Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:45:57 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: ./HgTe.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 56 23 6 2343 617 98 Max 57 24 7 2345 630 105 Sum 2027 833 245 84393 22421 3671 bravais-lattice index = 14 lattice parameter (alat) = 7.8364 a.u. unit-cell volume = 589.4245 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.836367 celldm(2)= 1.000000 celldm(3)= 1.231062 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.100308 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.100308 0.994956 0.000000 ) a(3) = ( 0.000000 0.000000 1.231062 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.100817 -0.000000 ) b(2) = ( 0.000000 1.005069 -0.000000 ) b(3) = ( 0.000000 0.000000 0.812307 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Te 6.00 127.60000 Te( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6155308 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.6155308 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0087388 0.0096641 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0174776 0.0193283 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0262164 0.0289924 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0349552 0.0386565 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0436940 0.0483206 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0524329 0.0579848 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0611717 0.0676489 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0699105 0.0773130 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0786493 0.0869771 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0873881 0.0966413 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0961269 0.1063054 -0.0000000), wk = 0.0023474 k( 13) = ( 0.1048657 0.1159695 -0.0000000), wk = 0.0023474 k( 14) = ( 0.1136045 0.1256336 -0.0000000), wk = 0.0023474 k( 15) = ( 0.1223434 0.1352978 -0.0000000), wk = 0.0023474 k( 16) = ( 0.1310822 0.1449619 -0.0000000), wk = 0.0023474 k( 17) = ( 0.1398210 0.1546260 -0.0000000), wk = 0.0023474 k( 18) = ( 0.1485598 0.1642902 -0.0000000), wk = 0.0023474 k( 19) = ( 0.1572986 0.1739543 -0.0000000), wk = 0.0023474 k( 20) = ( 0.1660374 0.1836184 -0.0000000), wk = 0.0023474 k( 21) = ( 0.1747762 0.1932825 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1835150 0.2029467 -0.0000000), wk = 0.0023474 k( 23) = ( 0.1922538 0.2126108 -0.0000000), wk = 0.0023474 k( 24) = ( 0.2009926 0.2222749 -0.0000000), wk = 0.0023474 k( 25) = ( 0.2097315 0.2319390 -0.0000000), wk = 0.0023474 k( 26) = ( 0.2184703 0.2416032 -0.0000000), wk = 0.0023474 k( 27) = ( 0.2272091 0.2512673 -0.0000000), wk = 0.0023474 k( 28) = ( 0.2359479 0.2609314 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2446867 0.2705955 -0.0000000), wk = 0.0023474 k( 30) = ( 0.2534255 0.2802597 -0.0000000), wk = 0.0023474 k( 31) = ( 0.2621643 0.2899238 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2709031 0.2995879 -0.0000000), wk = 0.0023474 k( 33) = ( 0.2796419 0.3092520 -0.0000000), wk = 0.0023474 k( 34) = ( 0.2883808 0.3189162 -0.0000000), wk = 0.0023474 k( 35) = ( 0.2971196 0.3285803 -0.0000000), wk = 0.0023474 k( 36) = ( 0.3058584 0.3382444 -0.0000000), wk = 0.0023474 k( 37) = ( 0.3145972 0.3479085 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3233360 0.3575727 -0.0000000), wk = 0.0023474 k( 39) = ( 0.3320748 0.3672368 -0.0000000), wk = 0.0023474 k( 40) = ( 0.3408136 0.3769009 -0.0000000), wk = 0.0023474 k( 41) = ( 0.3495524 0.3865651 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3582913 0.3962292 -0.0000000), wk = 0.0023474 k( 43) = ( 0.3670301 0.4058933 -0.0000000), wk = 0.0023474 k( 44) = ( 0.3757689 0.4155574 -0.0000000), wk = 0.0023474 k( 45) = ( 0.3845077 0.4252216 -0.0000000), wk = 0.0023474 k( 46) = ( 0.3932465 0.4348857 -0.0000000), wk = 0.0023474 k( 47) = ( 0.4019853 0.4445498 -0.0000000), wk = 0.0023474 k( 48) = ( 0.4107241 0.4542139 -0.0000000), wk = 0.0023474 k( 49) = ( 0.4194629 0.4638781 -0.0000000), wk = 0.0023474 k( 50) = ( 0.4282017 0.4735422 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4369405 0.4832063 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4456794 0.4928704 -0.0000000), wk = 0.0023474 k( 53) = ( 0.4544182 0.5025346 -0.0000000), wk = 0.0023474 k( 54) = ( 0.4544182 0.5025346 -0.0000000), wk = 0.0023474 k( 55) = ( 0.4414348 0.5025346 -0.0000000), wk = 0.0023474 k( 56) = ( 0.4284514 0.5025346 -0.0000000), wk = 0.0023474 k( 57) = ( 0.4154680 0.5025346 -0.0000000), wk = 0.0023474 k( 58) = ( 0.4024847 0.5025346 -0.0000000), wk = 0.0023474 k( 59) = ( 0.3895013 0.5025346 -0.0000000), wk = 0.0023474 k( 60) = ( 0.3765179 0.5025346 -0.0000000), wk = 0.0023474 k( 61) = ( 0.3635345 0.5025346 -0.0000000), wk = 0.0023474 k( 62) = ( 0.3505512 0.5025346 -0.0000000), wk = 0.0023474 k( 63) = ( 0.3375678 0.5025346 -0.0000000), wk = 0.0023474 k( 64) = ( 0.3245844 0.5025346 -0.0000000), wk = 0.0023474 k( 65) = ( 0.3116010 0.5025346 -0.0000000), wk = 0.0023474 k( 66) = ( 0.2986177 0.5025346 -0.0000000), wk = 0.0023474 k( 67) = ( 0.2856343 0.5025346 -0.0000000), wk = 0.0023474 k( 68) = ( 0.2726509 0.5025346 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2596675 0.5025346 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2466841 0.5025346 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2337008 0.5025346 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2207174 0.5025346 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2077340 0.5025346 -0.0000000), wk = 0.0023474 k( 74) = ( 0.1947506 0.5025346 -0.0000000), wk = 0.0023474 k( 75) = ( 0.1817673 0.5025346 -0.0000000), wk = 0.0023474 k( 76) = ( 0.1687839 0.5025346 -0.0000000), wk = 0.0023474 k( 77) = ( 0.1558005 0.5025346 -0.0000000), wk = 0.0023474 k( 78) = ( 0.1428171 0.5025346 -0.0000000), wk = 0.0023474 k( 79) = ( 0.1298338 0.5025346 -0.0000000), wk = 0.0023474 k( 80) = ( 0.1168504 0.5025346 -0.0000000), wk = 0.0023474 k( 81) = ( 0.1038670 0.5025346 -0.0000000), wk = 0.0023474 k( 82) = ( 0.0908836 0.5025346 -0.0000000), wk = 0.0023474 k( 83) = ( 0.0779003 0.5025346 -0.0000000), wk = 0.0023474 k( 84) = ( 0.0649169 0.5025346 -0.0000000), wk = 0.0023474 k( 85) = ( 0.0519335 0.5025346 -0.0000000), wk = 0.0023474 k( 86) = ( 0.0389501 0.5025346 -0.0000000), wk = 0.0023474 k( 87) = ( 0.0259668 0.5025346 -0.0000000), wk = 0.0023474 k( 88) = ( 0.0129834 0.5025346 -0.0000000), wk = 0.0023474 k( 89) = ( 0.0000000 0.5025346 -0.0000000), wk = 0.0023474 k( 90) = ( 0.0000000 0.5025346 -0.0000000), wk = 0.0023474 k( 91) = ( 0.0000000 0.5025346 0.0131017), wk = 0.0023474 k( 92) = ( 0.0000000 0.5025346 0.0262034), wk = 0.0023474 k( 93) = ( 0.0000000 0.5025346 0.0393052), wk = 0.0023474 k( 94) = ( 0.0000000 0.5025346 0.0524069), wk = 0.0023474 k( 95) = ( 0.0000000 0.5025346 0.0655086), wk = 0.0023474 k( 96) = ( 0.0000000 0.5025346 0.0786104), wk = 0.0023474 k( 97) = ( 0.0000000 0.5025346 0.0917121), wk = 0.0023474 k( 98) = ( 0.0000000 0.5025346 0.1048138), wk = 0.0023474 k( 99) = ( 0.0000000 0.5025346 0.1179155), wk = 0.0023474 k( 100) = ( 0.0000000 0.5025346 0.1310173), wk = 0.0023474 k( 101) = ( 0.0000000 0.5025346 0.1441190), wk = 0.0023474 k( 102) = ( 0.0000000 0.5025346 0.1572207), wk = 0.0023474 k( 103) = ( 0.0000000 0.5025346 0.1703224), wk = 0.0023474 k( 104) = ( 0.0000000 0.5025346 0.1834242), wk = 0.0023474 k( 105) = ( 0.0000000 0.5025346 0.1965259), wk = 0.0023474 k( 106) = ( 0.0000000 0.5025346 0.2096276), wk = 0.0023474 k( 107) = ( 0.0000000 0.5025346 0.2227293), wk = 0.0023474 k( 108) = ( 0.0000000 0.5025346 0.2358311), wk = 0.0023474 k( 109) = ( 0.0000000 0.5025346 0.2489328), wk = 0.0023474 k( 110) = ( 0.0000000 0.5025346 0.2620345), wk = 0.0023474 k( 111) = ( 0.0000000 0.5025346 0.2751362), wk = 0.0023474 k( 112) = ( 0.0000000 0.5025346 0.2882380), wk = 0.0023474 k( 113) = ( 0.0000000 0.5025346 0.3013397), wk = 0.0023474 k( 114) = ( 0.0000000 0.5025346 0.3144414), wk = 0.0023474 k( 115) = ( 0.0000000 0.5025346 0.3275431), wk = 0.0023474 k( 116) = ( 0.0000000 0.5025346 0.3406449), wk = 0.0023474 k( 117) = ( 0.0000000 0.5025346 0.3537466), wk = 0.0023474 k( 118) = ( 0.0000000 0.5025346 0.3668483), wk = 0.0023474 k( 119) = ( 0.0000000 0.5025346 0.3799500), wk = 0.0023474 k( 120) = ( 0.0000000 0.5025346 0.3930518), wk = 0.0023474 k( 121) = ( 0.0000000 0.5025346 0.4061535), wk = 0.0023474 k( 122) = ( 0.0000000 0.5025346 0.4061535), wk = 0.0023474 k( 123) = ( 0.0129834 0.5025346 0.4061535), wk = 0.0023474 k( 124) = ( 0.0259668 0.5025346 0.4061535), wk = 0.0023474 k( 125) = ( 0.0389501 0.5025346 0.4061535), wk = 0.0023474 k( 126) = ( 0.0519335 0.5025346 0.4061535), wk = 0.0023474 k( 127) = ( 0.0649169 0.5025346 0.4061535), wk = 0.0023474 k( 128) = ( 0.0779003 0.5025346 0.4061535), wk = 0.0023474 k( 129) = ( 0.0908836 0.5025346 0.4061535), wk = 0.0023474 k( 130) = ( 0.1038670 0.5025346 0.4061535), wk = 0.0023474 k( 131) = ( 0.1168504 0.5025346 0.4061535), wk = 0.0023474 k( 132) = ( 0.1298338 0.5025346 0.4061535), wk = 0.0023474 k( 133) = ( 0.1428171 0.5025346 0.4061535), wk = 0.0023474 k( 134) = ( 0.1558005 0.5025346 0.4061535), wk = 0.0023474 k( 135) = ( 0.1687839 0.5025346 0.4061535), wk = 0.0023474 k( 136) = ( 0.1817673 0.5025346 0.4061535), wk = 0.0023474 k( 137) = ( 0.1947506 0.5025346 0.4061535), wk = 0.0023474 k( 138) = ( 0.2077340 0.5025346 0.4061535), wk = 0.0023474 k( 139) = ( 0.2207174 0.5025346 0.4061535), wk = 0.0023474 k( 140) = ( 0.2337008 0.5025346 0.4061535), wk = 0.0023474 k( 141) = ( 0.2466841 0.5025346 0.4061535), wk = 0.0023474 k( 142) = ( 0.2596675 0.5025346 0.4061535), wk = 0.0023474 k( 143) = ( 0.2726509 0.5025346 0.4061535), wk = 0.0023474 k( 144) = ( 0.2856343 0.5025346 0.4061535), wk = 0.0023474 k( 145) = ( 0.2986177 0.5025346 0.4061535), wk = 0.0023474 k( 146) = ( 0.3116010 0.5025346 0.4061535), wk = 0.0023474 k( 147) = ( 0.3245844 0.5025346 0.4061535), wk = 0.0023474 k( 148) = ( 0.3375678 0.5025346 0.4061535), wk = 0.0023474 k( 149) = ( 0.3505512 0.5025346 0.4061535), wk = 0.0023474 k( 150) = ( 0.3635345 0.5025346 0.4061535), wk = 0.0023474 k( 151) = ( 0.3765179 0.5025346 0.4061535), wk = 0.0023474 k( 152) = ( 0.3895013 0.5025346 0.4061535), wk = 0.0023474 k( 153) = ( 0.4024847 0.5025346 0.4061535), wk = 0.0023474 k( 154) = ( 0.4154680 0.5025346 0.4061535), wk = 0.0023474 k( 155) = ( 0.4284514 0.5025346 0.4061535), wk = 0.0023474 k( 156) = ( 0.4414348 0.5025346 0.4061535), wk = 0.0023474 k( 157) = ( 0.4544182 0.5025346 0.4061535), wk = 0.0023474 k( 158) = ( 0.4544182 0.5025346 0.4061535), wk = 0.0023474 k( 159) = ( 0.4456794 0.4928704 0.4061535), wk = 0.0023474 k( 160) = ( 0.4369405 0.4832063 0.4061535), wk = 0.0023474 k( 161) = ( 0.4282017 0.4735422 0.4061535), wk = 0.0023474 k( 162) = ( 0.4194629 0.4638781 0.4061535), wk = 0.0023474 k( 163) = ( 0.4107241 0.4542139 0.4061535), wk = 0.0023474 k( 164) = ( 0.4019853 0.4445498 0.4061535), wk = 0.0023474 k( 165) = ( 0.3932465 0.4348857 0.4061535), wk = 0.0023474 k( 166) = ( 0.3845077 0.4252216 0.4061535), wk = 0.0023474 k( 167) = ( 0.3757689 0.4155574 0.4061535), wk = 0.0023474 k( 168) = ( 0.3670301 0.4058933 0.4061535), wk = 0.0023474 k( 169) = ( 0.3582913 0.3962292 