.5822 8.6812 8.6812 9.0065 9.0065 9.2087 9.2087 9.5131 9.5131 12.1760 12.1760 12.2369 12.2369 12.6051 12.6051 12.6215 12.6215 k = 0.5000 0.2887 0.0212 ( 4848 PWs) bands (ev): -45.2880 -45.2880 -45.2878 -45.2878 -22.8955 -22.8955 -22.8954 -22.8954 -20.8727 -20.8727 -20.8726 -20.8726 -20.7256 -20.7256 -20.7256 -20.7256 -2.8444 -2.8444 -2.7057 -2.7057 -2.6574 -2.6574 -2.4732 -2.4732 4.2585 4.2585 4.3655 4.3655 4.9259 4.9259 5.6187 5.6187 6.0684 6.0684 6.1130 6.1130 7.0011 7.0011 7.1919 7.1919 7.2460 7.2460 8.5747 8.5747 8.7194 8.7194 9.0276 9.0276 9.1759 9.1759 9.5145 9.5145 12.1753 12.1753 12.2386 12.2386 12.6144 12.6144 12.6246 12.6246 k = 0.5000 0.2887 0.0106 ( 4852 PWs) bands (ev): -45.2880 -45.2880 -45.2878 -45.2878 -22.8955 -22.8955 -22.8954 -22.8954 -20.8727 -20.8727 -20.8726 -20.8726 -20.7256 -20.7256 -20.7256 -20.7256 -2.8452 -2.8452 -2.6965 -2.6965 -2.6672 -2.6672 -2.4719 -2.4719 4.2561 4.2561 4.3658 4.3658 4.9229 4.9229 5.6401 5.6401 6.0581 6.0581 6.1115 6.1115 6.9993 6.9993 7.1946 7.1946 7.2295 7.2295 8.5700 8.5700 8.7437 8.7437 9.0481 9.0481 9.1472 9.1472 9.5153 9.5153 12.1748 12.1748 12.2397 12.2397 12.6211 12.6211 12.6261 12.6261 k = 0.5000 0.2887-0.0000 ( 4844 PWs) bands (ev): -45.2880 -45.2880 -45.2877 -45.2877 -22.8955 -22.8955 -22.8954 -22.8954 -20.8727 -20.8727 -20.8726 -20.8726 -20.7256 -20.7256 -20.7256 -20.7256 -2.8455 -2.8455 -2.6914 -2.6914 -2.6724 -2.6724 -2.4715 -2.4715 4.2553 4.2553 4.3659 4.3659 4.9220 4.9220 5.6477 5.6477 6.0543 6.0543 6.1111 6.1111 6.9987 6.9987 7.1955 7.1955 7.2240 7.2240 8.5684 8.5684 8.7521 8.7521 9.0589 9.0589 9.1335 9.1335 9.5156 9.5156 12.1746 12.1746 12.2401 12.2401 12.6240 12.6240 12.6262 12.6262 k = 0.3333 0.5774-0.0000 ( 4857 PWs) bands (ev): -45.2850 -45.2850 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8871 4.8871 5.0202 5.0202 5.2209 5.2209 5.6132 5.6132 5.6603 5.6603 5.7474 5.7474 6.4935 6.4935 6.6023 6.6023 6.6586 6.6586 7.3771 7.3771 7.7269 7.7269 7.7429 7.7429 10.0576 10.0576 10.2114 10.2114 11.5915 11.5915 11.6193 11.6193 12.9191 12.9191 12.9192 12.9192 k = 0.3333 0.5774 0.0106 ( 4866 PWs) bands (ev): -45.2850 -45.2850 -45.2850 -45.2850 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8864 4.8864 5.0193 5.0193 5.2220 5.2220 5.6154 5.6154 5.6627 5.6627 5.7442 5.7442 6.4953 6.4953 6.5995 6.5995 6.6580 6.6580 7.3748 7.3748 7.7283 7.7283 7.7443 7.7443 10.0582 10.0582 10.2119 10.2119 11.5916 11.5916 11.6192 11.6192 12.9053 12.9053 12.9102 12.9102 k = 0.3333 0.5774 0.0212 ( 4866 PWs) bands (ev): -45.2850 -45.2850 -45.2850 -45.2850 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8845 4.8845 5.0169 5.0169 5.2252 5.2252 5.6219 5.6219 5.6698 5.6698 5.7349 5.7349 6.4999 6.4999 6.5911 6.5911 6.6572 6.6572 7.3680 7.3680 7.7324 7.7324 7.7484 7.7484 10.0597 10.0597 10.2135 10.2135 11.5918 11.5918 11.6191 11.6191 12.8713 12.8713 12.8864 12.8864 k = 0.3333 0.5774 0.0318 ( 4869 PWs) bands (ev): -45.2851 -45.2851 -45.2850 -45.2850 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8814 4.8814 