0.4061535), wk = 0.0023474 k( 170) = ( 0.3495524 0.3865651 0.4061535), wk = 0.0023474 k( 171) = ( 0.3408136 0.3769009 0.4061535), wk = 0.0023474 k( 172) = ( 0.3320748 0.3672368 0.4061535), wk = 0.0023474 k( 173) = ( 0.3233360 0.3575727 0.4061535), wk = 0.0023474 k( 174) = ( 0.3145972 0.3479085 0.4061535), wk = 0.0023474 k( 175) = ( 0.3058584 0.3382444 0.4061535), wk = 0.0023474 k( 176) = ( 0.2971196 0.3285803 0.4061535), wk = 0.0023474 k( 177) = ( 0.2883808 0.3189162 0.4061535), wk = 0.0023474 k( 178) = ( 0.2796419 0.3092520 0.4061535), wk = 0.0023474 k( 179) = ( 0.2709031 0.2995879 0.4061535), wk = 0.0023474 k( 180) = ( 0.2621643 0.2899238 0.4061535), wk = 0.0023474 k( 181) = ( 0.2534255 0.2802597 0.4061535), wk = 0.0023474 k( 182) = ( 0.2446867 0.2705955 0.4061535), wk = 0.0023474 k( 183) = ( 0.2359479 0.2609314 0.4061535), wk = 0.0023474 k( 184) = ( 0.2272091 0.2512673 0.4061535), wk = 0.0023474 k( 185) = ( 0.2184703 0.2416032 0.4061535), wk = 0.0023474 k( 186) = ( 0.2097315 0.2319390 0.4061535), wk = 0.0023474 k( 187) = ( 0.2009926 0.2222749 0.4061535), wk = 0.0023474 k( 188) = ( 0.1922538 0.2126108 0.4061535), wk = 0.0023474 k( 189) = ( 0.1835150 0.2029467 0.4061535), wk = 0.0023474 k( 190) = ( 0.1747762 0.1932825 0.4061535), wk = 0.0023474 k( 191) = ( 0.1660374 0.1836184 0.4061535), wk = 0.0023474 k( 192) = ( 0.1572986 0.1739543 0.4061535), wk = 0.0023474 k( 193) = ( 0.1485598 0.1642902 0.4061535), wk = 0.0023474 k( 194) = ( 0.1398210 0.1546260 0.4061535), wk = 0.0023474 k( 195) = ( 0.1310822 0.1449619 0.4061535), wk = 0.0023474 k( 196) = ( 0.1223434 0.1352978 0.4061535), wk = 0.0023474 k( 197) = ( 0.1136045 0.1256336 0.4061535), wk = 0.0023474 k( 198) = ( 0.1048657 0.1159695 0.4061535), wk = 0.0023474 k( 199) = ( 0.0961269 0.1063054 0.4061535), wk = 0.0023474 k( 200) = ( 0.0873881 0.0966413 0.4061535), wk = 0.0023474 k( 201) = ( 0.0786493 0.0869771 0.4061535), wk = 0.0023474 k( 202) = ( 0.0699105 0.0773130 0.4061535), wk = 0.0023474 k( 203) = ( 0.0611717 0.0676489 0.4061535), wk = 0.0023474 k( 204) = ( 0.0524329 0.0579848 0.4061535), wk = 0.0023474 k( 205) = ( 0.0436940 0.0483206 0.4061535), wk = 0.0023474 k( 206) = ( 0.0349552 0.0386565 0.4061535), wk = 0.0023474 k( 207) = ( 0.0262164 0.0289924 0.4061535), wk = 0.0023474 k( 208) = ( 0.0174776 0.0193283 0.4061535), wk = 0.0023474 k( 209) = ( 0.0087388 0.0096641 0.4061535), wk = 0.0023474 k( 210) = ( 0.0000000 0.0000000 0.4061535), wk = 0.0023474 k( 211) = ( 0.0000000 0.0000000 0.4061535), wk = 0.0023474 k( 212) = ( 0.0000000 0.0000000 0.3930518), wk = 0.0023474 k( 213) = ( 0.0000000 0.0000000 0.3799500), wk = 0.0023474 k( 214) = ( 0.0000000 0.0000000 0.3668483), wk = 0.0023474 k( 215) = ( 0.0000000 0.0000000 0.3537466), wk = 0.0023474 k( 216) = ( 0.0000000 0.0000000 0.3406449), wk = 0.0023474 k( 217) = ( 0.0000000 0.0000000 0.3275431), wk = 0.0023474 k( 218) = ( 0.0000000 0.0000000 0.3144414), wk = 0.0023474 k( 219) = ( 0.0000000 0.0000000 0.3013397), wk = 0.0023474 k( 220) = ( 0.0000000 0.0000000 0.2882380), wk = 0.0023474 k( 221) = ( 0.0000000 0.0000000 0.2751362), wk = 0.0023474 k( 222) = ( 0.0000000 0.0000000 0.2620345), wk = 0.0023474 k( 223) = ( 0.0000000 0.0000000 0.2489328), wk = 0.0023474 k( 224) = ( 0.0000000 0.0000000 0.2358311), wk = 0.0023474 k( 225) = ( 0.0000000 0.0000000 0.2227293), wk = 0.0023474 k( 226) = ( 0.0000000 0.0000000 0.2096276), wk = 0.0023474 k( 227) = ( 0.0000000 0.0000000 0.1965259), wk = 0.0023474 k( 228) = ( 0.0000000 0.0000000 0.1834242), wk = 0.0023474 k( 229) = ( 0.0000000 0.0000000 0.1703224), wk = 0.0023474 k( 230) = ( 0.0000000 0.0000000 0.1572207), wk = 0.0023474 k( 231) = ( 0.0000000 0.0000000 0.1441190), wk = 0.0023474 k( 232) = ( 0.0000000 0.0000000 0.1310173), wk = 0.0023474 k( 233) = ( 0.0000000 0.0000000 0.1179155), wk = 0.0023474 k( 234) = ( 0.0000000 0.0000000 0.1048138), wk = 0.0023474 k( 235) = ( 0.0000000 0.0000000 0.0917121), wk = 0.0023474 k( 236) = ( 0.0000000 0.0000000 0.0786104), wk = 0.0023474 k( 237) = ( 0.0000000 0.0000000 0.0655086), wk = 0.0023474 k( 238) = ( 0.0000000 0.0000000 0.0524069), wk = 0.0023474 k( 239) = ( 0.0000000 0.0000000 0.0393052), wk = 0.0023474 k( 240) = ( 0.0000000 0.0000000 0.0262034), wk = 0.0023474 k( 241) = ( 0.0000000 0.0000000 0.0131017), wk = 0.0023474 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 244) = ( -0.0096154 0.0086947 0.0000000), wk = 0.0023474 k( 245) = ( -0.0192308 0.0173895 0.0000000), wk = 0.0023474 k( 246) = ( -0.0288462 0.0260842 0.0000000), wk = 0.0023474 k( 247) = ( -0.0384615 0.0347789 0.0000000), wk = 0.0023474 k( 248) = ( -0.0480769 0.0434737 0.0000000), wk = 0.0023474 k( 249) = ( -0.0576923 0.0521684 0.0000000), wk = 0.0023474 k( 250) = ( -0.0673077 0.0608632 0.0000000), wk = 0.0023474 k( 251) = ( -0.0769231 0.0695579 0.0000000), wk = 0.0023474 k( 252) = ( -0.0865385 0.0782526 0.0000000), wk = 0.0023474 k( 253) = ( -0.0961538 0.0869474 0.0000000), wk = 0.0023474 k( 254) = ( -0.1057692 0.0956421 0.0000000), wk = 0.0023474 k( 255) = ( -0.1153846 0.1043368 0.0000000), wk = 0.0023474 k( 256) = ( -0.1250000 0.1130316 0.0000000), wk = 0.0023474 k( 257) = ( -0.1346154 0.1217263 0.0000000), wk = 0.0023474 k( 258) = ( -0.1442308 0.1304210 0.0000000), wk = 0.0023474 k( 259) = ( -0.1538461 0.1391158 0.0000000), wk = 0.0023474 k( 260) = ( -0.1634615 0.1478105 0.0000000), wk = 0.0023474 k( 261) = ( -0.1730769 0.1565052 0.0000000), wk = 0.0023474 k( 262) = ( -0.1826923 0.1652000 0.0000000), wk = 0.0023474 k( 263) = ( -0.1923077 0.1738947 0.0000000), wk = 0.0023474 k( 264) = ( -0.2019231 0.1825895 0.0000000), wk = 0.0023474 k( 265) = ( -0.2115385 0.1912842 0.0000000), wk = 0.0023474 k( 266) = ( -0.2211539 0.1999789 0.0000000), wk = 0.0023474 k( 267) = ( -0.2307692 0.2086737 0.0000000), wk = 0.0023474 k( 268) = ( -0.2403846 0.2173684 0.0000000), wk = 0.0023474 k( 269) = ( -0.2500000 0.2260631 0.0000000), wk = 0.0023474 k( 270) = ( -0.2596154 0.2347579 0.0000000), wk = 0.0023474 k( 271) = ( -0.2692308 0.2434526 0.0000000), wk = 0.0023474 k( 272) = ( -0.2788462 0.2521473 0.0000000), wk = 0.0023474 k( 273) = ( -0.2884615 0.2608421 0.0000000), wk = 0.0023474 k( 274) = ( -0.2980769 0.2695368 0.0000000), wk = 0.0023474 k( 275) = ( -0.3076923 0.2782316 0.0000000), wk = 0.0023474 k( 276) = ( -0.3173077 0.2869263 0.0000000), wk = 0.0023474 k( 277) = ( -0.3269231 0.2956210 0.0000000), wk = 0.0023474 k( 278) = ( -0.3365385 0.3043158 0.0000000), wk = 0.0023474 k( 279) = ( -0.3461538 0.3130105 0.0000000), wk = 0.0023474 k( 280) = ( -0.3557692 0.3217052 0.0000000), wk = 0.0023474 k( 281) = ( -0.3653846 0.3304000 0.0000000), wk = 0.0023474 k( 282) = ( -0.3750000 0.3390947 0.0000000), wk = 0.0023474 k( 283) = ( -0.3846154 0.3477894 0.0000000), wk = 0.0023474 k( 284) = ( -0.3942308 0.3564842 0.0000000), wk = 0.0023474 k( 285) = ( -0.4038462 0.3651789 0.0000000), wk = 0.0023474 k( 286) = ( -0.4134615 0.3738737 0.0000000), wk = 0.0023474 k( 287) = ( -0.4230769 0.3825684 0.0000000), wk = 0.0023474 k( 288) = ( -0.4326923 0.3912631 0.0000000), wk = 0.0023474 k( 289) = ( -0.4423077 0.3999579 0.0000000), wk = 0.0023474 k( 290) = ( -0.4519231 0.4086526 0.0000000), wk = 0.0023474 k( 291) = ( -0.4615385 0.4173473 0.0000000), wk = 0.0023474 k( 292) = ( -0.4711538 0.4260421 0.0000000), wk = 0.0023474 k( 293) = ( -0.4807692 0.4347368 0.0000000), wk = 0.0023474 k( 294) = ( -0.4903846 0.4434315 0.0000000), wk = 0.0023474 k( 295) = ( -0.5000000 0.4521263 0.0000000), wk = 0.0023474 k( 296) = ( -0.5000000 0.4521263 0.0000000), wk = 0.0023474 k( 297) = ( -0.4924030 0.4605277 -0.0000000), wk = 0.0023474 k( 298) = ( -0.4848061 0.4689290 -0.0000000), wk = 0.0023474 k( 299) = ( -0.4772091 0.4773304 -0.0000000), wk = 0.0023474 k( 300) = ( -0.4696121 0.4857318 -0.0000000), wk = 0.0023474 k( 301) = ( -0.4620151 0.4941332 -0.0000000), wk = 0.0023474 k( 302) = ( -0.4544182 0.5025346 -0.0000000), wk = 0.0023474 k( 303) = ( -0.4544182 0.5025346 -0.0000000), wk = 0.0023474 k( 304) = ( -0.4544182 0.5025346 0.0131017), wk = 0.0023474 k( 305) = ( -0.4544182 0.5025346 0.0262034), wk = 0.0023474 k( 306) = ( -0.4544182 0.5025346 0.0393052), wk = 0.0023474 k( 307) = ( -0.4544182 0.5025346 0.0524069), wk = 0.0023474 k( 308) = ( -0.4544182 0.5025346 0.0655086), wk = 0.0023474 k( 309) = ( -0.4544182 0.5025346 0.0786104), wk = 0.0023474 k( 310) = ( -0.4544182 0.5025346 0.0917121), wk = 0.0023474 k( 311) = ( -0.4544182 0.5025346 0.1048138), wk = 0.0023474 k( 312) = ( -0.4544182 0.5025346 0.1179155), wk = 0.0023474 k( 313) = ( -0.4544182 0.5025346 0.1310173), wk = 0.0023474 k( 314) = ( -0.4544182 0.5025346 0.1441190), wk = 0.0023474 k( 315) = ( -0.4544182 0.5025346 0.1572207), wk = 0.0023474 k( 316) = ( -0.4544182 0.5025346 0.1703224), wk = 0.0023474 k( 317) = ( -0.4544182 0.5025346 0.1834242), wk = 0.0023474 k( 318) = ( -0.4544182 0.5025346 0.1965259), wk = 0.0023474 k( 319) = ( -0.4544182 0.5025346 0.2096276), wk = 0.0023474 k( 320) = ( -0.4544182 0.5025346 0.2227293), wk = 0.0023474 k( 321) = ( -0.4544182 0.5025346 0.2358311), wk = 0.0023474 k( 322) = ( -0.4544182 0.5025346 0.2489328), wk = 0.0023474 k( 323) = ( -0.4544182 0.5025346 0.2620345), wk = 0.0023474 k( 324) = ( -0.4544182 0.5025346 0.2751362), wk = 0.0023474 k( 325) = ( -0.4544182 0.5025346 0.2882380), wk = 0.0023474 k( 326) = ( -0.4544182 0.5025346 0.3013397), wk = 0.0023474 k( 327) = ( -0.4544182 0.5025346 0.3144414), wk = 0.0023474 k( 328) = ( -0.4544182 0.5025346 0.3275431), wk = 0.0023474 k( 329) = ( -0.4544182 0.5025346 0.3406449), wk = 0.0023474 k( 330) = ( -0.4544182 0.5025346 0.3537466), wk = 0.0023474 k( 331) = ( -0.4544182 0.5025346 0.3668483), wk = 0.0023474 k( 332) = ( -0.4544182 0.5025346 0.3799500), wk = 0.0023474 k( 333) = ( -0.4544182 0.5025346 0.3930518), wk = 0.0023474 k( 334) = ( -0.4544182 0.5025346 0.4061535), wk = 0.0023474 k( 335) = ( -0.4544182 0.5025346 0.4061535), wk = 0.0023474 k( 336) = ( -0.4620151 0.4941332 0.4061535), wk = 0.0023474 k( 337) = ( -0.4696121 0.4857318 0.4061535), wk = 0.0023474 k( 338) = ( -0.4772091 0.4773304 0.4061535), wk = 0.0023474 k( 339) = ( -0.4848061 0.4689290 0.4061535), wk = 0.0023474 k( 340) = ( -0.4924030 0.4605277 0.4061535), wk = 0.0023474 k( 341) = ( -0.5000000 0.4521263 0.4061535), wk = 0.0023474 k( 342) = ( -0.5000000 0.4521263 0.4061535), wk = 0.0023474 k( 343) = ( -0.5000000 0.4521263 0.3930518), wk = 0.0023474 k( 344) = ( -0.5000000 0.4521263 0.3799500), wk = 0.0023474 k( 345) = ( -0.5000000 0.4521263 0.3668483), wk = 0.0023474 k( 346) = ( -0.5000000 0.4521263 0.3537466), wk = 0.0023474 k( 347) = ( -0.5000000 0.4521263 0.3406449), wk = 0.0023474 k( 348) = ( -0.5000000 0.4521263 0.3275431), wk = 0.0023474 k( 349) = ( -0.5000000 0.4521263 0.3144414), wk = 0.0023474 k( 350) = ( -0.5000000 0.4521263 0.3013397), wk = 0.0023474 k( 351) = ( -0.5000000 0.4521263 0.2882380), wk = 0.0023474 k( 352) = ( -0.5000000 0.4521263 0.2751362), wk = 0.0023474 k( 353) = ( -0.5000000 0.4521263 0.2620345), wk = 0.0023474 k( 354) = ( -0.5000000 0.4521263 0.2489328), wk = 0.0023474 k( 355) = ( -0.5000000 0.4521263 0.2358311), wk = 0.0023474 k( 356) = ( -0.5000000 0.4521263 0.2227293), wk = 0.0023474 k( 357) = ( -0.5000000 0.4521263 