5.0130 5.0130 5.2306 5.2306 5.6324 5.6324 5.6806 5.6806 5.7210 5.7210 6.5041 6.5041 6.5775 6.5775 6.6589 6.6589 7.3566 7.3566 7.7389 7.7389 7.7550 7.7550 10.0622 10.0622 10.2160 10.2160 11.5921 11.5921 11.6188 11.6188 12.8285 12.8285 12.8534 12.8534 k = 0.3333 0.5774 0.0424 ( 4878 PWs) bands (ev): -45.2851 -45.2851 -45.2851 -45.2851 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8774 4.8774 5.0080 5.0080 5.2381 5.2381 5.6465 5.6465 5.6875 5.6875 5.7105 5.7105 6.5036 6.5036 6.5595 6.5595 6.6671 6.6671 7.3410 7.3410 7.7472 7.7472 7.7635 7.7635 10.0655 10.0655 10.2194 10.2194 11.5925 11.5925 11.6185 11.6185 12.7834 12.7834 12.8161 12.8161 k = 0.3333 0.5774 0.0530 ( 4878 PWs) bands (ev): -45.2851 -45.2851 -45.2851 -45.2851 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4592 -2.4592 -2.4577 -2.4577 4.8728 4.8728 5.0023 5.0023 5.2476 5.2476 5.6635 5.6635 5.6713 5.6713 5.7230 5.7230 6.4953 6.4953 6.5380 6.5380 6.6843 6.6843 7.3214 7.3214 7.7570 7.7570 7.7733 7.7733 10.0694 10.0694 10.2235 10.2235 11.5931 11.5931 11.6181 11.6181 12.7392 12.7392 12.7778 12.7778 k = 0.3333 0.5774 0.0636 ( 4872 PWs) bands (ev): -45.2852 -45.2852 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5464 -2.5464 -2.4591 -2.4591 -2.4577 -2.4577 4.8679 4.8679 4.9963 4.9963 5.2590 5.2590 5.6467 5.6467 5.6827 5.6827 5.7442 5.7442 6.4795 6.4795 6.5139 6.5139 6.7104 6.7104 7.2980 7.2980 7.7673 7.7673 7.7838 7.7838 10.0737 10.0737 10.2279 10.2279 11.5937 11.5937 11.6177 11.6177 12.6974 12.6974 12.7407 12.7407 k = 0.3333 0.5774 0.0742 ( 4875 PWs) bands (ev): -45.2852 -45.2852 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4577 -2.4577 4.8629 4.8629 4.9903 4.9903 5.2721 5.2721 5.6199 5.6199 5.7033 5.7033 5.7680 5.7680 6.4582 6.4582 6.4884 6.4884 6.7429 6.7429 7.2713 7.2713 7.7778 7.7778 7.7943 7.7943 10.0782 10.0782 10.2326 10.2326 11.5943 11.5943 11.6172 11.6172 12.6593 12.6593 12.7062 12.7062 k = 0.3333 0.5774 0.0848 ( 4869 PWs) bands (ev): -45.2852 -45.2852 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4577 -2.4577 4.8582 4.8582 4.9846 4.9846 5.2865 5.2865 5.5926 5.5926 5.7242 5.7242 5.7927 5.7927 6.4341 6.4341 6.4629 6.4629 6.7795 6.7795 7.2418 7.2418 7.7877 7.7877 7.8044 7.8044 10.0827 10.0827 10.2372 10.2372 11.5950 11.5950 11.6167 11.6167 12.6258 12.6258 12.6754 12.6754 k = 0.3333 0.5774 0.0954 ( 4869 PWs) bands (ev): -45.2852 -45.2852 -45.2849 -45.2849 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8541 4.8541 4.9796 4.9796 5.3019 5.3019 5.5660 5.5660 5.7442 5.7442 5.8167 5.8167 6.4096 6.4096 6.4388 6.4388 6.8179 6.8179 7.2105 7.2105 7.7965 7.7965 7.8133 7.8133 10.0868 10.0868 10.2414 10.2414 11.5957 11.5957 11.6162 11.6162 12.5974 12.5974 12.6491 12.6491 k = 0.3333 0.5774 0.1060 ( 4878 PWs) bands (ev): -45.2852 -45.2852 -45.2850 -45.2850 -22.9140 -22.9140 -22.8920 -22.8920 -20.8834 -20.8834 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8506 4.8506 4.9754 4.9754 5.3174 5.3174 5.5413 5.5413 5.7619 5.7619 5.8384 5.8384 6.3870 6.3870 6.4177 6.4177 6.8561 6.8561 7.1785 7.1785 7.8038 7.8038 7.8207 7.8207 10.0902 10.0902 10.2449 10.2449 11.5962 11.5962 11.6157 11.6157 12.5747 12.5747 12.6280 12.6280 k = 0.3333 0.5774 0.1166 ( 4896 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9140 -22.9140 -22.8920 -22.8920 -20.8835 -20.8835 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8480 4.8480 4.9723 4.9723 5.3315 5.3315 5.5204 5.5204 5.7760 5.7760 5.8559 5.8559 6.3685 6.3685 6.4010 6.4010 6.8911 6.8911 7.1482 7.1482 7.8093 7.8093 7.8263 7.8263 10.0929 10.0929 10.2476 10.2476 11.5967 11.5967 11.6153 11.6153 12.5582 12.5582 12.6126 12.6126 k = 0.3333 0.5774 0.1272 ( 4890 PWs) bands (ev): -45.2852 -45.2852 -45.2851 -45.2851 -22.9140 -22.9140 -22.8920 -22.8920 -20.8835 -20.8835 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8464 4.8464 4.9704 4.9704 5.3421 5.3421 5.5058 5.5058 5.7850 5.7850 5.8675 5.8675 6.3563 6.3563 6.3904 6.3904 6.9178 6.9178 7.1244 7.1244 7.8126 7.8126 7.8297 7.8297 10.0945 10.0945 10.2494 10.2494 11.5970 11.5970 11.6151 11.6151 12.5482 12.5482 12.6032 12.6032 k = 0.3333 0.5774 0.1378 ( 4896 PWs) bands (ev): -45.2852 -45.2852 -45.2852 -45.2852 -22.9140 -22.9140 -22.8920 -22.8920 -20.8835 -20.8835 -20.8389 -20.8389 -20.7728 -20.7728 -20.7584 -20.7584 -2.5903 -2.5903 -2.5465 -2.5465 -2.4591 -2.4591 -2.4576 -2.4576 4.8459 4.8459 4.9698 4.9698 5.3461 5.3461 5.5004 5.5004 5.7882 5.7882 5.8716 5.8716 6.3520 6.3520 6.3867 6.3867 6.9284 6.9284 7.1148 7.1148 7.8138 7.8138 7.8309 7.8309 10.0951 10.0951 10.2499 10.2499 11.5971 11.5971 11.6150 11.6150 12.5448 12.5448 12.6000 12.6000 Writing output data file NbSe2.save init_run : 0.17s CPU 0.31s WALL ( 1 calls) electrons : 167.80s CPU 170.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 167.79s CPU 170.37s 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 : 0.03s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 338 calls) cegterg : 151.58s CPU 153.57s WALL ( 399 calls) Called by sum_band: Called by *egterg: h_psi : 78.86s CPU 80.48s WALL ( 7076 calls) s_psi : 4.44s CPU 4.22s WALL ( 7076 calls) g_psi : 0.22s CPU 0.26s WALL ( 6339 calls) cdiaghg : 57.87s CPU 58.93s WALL ( 6677 calls) cegterg:over : 7.97s CPU 7.99s WALL ( 6339 calls) cegterg:upda : 7.08s CPU 6.89s WALL ( 6339 calls) cegterg:last : 3.73s CPU 3.74s WALL ( 1075 calls) cdiaghg:chol : 3.36s CPU 3.35s WALL ( 6677 calls) cdiaghg:inve : 2.26s CPU 2.25s WALL ( 6677 calls) cdiaghg:para : 3.74s CPU 3.71s WALL ( 13354 calls) Called by h_psi: h_psi:vloc : 67.89s CPU 69.29s WALL ( 7076 calls) h_psi:vnl : 10.70s CPU 10.91s WALL ( 7076 calls) add_vuspsi : 4.90s CPU 5.07s WALL ( 7076 calls) General routines calbec : 5.76s CPU 5.83s WALL ( 7076 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.54s CPU 64.97s WALL ( 854128 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 676 calls) Parallel routines fft_scatter : 25.20s CPU 25.59s WALL ( 854151 calls) PWSCF : 3m 7.57s CPU 3m26.66s WALL This run was terminated on: 20:59: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=