0.2096276), wk = 0.0023474 k( 358) = ( -0.5000000 0.4521263 0.1965259), wk = 0.0023474 k( 359) = ( -0.5000000 0.4521263 0.1834242), wk = 0.0023474 k( 360) = ( -0.5000000 0.4521263 0.1703224), wk = 0.0023474 k( 361) = ( -0.5000000 0.4521263 0.1572207), wk = 0.0023474 k( 362) = ( -0.5000000 0.4521263 0.1441190), wk = 0.0023474 k( 363) = ( -0.5000000 0.4521263 0.1310173), wk = 0.0023474 k( 364) = ( -0.5000000 0.4521263 0.1179155), wk = 0.0023474 k( 365) = ( -0.5000000 0.4521263 0.1048138), wk = 0.0023474 k( 366) = ( -0.5000000 0.4521263 0.0917121), wk = 0.0023474 k( 367) = ( -0.5000000 0.4521263 0.0786104), wk = 0.0023474 k( 368) = ( -0.5000000 0.4521263 0.0655086), wk = 0.0023474 k( 369) = ( -0.5000000 0.4521263 0.0524069), wk = 0.0023474 k( 370) = ( -0.5000000 0.4521263 0.0393052), wk = 0.0023474 k( 371) = ( -0.5000000 0.4521263 0.0262034), wk = 0.0023474 k( 372) = ( -0.5000000 0.4521263 0.0131017), wk = 0.0023474 k( 373) = ( -0.5000000 0.4521263 0.0000000), wk = 0.0023474 k( 374) = ( 0.0000000 0.0000000 0.4061535), wk = 0.0023474 k( 375) = ( -0.0096154 0.0086947 0.4061535), wk = 0.0023474 k( 376) = ( -0.0192308 0.0173895 0.4061535), wk = 0.0023474 k( 377) = ( -0.0288462 0.0260842 0.4061535), wk = 0.0023474 k( 378) = ( -0.0384615 0.0347789 0.4061535), wk = 0.0023474 k( 379) = ( -0.0480769 0.0434737 0.4061535), wk = 0.0023474 k( 380) = ( -0.0576923 0.0521684 0.4061535), wk = 0.0023474 k( 381) = ( -0.0673077 0.0608632 0.4061535), wk = 0.0023474 k( 382) = ( -0.0769231 0.0695579 0.4061535), wk = 0.0023474 k( 383) = ( -0.0865385 0.0782526 0.4061535), wk = 0.0023474 k( 384) = ( -0.0961538 0.0869474 0.4061535), wk = 0.0023474 k( 385) = ( -0.1057692 0.0956421 0.4061535), wk = 0.0023474 k( 386) = ( -0.1153846 0.1043368 0.4061535), wk = 0.0023474 k( 387) = ( -0.1250000 0.1130316 0.4061535), wk = 0.0023474 k( 388) = ( -0.1346154 0.1217263 0.4061535), wk = 0.0023474 k( 389) = ( -0.1442308 0.1304210 0.4061535), wk = 0.0023474 k( 390) = ( -0.1538461 0.1391158 0.4061535), wk = 0.0023474 k( 391) = ( -0.1634615 0.1478105 0.4061535), wk = 0.0023474 k( 392) = ( -0.1730769 0.1565052 0.4061535), wk = 0.0023474 k( 393) = ( -0.1826923 0.1652000 0.4061535), wk = 0.0023474 k( 394) = ( -0.1923077 0.1738947 0.4061535), wk = 0.0023474 k( 395) = ( -0.2019231 0.1825895 0.4061535), wk = 0.0023474 k( 396) = ( -0.2115385 0.1912842 0.4061535), wk = 0.0023474 k( 397) = ( -0.2211539 0.1999789 0.4061535), wk = 0.0023474 k( 398) = ( -0.2307692 0.2086737 0.4061535), wk = 0.0023474 k( 399) = ( -0.2403846 0.2173684 0.4061535), wk = 0.0023474 k( 400) = ( -0.2500000 0.2260631 0.4061535), wk = 0.0023474 k( 401) = ( -0.2596154 0.2347579 0.4061535), wk = 0.0023474 k( 402) = ( -0.2692308 0.2434526 0.4061535), wk = 0.0023474 k( 403) = ( -0.2788462 0.2521473 0.4061535), wk = 0.0023474 k( 404) = ( -0.2884615 0.2608421 0.4061535), wk = 0.0023474 k( 405) = ( -0.2980769 0.2695368 0.4061535), wk = 0.0023474 k( 406) = ( -0.3076923 0.2782316 0.4061535), wk = 0.0023474 k( 407) = ( -0.3173077 0.2869263 0.4061535), wk = 0.0023474 k( 408) = ( -0.3269231 0.2956210 0.4061535), wk = 0.0023474 k( 409) = ( -0.3365385 0.3043158 0.4061535), wk = 0.0023474 k( 410) = ( -0.3461538 0.3130105 0.4061535), wk = 0.0023474 k( 411) = ( -0.3557692 0.3217052 0.4061535), wk = 0.0023474 k( 412) = ( -0.3653846 0.3304000 0.4061535), wk = 0.0023474 k( 413) = ( -0.3750000 0.3390947 0.4061535), wk = 0.0023474 k( 414) = ( -0.3846154 0.3477894 0.4061535), wk = 0.0023474 k( 415) = ( -0.3942308 0.3564842 0.4061535), wk = 0.0023474 k( 416) = ( -0.4038462 0.3651789 0.4061535), wk = 0.0023474 k( 417) = ( -0.4134615 0.3738737 0.4061535), wk = 0.0023474 k( 418) = ( -0.4230769 0.3825684 0.4061535), wk = 0.0023474 k( 419) = ( -0.4326923 0.3912631 0.4061535), wk = 0.0023474 k( 420) = ( -0.4423077 0.3999579 0.4061535), wk = 0.0023474 k( 421) = ( -0.4519231 0.4086526 0.4061535), wk = 0.0023474 k( 422) = ( -0.4615385 0.4173473 0.4061535), wk = 0.0023474 k( 423) = ( -0.4711538 0.4260421 0.4061535), wk = 0.0023474 k( 424) = ( -0.4807692 0.4347368 0.4061535), wk = 0.0023474 k( 425) = ( -0.4903846 0.4434315 0.4061535), wk = 0.0023474 k( 426) = ( -0.5000000 0.4521263 0.4061535), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0087388 0.0087388 0.0000000), wk = 0.0023474 k( 3) = ( 0.0174776 0.0174776 0.0000000), wk = 0.0023474 k( 4) = ( 0.0262164 0.0262164 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0349552 0.0349552 0.0000000), wk = 0.0023474 k( 6) = ( 0.0436940 0.0436940 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0524329 0.0524329 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0611717 0.0611717 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0699105 0.0699105 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0786493 0.0786493 0.0000000), wk = 0.0023474 k( 11) = ( 0.0873881 0.0873881 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0961269 0.0961269 0.0000000), wk = 0.0023474 k( 13) = ( 0.1048657 0.1048657 -0.0000000), wk = 0.0023474 k( 14) = ( 0.1136045 0.1136045 -0.0000000), wk = 0.0023474 k( 15) = ( 0.1223434 0.1223433 -0.0000000), wk = 0.0023474 k( 16) = ( 0.1310822 0.1310822 -0.0000000), wk = 0.0023474 k( 17) = ( 0.1398210 0.1398210 -0.0000000), wk = 0.0023474 k( 18) = ( 0.1485598 0.1485598 -0.0000000), wk = 0.0023474 k( 19) = ( 0.1572986 0.1572986 0.0000000), wk = 0.0023474 k( 20) = ( 0.1660374 0.1660374 -0.0000000), wk = 0.0023474 k( 21) = ( 0.1747762 0.1747762 -0.0000000), wk = 0.0023474 k( 22) = ( 0.1835150 0.1835150 0.0000000), wk = 0.0023474 k( 23) = ( 0.1922538 0.1922538 0.0000000), wk = 0.0023474 k( 24) = ( 0.2009926 0.2009926 -0.0000000), wk = 0.0023474 k( 25) = ( 0.2097315 0.2097315 -0.0000000), wk = 0.0023474 k( 26) = ( 0.2184703 0.2184703 0.0000000), wk = 0.0023474 k( 27) = ( 0.2272091 0.2272091 -0.0000000), wk = 0.0023474 k( 28) = ( 0.2359479 0.2359479 -0.0000000), wk = 0.0023474 k( 29) = ( 0.2446867 0.2446867 -0.0000000), wk = 0.0023474 k( 30) = ( 0.2534255 0.2534255 0.0000000), wk = 0.0023474 k( 31) = ( 0.2621643 0.2621643 -0.0000000), wk = 0.0023474 k( 32) = ( 0.2709031 0.2709031 -0.0000000), wk = 0.0023474 k( 33) = ( 0.2796419 0.2796419 -0.0000000), wk = 0.0023474 k( 34) = ( 0.2883808 0.2883808 -0.0000000), wk = 0.0023474 k( 35) = ( 0.2971196 0.2971196 0.0000000), wk = 0.0023474 k( 36) = ( 0.3058584 0.3058584 -0.0000000), wk = 0.0023474 k( 37) = ( 0.3145972 0.3145972 -0.0000000), wk = 0.0023474 k( 38) = ( 0.3233360 0.3233360 -0.0000000), wk = 0.0023474 k( 39) = ( 0.3320748 0.3320748 -0.0000000), wk = 0.0023474 k( 40) = ( 0.3408136 0.3408136 0.0000000), wk = 0.0023474 k( 41) = ( 0.3495524 0.3495524 -0.0000000), wk = 0.0023474 k( 42) = ( 0.3582913 0.3582912 -0.0000000), wk = 0.0023474 k( 43) = ( 0.3670301 0.3670301 0.0000000), wk = 0.0023474 k( 44) = ( 0.3757689 0.3757689 -0.0000000), wk = 0.0023474 k( 45) = ( 0.3845077 0.3845077 0.0000000), wk = 0.0023474 k( 46) = ( 0.3932465 0.3932465 -0.0000000), wk = 0.0023474 k( 47) = ( 0.4019853 0.4019853 -0.0000000), wk = 0.0023474 k( 48) = ( 0.4107241 0.4107241 0.0000000), wk = 0.0023474 k( 49) = ( 0.4194629 0.4194629 -0.0000000), wk = 0.0023474 k( 50) = ( 0.4282017 0.4282017 -0.0000000), wk = 0.0023474 k( 51) = ( 0.4369405 0.4369405 -0.0000000), wk = 0.0023474 k( 52) = ( 0.4456794 0.4456794 -0.0000000), wk = 0.0023474 k( 53) = ( 0.4544182 0.4544182 -0.0000000), wk = 0.0023474 k( 54) = ( 0.4544182 0.4544182 -0.0000000), wk = 0.0023474 k( 55) = ( 0.4414348 0.4557205 -0.0000000), wk = 0.0023474 k( 56) = ( 0.4284514 0.4570228 -0.0000000), wk = 0.0023474 k( 57) = ( 0.4154680 0.4583252 0.0000000), wk = 0.0023474 k( 58) = ( 0.4024847 0.4596275 -0.0000000), wk = 0.0023474 k( 59) = ( 0.3895013 0.4609299 -0.0000000), wk = 0.0023474 k( 60) = ( 0.3765179 0.4622322 0.0000000), wk = 0.0023474 k( 61) = ( 0.3635345 0.4635345 -0.0000000), wk = 0.0023474 k( 62) = ( 0.3505512 0.4648369 0.0000000), wk = 0.0023474 k( 63) = ( 0.3375678 0.4661392 -0.0000000), wk = 0.0023474 k( 64) = ( 0.3245844 0.4674416 -0.0000000), wk = 0.0023474 k( 65) = ( 0.3116010 0.4687439 0.0000000), wk = 0.0023474 k( 66) = ( 0.2986177 0.4700462 -0.0000000), wk = 0.0023474 k( 67) = ( 0.2856343 0.4713486 -0.0000000), wk = 0.0023474 k( 68) = ( 0.2726509 0.4726509 0.0000000), wk = 0.0023474 k( 69) = ( 0.2596675 0.4739532 0.0000000), wk = 0.0023474 k( 70) = ( 0.2466841 0.4752556 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2337008 0.4765579 0.0000000), wk = 0.0023474 k( 72) = ( 0.2207174 0.4778602 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2077340 0.4791626 0.0000000), wk = 0.0023474 k( 74) = ( 0.1947506 0.4804649 -0.0000000), wk = 0.0023474 k( 75) = ( 0.1817673 0.4817673 -0.0000000), wk = 0.0023474 k( 76) = ( 0.1687839 0.4830696 -0.0000000), wk = 0.0023474 k( 77) = ( 0.1558005 0.4843719 -0.0000000), wk = 0.0023474 k( 78) = ( 0.1428171 0.4856743 -0.0000000), wk = 0.0023474 k( 79) = ( 0.1298338 0.4869766 -0.0000000), wk = 0.0023474 k( 80) = ( 0.1168504 0.4882790 0.0000000), wk = 0.0023474 k( 81) = ( 0.1038670 0.4895813 0.0000000), wk = 0.0023474 k( 82) = ( 0.0908836 0.4908836 -0.0000000), wk = 0.0023474 k( 83) = ( 0.0779003 0.4921860 -0.0000000), wk = 0.0023474 k( 84) = ( 0.0649169 0.4934883 -0.0000000), wk = 0.0023474 k( 85) = ( 0.0519335 0.4947906 -0.0000000), wk = 0.0023474 k( 86) = ( 0.0389501 0.4960930 -0.0000000), wk = 0.0023474 k( 87) = ( 0.0259668 0.4973953 -0.0000000), wk = 0.0023474 k( 88) = ( 0.0129834 0.4986977 0.0000000), wk = 0.0023474 k( 89) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 90) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 91) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0023474 k( 92) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0023474 k( 93) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0023474 k( 94) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0023474 k( 95) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0023474 k( 96) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0023474 k( 97) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0023474 k( 98) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0023474 k( 99) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0023474 k( 100) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0023474 k( 101) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0023474 k( 102) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0023474 k( 103) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0023474 k( 104) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0023474 k( 105) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0023474 k( 106) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0023474 k( 107) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0023474 k( 108) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0023474 k( 109) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0023474 k( 110) = ( 0.0000000 0.5000000 0.3225806), wk = 0.0023474 k( 111) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0023474 k( 112) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0023474 k( 113) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0023474 k( 114) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0023474 k( 115) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0023474 k( 116) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0023474 k( 117) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0023474 k( 118) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0023474 k( 119) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0023474 k( 120) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0023474 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 122) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 123) = ( 0.0129834 0.4986977 0.5000000), wk = 0.0023474 k( 124) = ( 0.0259668 0.4973953 0.5000000), wk = 0.0023474 k( 125) = ( 0.0389501 0.4960930 0.5000000), wk = 0.0023474 k( 126) = ( 0.0519335 0.4947906 0.5000000), wk = 0.0023474 k( 127) = ( 0.0649169 0.4934883 0.5000000), wk = 0.0023474 k( 128) = ( 0.0779003 0.4921860 0.5000000), wk = 0.0023474 k( 129) = ( 0.0908836 0.4908836 0.5000000), wk = 0.0023474 k( 130) = ( 0.1038670 0.4895813 0.5000000), wk = 0.0023474 k( 131) = ( 0.1168504 0.4882790 0.5000000), wk = 0.0023474 k( 132) = ( 0.1298338 0.4869766 0.5000000), wk = 0.0023474 k( 133) = ( 0.1428171 0.4856743 0.5000000), wk = 0.0023474 k( 134) = ( 0.1558005 0.4843719 0.5000000), wk = 0.0023474 k( 135) = ( 0.1687839 0.4830696 0.5000000), wk = 0.0023474 k( 136) = ( 0.1817673 0.4817673 0.5000000), wk = 0.0023474 k( 137) = ( 0.1947506 0.4804649 0.5000000), wk = 0.0023474 k( 138) = ( 0.2077340 0.4791626 0.5000000), wk = 0.0023474 k( 139) = ( 0.2207174 0.4778602 0.5000000), wk = 0.0023474 k( 140) = ( 0.2337008 0.4765579 0.5000000), wk = 0.0023474 k( 141) = ( 0.2466841 0.4752556 0.5000000), wk = 0.0023474 k( 142) = ( 0.2596675 0.4739532 0.5000000), wk = 0.0023474 k( 143) = ( 0.2726509 0.4726509 0.5000000), wk = 0.0023474 k( 144) = ( 0.2856343 0.4713486 0.5000000), wk = 0.0023474 k( 145) = ( 0.2986177 0.4700462 0.5000000), wk = 0.0023474 k( 146) = ( 0.3116010 0.4687439 0.5000000), wk = 0.0023474 k( 147) = ( 0.3245844 0.4674416 0.5000000), wk = 0.0023474 k( 148) = ( 0.3375678 0.4661392 0.5000000), wk = 0.0023474 k( 149) = ( 0.3505512 0.4648369 0.5000000), wk = 0.0023474 k( 150) = ( 0.3635345 0.4635345 0.5000000), wk = 0.0023474 k( 151) = ( 0.3765179 0.4622322 0.5000000), wk = 0.0023474 k( 152) = ( 0.3895013 0.4609299 0.5000000), wk = 0.0023474 k( 153) = ( 0.4024847 0.4596275 0.5000000), wk = 0.0023474 k( 154) = ( 0.4154680 0.4583252 0.5000000), wk = 0.0023474 k( 155) = ( 0.4284514 0.4570228 0.5000000), wk = 0.0023474 k( 156) = ( 0.4414348 0.4557205 0.5000000), wk = 0.0023474 k( 157) = ( 0.4544182 0.4544182 0.5000000), wk = 0.0023474 k( 158) = ( 0.4544182 0.4544182 0.5000000), wk = 0.0023474 k( 159) = ( 0.4456794 0.4456794 0.5000000), wk = 0.0023474 k( 160) = ( 0.4369405 0.4369405 0.5000000), wk = 0.0023474 k( 161) = ( 0.4282017 0.4282017 0.5000000), wk = 0.0023474 k( 162) = ( 0.4194629 0.4194629 0.5000000), wk = 0.0023474 k( 163) = ( 0.4107241 0.4107241 0.5000000), wk = 0.0023474 k( 164) = ( 0.4019853 0.4019853 0.5000000), wk = 0.0023474 k( 165) = ( 0.3932465 0.3932465 0.5000000), wk = 0.0023474 k( 166) = ( 0.3845077 0.3845077 0.5000000), wk = 0.0023474 k( 167) = ( 0.3757689 0.3757689 0.5000000), wk = 0.0023474 k( 168) = ( 0.3670301 0.3670301 0.5000000), wk = 0.0023474 k( 169) = ( 0.3582913 0.3582912 0.5000000), wk = 0.0023474 k( 170) = ( 0.3495524 0.3495524 0.5000000), wk = 0.0023474 k( 171) = ( 0.3408136 0.3408136 0.5000000), wk = 0.0023474 k( 172) = ( 0.3320748 0.3320748 0.5000000), wk = 0.0023474 k( 173) = ( 0.3233360 0.3233360 0.5000000), wk = 0.0023474 k( 174) = ( 0.3145972 0.3145972 0.5000000), wk = 0.0023474 k( 175) = ( 0.3058584 0.3058584 0.5000000), wk = 0.0023474 k( 176) = ( 0.2971196 0.2971196 0.5000000), wk = 0.0023474 k( 177) = ( 0.2883808 0.2883808 0.5000000), wk = 0.0023474 k( 178) = ( 0.2796419 0.2796419 0.5000000), wk = 0.0023474 k( 179) = ( 0.2709031 0.2709031 0.5000000), wk = 0.0023474 k( 180) = ( 0.2621643 0.2621643 0.5000000), wk = 0.0023474 k( 181) = ( 0.2534255 0.2534255 0.5000000), wk = 0.0023474 k( 182) = ( 0.2446867 0.2446867 0.5000000), wk = 0.0023474 k( 183) = ( 0.2359479 0.2359479 0.5000000), wk = 0.0023474 k( 184) = ( 0.2272091 0.2272091 0.5000000), wk = 0.0023474 k( 185) = ( 0.2184703 0.2184703 0.5000000), wk = 0.0023474 k( 186) = ( 0.2097315 0.2097315 0.5000000), wk = 0.0023474 k( 187) = ( 0.2009926 0.2009926 0.5000000), wk = 0.0023474 k( 188) = ( 0.1922538 0.1922538 0.5000000), wk = 0.0023474 k( 189) = ( 0.1835150 0.1835150 0.5000000), wk = 0.0023474 k( 190) = ( 0.1747762 0.1747762 0.5000000), wk = 0.0023474 k( 191) = ( 0.1660374 0.1660374 0.5000000), wk = 0.0023474 k( 192) = ( 0.1572986 0.1572986 0.5000000), wk = 0.0023474 k( 193) = ( 0.1485598 0.1485598 0.5000000), wk = 0.0023474 k( 194) = ( 0.1398210 0.1398210 0.5000000), wk = 0.0023474 k( 195) = ( 0.1310822 0.1310822 0.5000000), wk = 0.0023474 k( 196) = ( 0.1223434 0.1223433 0.5000000), wk = 0.0023474 k( 197) = ( 0.1136045 0.1136045 0.5000000), wk = 0.0023474 k( 198) = ( 0.1048657 0.1048657 0.5000000), wk = 0.0023474 k( 199) = ( 0.0961269 0.0961269 0.5000000), wk = 0.0023474 k( 200) = ( 0.0873881 0.0873881 0.5000000), wk = 0.0023474 k( 201) = ( 0.0786493 0.0786493 0.5000000), wk = 0.0023474 k( 202) = ( 0.0699105 0.0699105 0.5000000), wk = 0.0023474 k( 203) = ( 0.0611717 0.0611717 0.5000000), wk = 0.0023474 k( 204) = ( 0.0524329 0.0524329 0.5000000), wk = 0.0023474 k( 205) = ( 0.0436940 0.0436940 0.5000000), wk = 0.0023474 k( 206) = ( 0.0349552 0.0349552 0.5000000), wk = 0.0023474 k( 207) = ( 0.0262164 0.0262164 0.5000000), wk = 0.0023474 k( 208) = ( 0.0174776 0.0174776 0.5000000), wk = 0.0023474 k( 209) = ( 0.0087388 0.0087388 0.5000000), wk = 0.0023474 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 212) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0023474 k( 213) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0023474 k( 214) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0023474 k( 215) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0023474 k( 216) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0023474 k( 217) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0023474 k( 218) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0023474 k( 219) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0023474 k( 220) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0023474 k( 221) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0023474 k( 222) = ( 0.0000000 0.0000000 0.3225806), wk = 0.0023474 k( 223) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0023474 k( 224) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0023474 k( 225) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0023474 k( 226) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0023474 k( 227) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0023474 k( 228) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0023474 k( 229) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0023474 k( 230) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0023474 k( 231) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0023474 k( 232) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0023474 k( 233) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0023474 k( 234) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0023474 k( 235) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0023474 k( 236) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0023474 k( 237) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0023474 k( 238) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0023474 k( 239) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0023474 k( 240) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0023474 k( 241) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0023474 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 244) = ( -0.0096154 0.0096154 0.0000000), wk = 0.0023474 k( 245) = ( -0.0192308 0.0192308 0.0000000), wk = 0.0023474 k( 246) = ( -0.0288462 0.0288462 0.0000000), wk = 0.0023474 k( 247) = ( -0.0384615 0.0384615 0.0000000), wk = 0.0023474 k( 248) = ( -0.0480769 0.0480769 0.0000000), wk = 0.0023474 k( 249) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0023474 k( 250) = ( -0.0673077 0.0673077 0.0000000), wk = 0.0023474 k( 251) = ( -0.0769231 0.0769231 0.0000000), wk = 0.0023474 k( 252) = ( -0.0865385 0.0865385 0.0000000), wk = 0.0023474 k( 253) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0023474 k( 254) = ( -0.1057692 0.1057692 -0.0000000), wk = 0.0023474 k( 255) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0023474 k( 256) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0023474 k( 257) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0023474 k( 258) = ( -0.1442308 0.1442308 -0.0000000), wk = 0.0023474 k( 259) = ( -0.1538461 0.1538461 -0.0000000), wk = 0.0023474 k( 260) = ( -0.1634615 0.1634615 0.0000000), wk = 0.0023474 k( 261) = ( -0.1730769 0.1730769 0.0000000), wk = 0.0023474 k( 262) = ( -0.1826923 0.1826923 -0.0000000), wk = 0.0023474 k( 263) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0023474 k( 264) = ( -0.2019231 0.2019231 0.0000000), wk = 0.0023474 k( 265) = ( -0.2115385 0.2115385 -0.0000000), wk = 0.0023474 k( 266) = ( -0.2211539 0.2211538 0.0000000), wk = 0.0023474 k( 267) = ( -0.2307692 0.2307692 0.0000000), wk = 0.0023474 k( 268) = ( -0.2403846 0.2403846 0.0000000), wk = 0.0023474 k( 269) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0023474 k( 270) = ( -0.2596154 0.2596154 0.0000000), wk = 0.0023474 k( 271) = ( -0.2692308 0.2692308 0.0000000), wk = 0.0023474 k( 272) = ( -0.2788462 0.2788462 0.0000000), wk = 0.0023474 k( 273) = ( -0.2884615 0.2884615 -0.0000000), wk = 0.0023474 k( 274) = ( -0.2980769 0.2980769 0.0000000), wk = 0.0023474 k( 275) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0023474 k( 276) = ( -0.3173077 0.3173077 0.0000000), wk = 0.0023474 k( 277) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0023474 k( 278) = ( -0.3365385 0.3365385 0.0000000), wk = 0.0023474 k( 279) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0023474 k( 280) = ( -0.3557692 0.3557692 -0.0000000), wk = 0.0023474 k( 281) = ( -0.3653846 0.3653846 -0.0000000), wk = 0.0023474 k( 282) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0023474 k( 283) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0023474 k( 284) = ( -0.3942308 0.3942308 0.0000000), wk = 0.0023474 k( 285) = ( -0.4038462 0.4038461 -0.0000000), wk = 0.0023474 k( 286) = ( -0.4134615 0.4134615 0.0000000), wk = 0.0023474 k( 287) = ( -0.4230769 0.4230769 -0.0000000), wk = 0.0023474 k( 288) = ( -0.4326923 0.4326923 -0.0000000), wk = 0.0023474 k( 289) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0023474 k( 290) = ( -0.4519231 0.4519231 0.0000000), wk = 0.0023474 k( 291) = ( -0.4615385 0.4615385 0.0000000), wk = 0.0023474 k( 292) = ( -0.4711538 0.4711538 0.0000000), wk = 0.0023474 k( 293) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0023474 k( 294) = ( -0.4903846 0.4903846 0.0000000), wk = 0.0023474 k( 295) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023474 k( 296) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023474 k( 297) = ( -0.4924030 0.5075970 -0.0000000), wk = 0.0023474 k( 298) = ( -0.4848061 0.5151939 0.0000000), wk = 0.0023474 k( 299) = ( -0.4772091 0.5227909 0.0000000), wk = 0.0023474 k( 300) = ( -0.4696121 0.5303879 -0.0000000), wk = 0.0023474 k( 301) = ( -0.4620151 0.5379849 0.0000000), wk = 0.0023474 k( 302) = ( -0.4544182 0.5455818 0.0000000), wk = 0.0023474 k( 303) = ( -0.4544182 0.5455818 0.0000000), wk = 0.0023474 k( 304) = ( -0.4544182 0.5455818 0.0161290), wk = 0.0023474 k( 305) = ( -0.4544182 0.5455818 0.0322581), wk = 0.0023474 k( 306) = ( -0.4544182 0.5455818 0.0483871), wk = 0.0023474 k( 307) = ( -0.4544182 0.5455818 0.0645161), wk = 0.0023474 k( 308) = ( -0.4544182 0.5455818 0.0806452), wk = 0.0023474 k( 309) = ( -0.4544182 0.5455818 0.0967742), wk = 0.0023474 k( 310) = ( -0.4544182 0.5455818 0.1129032), wk = 0.0023474 k( 311) = ( -0.4544182 0.5455818 0.1290323), wk = 0.0023474 k( 312) = ( -0.4544182 0.5455818 0.1451613), wk = 0.0023474 k( 313) = ( -0.4544182 0.5455818 0.1612903), wk = 0.0023474 k( 314) = ( -0.4544182 0.5455818 0.1774194), wk = 0.0023474 k( 315) = ( -0.4544182 0.5455818 0.1935484), wk = 0.0023474 k( 316) = ( -0.4544182 0.5455818 0.2096774), wk = 0.0023474 k( 317) = ( -0.4544182 0.5455818 0.2258064), wk = 0.0023474 k( 318) = ( -0.4544182 0.5455818 0.2419355), wk = 0.0023474 k( 319) = ( -0.4544182 0.5455818 0.2580645), wk = 0.0023474 k( 320) = ( -0.4544182 0.5455818 0.2741936), wk = 0.0023474 k( 321) = ( -0.4544182 0.5455818 0.2903226), wk = 0.0023474 k( 322) = ( -0.4544182 0.5455818 0.3064516), wk = 0.0023474 k( 323) = ( -0.4544182 0.5455818 0.3225807), wk = 0.0023474 k( 324) = ( -0.4544182 0.5455818 0.3387097), wk = 0.0023474 k( 325) = ( -0.4544182 0.5455818 0.3548387), wk = 0.0023474 k( 326) = ( -0.4544182 0.5455818 0.3709677), wk = 0.0023474 k( 327) = ( -0.4544182 0.5455818 0.3870968), wk = 0.0023474 k( 328) = ( -0.4544182 0.5455818 0.4032258), wk = 0.0023474 k( 329) = ( -0.4544182 0.5455818 0.4193548), wk = 0.0023474 k( 330) = ( -0.4544182 0.5455818 0.4354839), wk = 0.0023474 k( 331) = ( -0.4544182 0.5455818 0.4516129), wk = 0.0023474 k( 332) = ( -0.4544182 0.5455818 0.4677419), wk = 0.0023474 k( 333) = ( -0.4544182 0.5455818 0.4838710), wk = 0.0023474 k( 334) = ( -0.4544182 0.5455818 0.5000000), wk = 0.0023474 k( 335) = ( -0.4544182 0.5455818 0.5000000), wk = 0.0023474 k( 336) = ( -0.4620151 0.5379849 0.5000000), wk = 0.0023474 k( 337) = ( -0.4696121 0.5303879 0.5000000), wk = 0.0023474 k( 338) = ( -0.4772091 0.5227909 0.5000000), wk = 0.0023474 k( 339) = ( -0.4848061 0.5151939 0.5000000), wk = 0.0023474 k( 340) = ( -0.4924030 0.5075970 0.5000000), wk = 0.0023474 k( 341) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 343) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0023474 k( 344) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0023474 k( 345) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0023474 k( 346) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0023474 k( 347) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0023474 k( 348) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0023474 k( 349) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0023474 k( 350) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0023474 k( 351) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0023474 k( 352) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0023474 k( 353) = ( -0.5000000 0.5000000 0.3225806), wk = 0.0023474 k( 354) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0023474 k( 355) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0023474 k( 356) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0023474 k( 357) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0023474 k( 358) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0023474 k( 359) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0023474 k( 360) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0023474 k( 361) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0023474 k( 362) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0023474 k( 363) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0023474 k( 364) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0023474 k( 365) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0023474 k( 366) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0023474 k( 367) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0023474 k( 368) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0023474 k( 369) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0023474 k( 370) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0023474 k( 371) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0023474 k( 372) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0023474 k( 373) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023474 k( 374) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 375) = ( -0.0096154 0.0096154 0.5000000), wk = 0.0023474 k( 376) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0023474 k( 377) = ( -0.0288462 0.0288462 0.5000000), wk = 0.0023474 k( 378) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0023474 k( 379) = ( -0.0480769 0.0480769 0.5000000), wk = 0.0023474 k( 380) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0023474 k( 381) = ( -0.0673077 0.0673077 0.5000000), wk = 0.0023474 k( 382) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0023474 k( 383) = ( -0.0865385 0.0865385 0.5000000), wk = 0.0023474 k( 384) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0023474 k( 385) = ( -0.1057692 0.1057692 0.5000000), wk = 0.0023474 k( 386) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0023474 k( 387) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0023474 k( 388) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0023474 k( 389) = ( -0.1442308 0.1442308 0.5000000), wk = 0.0023474 k( 390) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0023474 k( 391) = ( -0.1634615 0.1634615 0.5000000), wk = 0.0023474 k( 392) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0023474 k( 393) = ( -0.1826923 0.1826923 0.5000000), wk = 0.0023474 k( 394) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0023474 k( 395) = ( -0.2019231 0.2019231 0.5000000), wk = 0.0023474 k( 396) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0023474 k( 397) = ( -0.2211539 0.2211538 0.5000000), wk = 0.0023474 k( 398) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0023474 k( 399) = ( -0.2403846 0.2403846 0.5000000), wk = 0.0023474 k( 400) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0023474 k( 401) = ( -0.2596154 0.2596154 0.5000000), wk = 0.0023474 k( 402) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0023474 k( 403) = ( -0.2788462 0.2788462 0.5000000), wk = 0.0023474 k( 404) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0023474 k( 405) = ( -0.2980769 0.2980769 0.5000000), wk = 0.0023474 k( 406) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0023474 k( 407) = ( -0.3173077 0.3173077 0.5000000), wk = 0.0023474 k( 408) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0023474 k( 409) = ( -0.3365385 0.3365385 0.5000000), wk = 0.0023474 k( 410) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0023474 k( 411) = ( -0.3557692 0.3557692 0.5000000), wk = 0.0023474 k( 412) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0023474 k( 413) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0023474 k( 414) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0023474 k( 415) = ( -0.3942308 0.3942308 0.5000000), wk = 0.0023474 k( 416) = ( -0.4038462 0.4038461 0.5000000), wk = 0.0023474 k( 417) = ( -0.4134615 0.4134615 0.5000000), wk = 0.0023474 k( 418) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0023474 k( 419) = ( -0.4326923 0.4326923 0.5000000), wk = 0.0023474 k( 420) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0023474 k( 421) = ( -0.4519231 0.4519231 0.5000000), wk = 0.0023474 k( 422) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0023474 k( 423) = ( -0.4711538 0.4711538 0.5000000), wk = 0.0023474 k( 424) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0023474 k( 425) = ( -0.4903846 0.4903846 0.5000000), wk = 0.0023474 k( 426) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023474 Dense grid: 84393 G-vectors FFT dimensions: ( 54, 54, 64) Smooth grid: 22421 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 176, 44) NL pseudopotentials 0.18 Mb ( 88, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2344) G-vector shells 0.01 Mb ( 1166) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 176, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./HgTe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.6 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.5 secs Computing kpt #: 23 total cpu time spent up to now is 13.0 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.4 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.4 secs Computing kpt #: 29 total cpu time spent up to now is 15.9 secs Computing kpt #: 30 total cpu time spent up to now is 16.4 secs Computing kpt #: 31 total cpu time spent up to now is 16.9 secs Computing kpt #: 32 total cpu time spent up to now is 17.5 secs Computing kpt #: 33 total cpu time spent up to now is 18.0 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 19.9 secs Computing kpt #: 38 total cpu time spent up to now is 20.3 secs Computing kpt #: 39 total cpu time spent up to now is 20.8 secs Computing kpt #: 40 total cpu time spent up to now is 21.3 secs Computing kpt #: 41 total cpu time spent up to now is 21.8 secs Computing kpt #: 42 total cpu time spent up to now is 22.4 secs Computing kpt #: 43 total cpu time spent up to now is 23.0 secs Computing kpt #: 44 total cpu time spent up to now is 23.6 secs Computing kpt #: 45 total cpu time spent up to now is 24.2 secs Computing kpt #: 46 total cpu time spent up to now is 24.7 secs Computing kpt #: 47 total cpu time spent up to now is 25.2 secs Computing kpt #: 48 total cpu time spent up to now is 25.6 secs Computing kpt #: 49 total cpu time spent up to now is 26.1 secs Computing kpt #: 50 total cpu time spent up to now is 26.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.9 secs Computing kpt #: 52 total cpu time spent up to now is 27.4 secs Computing kpt #: 53 total cpu time spent up to now is 27.8 secs Computing kpt #: 54 total cpu time spent up to now is 28.2 secs Computing kpt #: 55 total cpu time spent up to now is 28.6 secs Computing kpt #: 56 total cpu time spent up to now is 29.0 secs Computing kpt #: 57 total cpu time spent up to now is 29.5 secs Computing kpt #: 58 total cpu time spent up to now is 29.9 secs Computing kpt #: 59 total cpu time spent up to now is 30.4 secs Computing kpt #: 60 total cpu time spent up to now is 30.9 secs Computing kpt #: 61 total cpu time spent up to now is 31.4 secs Computing kpt #: 62 total cpu time spent up to now is 32.0 secs Computing kpt #: 63 total cpu time spent up to now is 32.6 secs Computing kpt #: 64 total cpu time spent up to now is 33.2 secs Computing kpt #: 65 total cpu time spent up to now is 33.7 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.6 secs Computing kpt #: 68 total cpu time spent up to now is 35.0 secs Computing kpt #: 69 total cpu time spent up to now is 35.5 secs Computing kpt #: 70 total cpu time spent up to now is 35.9 secs Computing kpt #: 71 total cpu time spent up to now is 36.3 secs Computing kpt #: 72 total cpu time spent up to now is 36.7 secs Computing kpt #: 73 total cpu time spent up to now is 37.1 secs Computing kpt #: 74 total cpu time spent up to now is 37.5 secs Computing kpt #: 75 total cpu time spent up to now is 37.9 secs Computing kpt #: 76 total cpu time spent up to now is 38.3 secs Computing kpt #: 77 total cpu time spent up to now is 38.8 secs Computing kpt #: 78 total cpu time spent up to now is 39.2 secs Computing kpt #: 79 total cpu time spent up to now is 39.6 secs Computing kpt #: 80 total cpu time spent up to now is 40.1 secs Computing kpt #: 81 total cpu time spent up to now is 40.6 secs Computing kpt #: 82 total cpu time spent up to now is 41.2 secs Computing kpt #: 83 total cpu time spent up to now is 41.8 secs Computing kpt #: 84 total cpu time spent up to now is 42.4 secs Computing kpt #: 85 total cpu time spent up to now is 43.0 secs Computing kpt #: 86 total cpu time spent up to now is 43.8 secs Computing kpt #: 87 total cpu time spent up to now is 44.6 secs Computing kpt #: 88 total cpu time spent up to now is 45.3 secs Computing kpt #: 89 total cpu time spent up to now is 45.9 secs Computing kpt #: 90 total cpu time spent up to now is 46.5 secs Computing kpt #: 91 total cpu time spent up to now is 47.2 secs Computing kpt #: 92 total cpu time spent up to now is 47.8 secs Computing kpt #: 93 total cpu time spent up to now is 48.3 secs Computing kpt #: 94 total cpu time spent up to now is 48.8 secs Computing kpt #: 95 total cpu time spent up to now is 49.3 secs Computing kpt #: 96 total cpu time spent up to now is 49.8 secs Computing kpt #: 97 total cpu time spent up to now is 50.3 secs Computing kpt #: 98 total cpu time spent up to now is 50.7 secs Computing kpt #: 99 total cpu time spent up to now is 51.2 secs Computing kpt #: 100 total cpu time spent up to now is 51.7 secs Computing kpt #: 101 total cpu time spent up to now is 52.1 secs Computing kpt #: 102 total cpu time spent up to now is 52.6 secs Computing kpt #: 103 total cpu time spent up to now is 53.0 secs Computing kpt #: 104 total cpu time spent up to now is 53.5 secs Computing kpt #: 105 total cpu time spent up to now is 53.9 secs Computing kpt #: 106 total cpu time spent up to now is 54.4 secs Computing kpt #: 107 total cpu time spent up to now is 54.9 secs Computing kpt #: 108 total cpu time spent up to now is 55.3 secs Computing kpt #: 109 total cpu time spent up to now is 55.8 secs Computing kpt #: 110 total cpu time spent up to now is 56.3 secs Computing kpt #: 111 total cpu time spent up to now is 56.9 secs Computing kpt #: 112 total cpu time spent up to now is 57.4 secs Computing kpt #: 113 total cpu time spent up to now is 58.0 secs Computing kpt #: 114 total cpu time spent up to now is 58.5 secs Computing kpt #: 115 total cpu time spent up to now is 59.0 secs Computing kpt #: 116 total cpu time spent up to now is 59.5 secs Computing kpt #: 117 total cpu time spent up to now is 60.0 secs Computing kpt #: 118 total cpu time spent up to now is 60.5 secs Computing kpt #: 119 total cpu time spent up to now is 61.0 secs Computing kpt #: 120 total cpu time spent up to now is 61.5 secs Computing kpt #: 121 total cpu time spent up to now is 62.0 secs Computing kpt #: 122 total cpu time spent up to now is 62.8 secs Computing kpt #: 123 total cpu time spent up to now is 63.4 secs Computing kpt #: 124 total cpu time spent up to now is 64.1 secs Computing kpt #: 125 total cpu time spent up to now is 64.6 secs Computing kpt #: 126 total cpu time spent up to now is 65.1 secs Computing kpt #: 127 total cpu time spent up to now is 65.6 secs Computing kpt #: 128 total cpu time spent up to now is 66.1 secs Computing kpt #: 129 total cpu time spent up to now is 66.6 secs Computing kpt #: 130 total cpu time spent up to now is 67.1 secs Computing kpt #: 131 total cpu time spent up to now is 67.6 secs Computing kpt #: 132 total cpu time spent up to now is 68.1 secs Computing kpt #: 133 total cpu time spent up to now is 68.6 secs Computing kpt #: 134 total cpu time spent up to now is 69.1 secs Computing kpt #: 135 total cpu time spent up to now is 69.6 secs Computing kpt #: 136 total cpu time spent up to now is 70.1 secs Computing kpt #: 137 total cpu time spent up to now is 70.6 secs Computing kpt #: 138 total cpu time spent up to now is 71.1 secs Computing kpt #: 139 total cpu time spent up to now is 71.5 secs Computing kpt #: 140 total cpu time spent up to now is 72.0 secs Computing kpt #: 141 total cpu time spent up to now is 72.5 secs Computing kpt #: 142 total cpu time spent up to now is 72.9 secs Computing kpt #: 143 total cpu time spent up to now is 73.4 secs Computing kpt #: 144 total cpu time spent up to now is 73.9 secs Computing kpt #: 145 total cpu time spent up to now is 74.3 secs Computing kpt #: 146 total cpu time spent up to now is 74.8 secs Computing kpt #: 147 total cpu time spent up to now is 75.3 secs Computing kpt #: 148 total cpu time spent up to now is 75.7 secs Computing kpt #: 149 total cpu time spent up to now is 76.2 secs Computing kpt #: 150 total cpu time spent up to now is 76.7 secs Computing kpt #: 151 total cpu time spent up to now is 77.1 secs Computing kpt #: 152 total cpu time spent up to now is 77.7 secs Computing kpt #: 153 total cpu time spent up to now is 78.1 secs Computing kpt #: 154 total cpu time spent up to now is 78.6 secs Computing kpt #: 155 total cpu time spent up to now is 79.0 secs Computing kpt #: 156 total cpu time spent up to now is 79.5 secs Computing kpt #: 157 total cpu time spent up to now is 80.0 secs Computing kpt #: 158 total cpu time spent up to now is 80.4 secs Computing kpt #: 159 total cpu time spent up to now is 80.9 secs Computing kpt #: 160 total cpu time spent up to now is 81.3 secs Computing kpt #: 161 total cpu time spent up to now is 81.8 secs Computing kpt #: 162 total cpu time spent up to now is 82.2 secs Computing kpt #: 163 total cpu time spent up to now is 82.7 secs Computing kpt #: 164 total cpu time spent up to now is 83.1 secs Computing kpt #: 165 total cpu time spent up to now is 83.6 secs Computing kpt #: 166 total cpu time spent up to now is 84.1 secs Computing kpt #: 167 total cpu time spent up to now is 84.5 secs Computing kpt #: 168 total cpu time spent up to now is 85.0 secs Computing kpt #: 169 total cpu time spent up to now is 85.4 secs Computing kpt #: 170 total cpu time spent up to now is 85.9 secs Computing kpt #: 171 total cpu time spent up to now is 86.3 secs Computing kpt #: 172 total cpu time spent up to now is 86.8 secs Computing kpt #: 173 total cpu time spent up to now is 87.2 secs Computing kpt #: 174 total cpu time spent up to now is 87.7 secs Computing kpt #: 175 total cpu time spent up to now is 88.2 secs Computing kpt #: 176 total cpu time spent up to now is 88.7 secs Computing kpt #: 177 total cpu time spent up to now is 89.2 secs Computing kpt #: 178 total cpu time spent up to now is 89.7 secs Computing kpt #: 179 total cpu time spent up to now is 90.2 secs Computing kpt #: 180 total cpu time spent up to now is 90.7 secs Computing kpt #: 181 total cpu time spent up to now is 91.2 secs Computing kpt #: 182 total cpu time spent up to now is 91.7 secs Computing kpt #: 183 total cpu time spent up to now is 92.2 secs Computing kpt #: 184 total cpu time spent up to now is 93.0 secs Computing kpt #: 185 total cpu time spent up to now is 93.5 secs Computing kpt #: 186 total cpu time spent up to now is 94.0 secs Computing kpt #: 187 total cpu time spent up to now is 94.5 secs Computing kpt #: 188 total cpu time spent up to now is 95.0 secs Computing kpt #: 189 total cpu time spent up to now is 95.6 secs Computing kpt #: 190 total cpu time spent up to now is 96.1 secs Computing kpt #: 191 total cpu time spent up to now is 96.6 secs Computing kpt #: 192 total cpu time spent up to now is 97.1 secs Computing kpt #: 193 total cpu time spent up to now is 97.6 secs Computing kpt #: 194 total cpu time spent up to now is 98.1 secs Computing kpt #: 195 total cpu time spent up to now is 98.6 secs Computing kpt #: 196 total cpu time spent up to now is 99.1 secs Computing kpt #: 197 total cpu time spent up to now is 99.5 secs Computing kpt #: 198 total cpu time spent up to now is 100.0 secs Computing kpt #: 199 total cpu time spent up to now is 100.4 secs Computing kpt #: 200 total cpu time spent up to now is 100.9 secs Computing kpt #: 201 total cpu time spent up to now is 101.4 secs Computing kpt #: 202 total cpu time spent up to now is 101.8 secs Computing kpt #: 203 total cpu time spent up to now is 102.3 secs Computing kpt #: 204 total cpu time spent up to now is 102.8 secs Computing kpt #: 205 total cpu time spent up to now is 103.3 secs Computing kpt #: 206 total cpu time spent up to now is 103.8 secs Computing kpt #: 207 total cpu time spent up to now is 104.3 secs Computing kpt #: 208 total cpu time spent up to now is 104.8 secs Computing kpt #: 209 total cpu time spent up to now is 105.4 secs Computing kpt #: 210 total cpu time spent up to now is 106.0 secs Computing kpt #: 211 total cpu time spent up to now is 106.5 secs Computing kpt #: 212 total cpu time spent up to now is 107.1 secs Computing kpt #: 213 total cpu time spent up to now is 107.7 secs Computing kpt #: 214 total cpu time spent up to now is 108.3 secs Computing kpt #: 215 total cpu time spent up to now is 108.9 secs Computing kpt #: 216 total cpu time spent up to now is 109.5 secs Computing kpt #: 217 total cpu time spent up to now is 110.1 secs Computing kpt #: 218 total cpu time spent up to now is 110.7 secs Computing kpt #: 219 total cpu time spent up to now is 111.3 secs Computing kpt #: 220 total cpu time spent up to now is 111.8 secs Computing kpt #: 221 total cpu time spent up to now is 112.4 secs Computing kpt #: 222 total cpu time spent up to now is 112.9 secs Computing kpt #: 223 total cpu time spent up to now is 113.5 secs Computing kpt #: 224 total cpu time spent up to now is 114.0 secs Computing kpt #: 225 total cpu time spent up to now is 114.7 secs Computing kpt #: 226 total cpu time spent up to now is 115.3 secs Computing kpt #: 227 total cpu time spent up to now is 115.9 secs Computing kpt #: 228 total cpu time spent up to now is 116.6 secs Computing kpt #: 229 total cpu time spent up to now is 117.2 secs Computing kpt #: 230 total cpu time spent up to now is 117.7 secs Computing kpt #: 231 total cpu time spent up to now is 118.2 secs Computing kpt #: 232 total cpu time spent up to now is 118.7 secs Computing kpt #: 233 total cpu time spent up to now is 119.2 secs Computing kpt #: 234 total cpu time spent up to now is 119.7 secs Computing kpt #: 235 total cpu time spent up to now is 120.2 secs Computing kpt #: 236 total cpu time spent up to now is 120.7 secs Computing kpt #: 237 total cpu time spent up to now is 121.2 secs Computing kpt #: 238 total cpu time spent up to now is 121.8 secs Computing kpt #: 239 total cpu time spent up to now is 122.4 secs Computing kpt #: 240 total cpu time spent up to now is 123.0 secs Computing kpt #: 241 total cpu time spent up to now is 123.6 secs Computing kpt #: 242 total cpu time spent up to now is 124.2 secs Computing kpt #: 243 total cpu time spent up to now is 124.8 secs Computing kpt #: 244 total cpu time spent up to now is 125.4 secs Computing kpt #: 245 total cpu time spent up to now is 126.0 secs Computing kpt #: 246 total cpu time spent up to now is 126.7 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 128.1 secs Computing kpt #: 249 total cpu time spent up to now is 128.9 secs Computing kpt #: 250 total cpu time spent up to now is 129.5 secs Computing kpt #: 251 total cpu time spent up to now is 130.1 secs Computing kpt #: 252 total cpu time spent up to now is 130.8 secs Computing kpt #: 253 total cpu time spent up to now is 131.4 secs Computing kpt #: 254 total cpu time spent up to now is 132.2 secs Computing kpt #: 255 total cpu time spent up to now is 132.9 secs Computing kpt #: 256 total cpu time spent up to now is 133.7 secs Computing kpt #: 257 total cpu time spent up to now is 134.5 secs Computing kpt #: 258 total cpu time spent up to now is 135.2 secs Computing kpt #: 259 total cpu time spent up to now is 135.9 secs Computing kpt #: 260 total cpu time spent up to now is 136.6 secs Computing kpt #: 261 total cpu time spent up to now is 137.3 secs Computing kpt #: 262 total cpu time spent up to now is 138.0 secs Computing kpt #: 263 total cpu time spent up to now is 138.8 secs Computing kpt #: 264 total cpu time spent up to now is 139.5 secs Computing kpt #: 265 total cpu time spent up to now is 140.3 secs Computing kpt #: 266 total cpu time spent up to now is 141.1 secs Computing kpt #: 267 total cpu time spent up to now is 142.0 secs Computing kpt #: 268 total cpu time spent up to now is 142.9 secs Computing kpt #: 269 total cpu time spent up to now is 143.5 secs Computing kpt #: 270 total cpu time spent up to now is 144.1 secs Computing kpt #: 271 total cpu time spent up to now is 144.6 secs Computing kpt #: 272 total cpu time spent up to now is 145.1 secs Computing kpt #: 273 total cpu time spent up to now is 145.6 secs Computing kpt #: 274 total cpu time spent up to now is 146.1 secs Computing kpt #: 275 total cpu time spent up to now is 146.5 secs Computing kpt #: 276 total cpu time spent up to now is 146.9 secs Computing kpt #: 277 total cpu time spent up to now is 147.4 secs Computing kpt #: 278 total cpu time spent up to now is 147.8 secs Computing kpt #: 279 total cpu time spent up to now is 148.3 secs Computing kpt #: 280 total cpu time spent up to now is 148.9 secs Computing kpt #: 281 total cpu time spent up to now is 149.5 secs Computing kpt #: 282 total cpu time spent up to now is 150.1 secs Computing kpt #: 283 total cpu time spent up to now is 150.7 secs Computing kpt #: 284 total cpu time spent up to now is 151.3 secs Computing kpt #: 285 total cpu time spent up to now is 151.8 secs Computing kpt #: 286 total cpu time spent up to now is 152.3 secs Computing kpt #: 287 total cpu time spent up to now is 152.7 secs Computing kpt #: 288 total cpu time spent up to now is 153.2 secs Computing kpt #: 289 total cpu time spent up to now is 153.6 secs Computing kpt #: 290 total cpu time spent up to now is 154.0 secs Computing kpt #: 291 total cpu time spent up to now is 154.4 secs Computing kpt #: 292 total cpu time spent up to now is 154.7 secs Computing kpt #: 293 total cpu time spent up to now is 155.1 secs Computing kpt #: 294 total cpu time spent up to now is 155.5 secs Computing kpt #: 295 total cpu time spent up to now is 155.9 secs Computing kpt #: 296 total cpu time spent up to now is 156.2 secs Computing kpt #: 297 total cpu time spent up to now is 156.6 secs Computing kpt #: 298 total cpu time spent up to now is 157.0 secs Computing kpt #: 299 total cpu time spent up to now is 157.3 secs Computing kpt #: 300 total cpu time spent up to now is 157.7 secs Computing kpt #: 301 total cpu time spent up to now is 158.1 secs Computing kpt #: 302 total cpu time spent up to now is 158.5 secs Computing kpt #: 303 total cpu time spent up to now is 158.8 secs Computing kpt #: 304 total cpu time spent up to now is 159.2 secs Computing kpt #: 305 total cpu time spent up to now is 159.6 secs Computing kpt #: 306 total cpu time spent up to now is 160.0 secs Computing kpt #: 307 total cpu time spent up to now is 160.4 secs Computing kpt #: 308 total cpu time spent up to now is 160.8 secs Computing kpt #: 309 total cpu time spent up to now is 161.2 secs Computing kpt #: 310 total cpu time spent up to now is 161.6 secs Computing kpt #: 311 total cpu time spent up to now is 162.0 secs Computing kpt #: 312 total cpu time spent up to now is 162.4 secs Computing kpt #: 313 total cpu time spent up to now is 162.8 secs Computing kpt #: 314 total cpu time spent up to now is 163.3 secs Computing kpt #: 315 total cpu time spent up to now is 163.7 secs Computing kpt #: 316 total cpu time spent up to now is 164.1 secs Computing kpt #: 317 total cpu time spent up to now is 164.6 secs Computing kpt #: 318 total cpu time spent up to now is 165.0 secs Computing kpt #: 319 total cpu time spent up to now is 165.5 secs Computing kpt #: 320 total cpu time spent up to now is 165.9 secs Computing kpt #: 321 total cpu time spent up to now is 166.4 secs Computing kpt #: 322 total cpu time spent up to now is 166.8 secs Computing kpt #: 323 total cpu time spent up to now is 167.3 secs Computing kpt #: 324 total cpu time spent up to now is 167.8 secs Computing kpt #: 325 total cpu time spent up to now is 168.4 secs Computing kpt #: 326 total cpu time spent up to now is 169.1 secs Computing kpt #: 327 total cpu time spent up to now is 169.8 secs Computing kpt #: 328 total cpu time spent up to now is 170.3 secs Computing kpt #: 329 total cpu time spent up to now is 170.8 secs Computing kpt #: 330 total cpu time spent up to now is 171.2 secs Computing kpt #: 331 total cpu time spent up to now is 171.7 secs Computing kpt #: 332 total cpu time spent up to now is 172.2 secs Computing kpt #: 333 total cpu time spent up to now is 172.6 secs Computing kpt #: 334 total cpu time spent up to now is 173.1 secs Computing kpt #: 335 total cpu time spent up to now is 173.6 secs Computing kpt #: 336 total cpu time spent up to now is 174.1 secs Computing kpt #: 337 total cpu time spent up to now is 174.5 secs Computing kpt #: 338 total cpu time spent up to now is 175.0 secs Computing kpt #: 339 total cpu time spent up to now is 175.4 secs Computing kpt #: 340 total cpu time spent up to now is 175.9 secs Computing kpt #: 341 total cpu time spent up to now is 176.4 secs Computing kpt #: 342 total cpu time spent up to now is 176.8 secs Computing kpt #: 343 total cpu time spent up to now is 177.3 secs Computing kpt #: 344 total cpu time spent up to now is 177.7 secs Computing kpt #: 345 total cpu time spent up to now is 178.2 secs Computing kpt #: 346 total cpu time spent up to now is 178.7 secs Computing kpt #: 347 total cpu time spent up to now is 179.3 secs Computing kpt #: 348 total cpu time spent up to now is 180.1 secs Computing kpt #: 349 total cpu time spent up to now is 180.7 secs Computing kpt #: 350 total cpu time spent up to now is 181.2 secs Computing kpt #: 351 total cpu time spent up to now is 181.7 secs Computing kpt #: 352 total cpu time spent up to now is 182.2 secs Computing kpt #: 353 total cpu time spent up to now is 182.6 secs Computing kpt #: 354 total cpu time spent up to now is 183.1 secs Computing kpt #: 355 total cpu time spent up to now is 183.6 secs Computing kpt #: 356 total cpu time spent up to now is 184.0 secs Computing kpt #: 357 total cpu time spent up to now is 184.4 secs Computing kpt #: 358 total cpu time spent up to now is 184.8 secs Computing kpt #: 359 total cpu time spent up to now is 185.2 secs Computing kpt #: 360 total cpu time spent up to now is 185.6 secs Computing kpt #: 361 total cpu time spent up to now is 186.0 secs Computing kpt #: 362 total cpu time spent up to now is 186.4 secs Computing kpt #: 363 total cpu time spent up to now is 186.8 secs Computing kpt #: 364 total cpu time spent up to now is 187.2 secs Computing kpt #: 365 total cpu time spent up to now is 187.6 secs Computing kpt #: 366 total cpu time spent up to now is 187.9 secs Computing kpt #: 367 total cpu time spent up to now is 188.3 secs Computing kpt #: 368 total cpu time spent up to now is 188.7 secs Computing kpt #: 369 total cpu time spent up to now is 189.1 secs Computing kpt #: 370 total cpu time spent up to now is 189.5 secs Computing kpt #: 371 total cpu time spent up to now is 189.8 secs Computing kpt #: 372 total cpu time spent up to now is 190.2 secs Computing kpt #: 373 total cpu time spent up to now is 190.6 secs Computing kpt #: 374 total cpu time spent up to now is 191.1 secs Computing kpt #: 375 total cpu time spent up to now is 191.7 secs Computing kpt #: 376 total cpu time spent up to now is 192.3 secs Computing kpt #: 377 total cpu time spent up to now is 192.9 secs Computing kpt #: 378 total cpu time spent up to now is 193.5 secs Computing kpt #: 379 total cpu time spent up to now is 194.1 secs Computing kpt #: 380 total cpu time spent up to now is 194.7 secs Computing kpt #: 381 total cpu time spent up to now is 195.4 secs Computing kpt #: 382 total cpu time spent up to now is 196.0 secs Computing kpt #: 383 total cpu time spent up to now is 196.6 secs Computing kpt #: 384 total cpu time spent up to now is 197.1 secs Computing kpt #: 385 total cpu time spent up to now is 197.6 secs Computing kpt #: 386 total cpu time spent up to now is 198.1 secs Computing kpt #: 387 total cpu time spent up to now is 198.6 secs Computing kpt #: 388 total cpu time spent up to now is 199.1 secs Computing kpt #: 389 total cpu time spent up to now is 199.6 secs Computing kpt #: 390 total cpu time spent up to now is 200.0 secs Computing kpt #: 391 total cpu time spent up to now is 200.5 secs Computing kpt #: 392 total cpu time spent up to now is 201.0 secs Computing kpt #: 393 total cpu time spent up to now is 201.4 secs Computing kpt #: 394 total cpu time spent up to now is 201.9 secs Computing kpt #: 395 total cpu time spent up to now is 202.3 secs Computing kpt #: 396 total cpu time spent up to now is 202.8 secs Computing kpt #: 397 total cpu time spent up to now is 203.3 secs Computing kpt #: 398 total cpu time spent up to now is 203.7 secs Computing kpt #: 399 total cpu time spent up to now is 204.2 secs Computing kpt #: 400 total cpu time spent up to now is 204.7 secs Computing kpt #: 401 total cpu time spent up to now is 205.1 secs Computing kpt #: 402 total cpu time spent up to now is 205.6 secs Computing kpt #: 403 total cpu time spent up to now is 206.0 secs Computing kpt #: 404 total cpu time spent up to now is 206.5 secs Computing kpt #: 405 total cpu time spent up to now is 207.0 secs Computing kpt #: 406 total cpu time spent up to now is 207.5 secs Computing kpt #: 407 total cpu time spent up to now is 208.0 secs Computing kpt #: 408 total cpu time spent up to now is 208.4 secs Computing kpt #: 409 total cpu time spent up to now is 208.9 secs Computing kpt #: 410 total cpu time spent up to now is 209.4 secs Computing kpt #: 411 total cpu time spent up to now is 209.9 secs Computing kpt #: 412 total cpu time spent up to now is 210.4 secs Computing kpt #: 413 total cpu time spent up to now is 210.9 secs Computing kpt #: 414 total cpu time spent up to now is 211.4 secs Computing kpt #: 415 total cpu time spent up to now is 211.9 secs Computing kpt #: 416 total cpu time spent up to now is 212.4 secs Computing kpt #: 417 total cpu time spent up to now is 212.8 secs Computing kpt #: 418 total cpu time spent up to now is 213.3 secs Computing kpt #: 419 total cpu time spent up to now is 213.8 secs Computing kpt #: 420 total cpu time spent up to now is 214.2 secs Computing kpt #: 421 total cpu time spent up to now is 214.7 secs Computing kpt #: 422 total cpu time spent up to now is 215.1 secs Computing kpt #: 423 total cpu time spent up to now is 215.6 secs Computing kpt #: 424 total cpu time spent up to now is 216.1 secs Computing kpt #: 425 total cpu time spent up to now is 216.5 secs Computing kpt #: 426 total cpu time spent up to now is 217.0 secs ethr = 2.78E-08, avg # of iterations = 29.7 total cpu time spent up to now is 217.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -1.6372 -1.6372 0.9713 0.9713 3.6846 3.6846 3.8039 3.8039 3.8324 3.8324 4.3938 4.3938 5.1121 5.1121 5.4483 5.4483 5.6787 5.6787 5.7738 5.7738 5.8156 5.8156 6.7677 6.7677 6.9622 6.9622 8.5359 8.5359 9.1365 9.1365 9.7073 9.7073 10.0474 10.0474 12.5421 12.5421 13.3169 13.3169 13.7824 13.7824 16.6578 16.6578 17.5444 17.5444 k = 0.0087 0.0097-0.0000 ( 2779 PWs) bands (ev): -1.6359 -1.6359 0.9721 0.9721 3.6844 3.6844 3.8031 3.8031 3.8328 3.8328 4.3931 4.3931 5.1114 5.1114 5.4484 5.4484 5.6785 5.6785 5.7731 5.7731 5.8152 5.8152 6.7695 6.7695 6.9586 6.9586 8.5197 8.5197 9.1130 9.1130 9.7379 9.7379 10.0623 10.0623 12.5464 12.5464 13.3174 13.3174 13.7810 13.7810 16.6512 16.6512 17.5272 17.5272 k = 0.0175 0.0193-0.0000 ( 2771 PWs) bands (ev): -1.6319 -1.6319 0.9745 0.9745 3.6836 3.6836 3.8010 3.8010 3.8338 3.8338 4.3909 4.3909 5.1091 5.1091 5.4485 5.4485 5.6780 5.6780 5.7713 5.7713 5.8140 5.8140 6.7745 6.7745 6.9485 6.9485 8.4734 8.4734 9.0542 9.0542 9.8176 9.8176 10.1050 10.1050 12.5597 12.5597 13.3188 13.3188 13.7768 13.7768 16.6316 16.6316 17.4814 17.4814 k = 0.0262 0.0290-0.0000 ( 2777 PWs) bands (ev): -1.6252 -1.6252 0.9785 0.9785 3.6824 3.6824 3.7977 3.7977 3.8352 3.8352 4.3872 4.3872 5.1054 5.1054 5.4486 5.4486 5.6771 5.6771 5.7684 5.7684 5.8120 5.8120 6.7813 6.7813 6.9333 6.9333 8.4024 8.4024 8.9794 8.9794 9.9264 9.9264 10.1698 10.1698 12.5822 12.5822 13.3213 13.3213 13.7700 13.7700 16.5998 16.5998 17.4176 17.4176 k = 0.0350 0.0387-0.0000 ( 2781 PWs) bands (ev): -1.6159 -1.6159 0.9840 0.9840 3.6807 3.6807 3.7936 3.7936 3.8366 3.8366 4.3822 4.3822 5.1001 5.1001 5.4489 5.4489 5.6755 5.6755 5.7645 5.7645 5.8091 5.8091 6.7863 6.7863 6.9170 6.9170 8.3132 8.3132 8.9005 8.9005 10.0512 10.0512 10.2500 10.2500 12.6146 12.6146 13.3253 13.3253 13.7608 13.7608 16.5572 16.5572 17.3441 17.3441 k = 0.0437 0.0483-0.0000 ( 2781 PWs) bands (ev): -1.6040 -1.6040 0.9910 0.9910 3.6785 3.6785 3.7888 3.7888 3.8380 3.8380 4.3759 4.3759 5.0934 5.0934 5.4492 5.4492 5.6729 5.6729 5.7599 5.7599 5.8055 5.8055 6.7819 6.7819 6.9076 6.9076 8.2119 8.2119 8.8232 8.8232 10.1850 10.1850 10.3389 10.3389 12.6576 12.6576 13.3314 13.3314 13.7494 13.7494 16.5051 16.5051 17.2655 17.2655 k = 0.0524 0.0580-0.0000 ( 2789 PWs) bands (ev): -1.5895 -1.5895 0.9993 0.9993 3.6758 3.6758 3.7836 3.7836 3.8390 3.8390 4.3684 4.3684 5.0852 5.0852 5.4496 5.4496 5.6692 5.6692 5.7548 5.7548 5.8012 5.8012 6.7604 6.7604 6.9133 6.9133 8.1033 8.1033 8.7503 8.7503 10.3230 10.3230 10.4312 10.4312 12.7117 12.7117 13.3401 13.3401 13.7365 13.7365 16.4452 16.4452 17.1844 17.1844 k = 0.0612 0.0676-0.0000 ( 2795 PWs) bands (ev): -1.5724 -1.5724 1.0090 1.0090 3.6727 3.6727 3.7779 3.7779 3.8397 3.8397 4.3597 4.3597 5.0756 5.0756 5.4500 5.4500 5.6638 5.6638 5.7494 5.7494 5.7962 5.7962 6.7232 6.7232 6.9333 6.9333 7.9911 7.9911 8.6827 8.6827 10.4612 10.4612 10.5235 10.5235 12.7775 12.7775 13.3525 13.3525 13.7227 13.7227 16.3788 16.3788 17.1021 17.1021 k = 0.0699 0.0773-0.0000 ( 2791 PWs) bands (ev): -1.5528 -1.5528 1.0199 1.0199 3.6691 3.6691 3.7720 3.7720 3.8399 3.8399 4.3501 4.3501 5.0647 5.0647 5.4502 5.4502 5.6566 5.6566 5.7438 5.7438 5.7907 5.7907 6.6762 6.6762 6.9628 6.9628 7.8780 7.8780 8.6209 8.6209 10.5861 10.5861 10.6231 10.6231 12.8547 12.8547 13.3699 13.3699 13.7094 13.7094 16.3071 16.3071 17.0194 17.0194 k = 0.0786 0.0870-0.0000 ( 2791 PWs) bands (ev): -1.5307 -1.5307 1.0318 1.0318 3.6650 3.6650 3.7657 3.7657 3.8396 3.8396 4.3397 4.3397 5.0525 5.0525 5.4501 5.4501 5.6475 5.6475 5.7381 5.7381 5.7847 5.7847 6.6233 6.6233 6.9986 6.9986 7.7662 7.7662 8.5648 8.5648 10.6729 10.6729 10.7498 10.7498 12.9413 12.9413 13.3944 13.3944 13.6983 13.6983 16.2310 16.2310 16.9368 16.9368 k = 0.0874 0.0966-0.0000 ( 2803 PWs) bands (ev): -1.5062 -1.5062 1.0447 1.0447 3.6605 3.6605 3.7592 3.7592 3.8388 3.8388 4.3285 4.3285 5.0390 5.0390 5.4494 5.4494 5.6365 5.6365 5.7320 5.7320 5.7786 5.7786 6.5671 6.5671 7.0394 7.0394 7.6571 7.6571 8.5140 8.5140 10.7408 10.7408 10.8802 10.8802 13.0325 13.0325 13.4298 13.4298 13.6924 13.6924 16.1515 16.1515 16.8541 16.8541 k = 0.0961 0.1063-0.0000 ( 2799 PWs) bands (ev): -1.4794 -1.4794 1.0584 1.0584 3.6556 3.6556 3.7525 3.7525 3.8374 3.8374 4.3167 4.3167 5.0246 5.0246 5.4476 5.4476 5.6239 5.6239 5.7254 5.7254 5.7722 5.7722 6.5095 6.5095 7.0841 7.0841 7.5519 7.5519 8.4682 8.4682 10.7962 10.7962 11.0049 11.0049 13.1185 13.1185 13.4831 13.4831 13.6962 13.6962 16.0693 16.0693 16.7710 16.7710 k = 0.1049 0.1160-0.0000 ( 2799 PWs) bands (ev): -1.4503 -1.4503 1.0726 1.0726 3.6502 3.6502 3.7455 3.7455 3.8354 3.8354 4.3045 4.3045 5.0091 5.0091 5.4439 5.4439 5.6105 5.6105 5.7181 5.7181 5.7659 5.7659 6.4519 6.4519 7.1323 7.1323 7.4517 7.4517 8.4268 8.4268 10.8397 10.8397 11.1206 11.1206 13.1846 13.1846 13.5643 13.5643 13.7155 13.7155 15.9848 15.9848 16.6865 16.6865 k = 0.1136 0.1256-0.0000 ( 2797 PWs) bands (ev): -1.4190 -1.4190 1.0873 1.0873 3.6446 3.6446 3.7384 3.7384 3.8328 3.8328 4.2919 4.2919 4.9930 4.9930 5.4374 5.4374 5.5972 5.5972 5.7097 5.7097 5.7594 5.7594 6.3959 6.3959 7.1835 7.1835 7.3570 7.3570 8.3893 8.3893 10.8717 10.8717 11.2253 11.2253 13.2209 13.2209 13.6755 13.6755 13.7584 13.7584 15.8985 15.8985 16.5989 16.5989 k = 0.1223 0.1353-0.0000 ( 2801 PWs) bands (ev): -1.3856 -1.3856 1.1021 1.1021 3.6386 3.6386 3.7311 3.7311 3.8296 3.8296 4.2792 4.2792 4.9762 4.9762 5.4268 5.4268 5.5852 5.5852 5.7000 5.7000 5.7529 5.7529 6.3426 6.3426 7.2374 7.2374 7.2685 7.2685 8.3551 8.3551 10.8928 10.8928 11.3172 11.3172 13.2298 13.2298 13.7876 13.7876 13.8516 13.8516 15.8111 15.8111 16.5061 16.5061 k = 0.1311 0.1450-0.0000 ( 2799 PWs) bands (ev): -1.3502 -1.3502 1.1168 1.1168 3.6324 3.6324 3.7236 3.7236 3.8257 3.8257 4.2664 4.2664 4.9592 4.9592 5.4111 5.4111 5.5756 5.5756 5.6891 5.6891 5.7463 5.7463 6.2931 6.2931 7.1862 7.1862 7.2939 7.2939 8.3239 8.3239 10.9039 10.9039 11.3952 11.3952 13.2190 13.2190 13.8797 13.8797 14.0072 14.0072 15.7231 15.7231 16.4051 16.4051 k = 0.1398 0.1546-0.0000 ( 2795 PWs) bands (ev): -1.3128 -1.3128 1.1311 1.1311 3.6261 3.6261 3.7160 3.7160 3.8213 3.8213 4.2537 4.2537 4.9420 4.9420 5.3899 5.3899 5.5692 5.5692 5.6767 5.6767 5.7395 5.7395 6.2481 6.2481 7.1105 7.1105 7.3524 7.3524 8.2953 8.2953 10.9057 10.9057 11.4588 11.4588 13.1950 13.1950 13.9832 13.9832 14.1851 14.1851 15.6350 15.6350 16.2935 16.2935 k = 0.1486 0.1643-0.0000 ( 2799 PWs) bands (ev): -1.2738 -1.2738 1.1449 1.1449 3.6198 3.6198 3.7082 3.7082 3.8162 3.8162 4.2412 4.2412 4.9250 4.9250 5.3634 5.3634 5.5658 5.5658 5.6629 5.6629 5.7326 5.7326 6.2083 6.2083 7.0414 7.0414 7.4129 7.4129 8.2688 8.2688 10.8993 10.8993 11.5083 11.5083 13.1621 13.1621 14.1028 14.1028 14.3727 14.3727 15.5476 15.5476 16.1697 16.1697 k = 0.1573 0.1740-0.0000 ( 2803 PWs) bands (ev): -1.2330 -1.2330 1.1578 1.1578 3.6135 3.6135 3.7002 3.7002 3.8107 3.8107 4.2291 4.2291 4.9085 4.9085 5.3324 5.3324 5.5648 5.5648 5.6479 5.6479 5.7258 5.7258 6.1738 6.1738 6.9787 6.9787 7.4750 7.4750 8.2442 8.2442 10.8854 10.8854 11.5444 11.5444 13.1229 13.1229 14.2367 14.2367 14.5624 14.5624 15.4620 15.4620 16.0355 16.0355 k = 0.1660 0.1836-0.0000 ( 2803 PWs) bands (ev): -1.1908 -1.1908 1.1694 1.1694 3.6074 3.6074 3.6922 3.6922 3.8048 3.8048 4.2175 4.2175 4.8927 4.8927 5.2981 5.2981 5.5654 5.5654 5.6321 5.6321 5.7192 5.7192 6.1447 6.1447 6.9222 6.9222 7.5385 7.5385 8.2212 8.2212 10.8648 10.8648 11.5683 11.5683 13.0792 13.0792 14.3815 14.3815 14.7437 14.7437 15.3796 15.3796 15.8994 15.8994 k = 0.1748 0.1933-0.0000 ( 2803 PWs) bands (ev): -1.1473 -1.1473 1.1797 1.1797 3.6016 3.6016 3.6841 3.6841 3.7985 3.7985 4.2065 4.2065 4.8778 4.8778 5.2616 5.2616 5.5662 5.5662 5.6166 5.6166 5.7129 5.7129 6.1206 6.1206 6.8714 6.8714 7.6033 7.6033 8.1998 8.1998 10.8382 10.8382 11.5813 11.5813 13.0321 13.0321 14.5321 14.5321 14.8934 14.8934 15.3037 15.3037 15.7844 15.7844 k = 0.1835 0.2029-0.0000 ( 2799 PWs) bands (ev): -1.1026 -1.1026 1.1882 1.1882 3.5964 3.5964 3.6759 3.6759 3.7921 3.7921 4.1963 4.1963 4.8641 4.8641 5.2240 5.2240 5.5647 5.5647 5.6040 5.6040 5.7070 5.7070 6.1010 6.1010 6.8261 6.8261 7.6691 7.6691 8.1796 8.1796 10.8062 10.8062 11.5849 11.5849 12.9823 12.9823 14.6782 14.6782 14.9623 14.9623 15.2427 15.2427 15.7409 15.7409 k = 0.1923 0.2126-0.0000 ( 2799 PWs) bands (ev): -1.0569 -1.0569 1.1947 1.1947 3.5918 3.5918 3.6679 3.6679 3.7857 3.7857 4.1869 4.1869 4.8517 4.8517 5.1862 5.1862 5.5570 5.5570 5.5984 5.5984 5.7016 5.7016 6.0854 6.0854 6.7857 6.7857 7.7356 7.7356 8.1607 8.1607 10.7692 10.7692 11.5805 11.5805 12.9306 12.9306 14.7928 14.7928 14.9098 14.9098 15.2197 15.2197 15.8133 15.8133 k = 0.2010 0.2223-0.0000 ( 2805 PWs) bands (ev): -1.0105 -1.0105 1.1989 1.1989 3.5880 3.5880 3.6601 3.6601 3.7793 3.7793 4.1783 4.1783 4.8406 4.8406 5.1494 5.1494 5.5433 5.5433 5.5996 5.5996 5.6967 5.6967 6.0732 6.0732 6.7499 6.7499 7.8027 7.8027 8.1429 8.1429 10.7279 10.7279 11.5692 11.5692 12.8773 12.8773 14.7451 14.7451 14.8562 14.8562 15.2731 15.2731 15.9726 15.9726 k = 0.2097 0.2319-0.0000 ( 2805 PWs) bands (ev): -0.9635 -0.9635 1.2007 1.2007 3.5853 3.5853 3.6527 3.6527 3.7731 3.7731 4.1708 4.1708 4.8307 4.8307 5.1145 5.1145 5.5272 5.5272 5.6044 5.6044 5.6925 5.6925 6.0637 6.0637 6.7181 6.7181 7.8702 7.8702 8.1263 8.1263 10.6826 10.6826 11.5523 11.5523 12.8228 12.8228 14.5543 14.5543 14.8301 14.8301 15.4002 15.4002 16.1721 16.1721 k = 0.2185 0.2416-0.0000 ( 2809 PWs) bands (ev): -0.9162 -0.9162 1.2000 1.2000 3.5837 3.5837 3.6460 3.6460 3.7672 3.7672 4.1642 4.1642 4.8218 4.8218 5.0826 5.0826 5.5107 5.5107 5.6108 5.6108 5.6889 5.6889 6.0565 6.0565 6.6899 6.6899 7.9376 7.9376 8.1109 8.1109 10.6335 10.6335 11.5308 11.5308 12.7674 12.7674 14.3384 14.3384 14.7764 14.7764 15.5587 15.5587 16.3875 16.3875 k = 0.2272 0.2513-0.0000 ( 2805 PWs) bands (ev): -0.8688 -0.8688 1.1965 1.1965 3.5834 3.5834 3.6402 3.6402 3.7617 3.7617 4.1587 4.1587 4.8135 4.8135 5.0546 5.0546 5.4946 5.4946 5.6179 5.6179 5.6862 5.6862 6.0513 6.0513 6.6650 6.6650 8.0045 8.0045 8.0971 8.0971 10.5811 10.5811 11.5054 11.5054 12.7115 12.7115 14.1108 14.1108 14.7132 14.7132 15.7232 15.7232 16.6063 16.6063 k = 0.2359 0.2609-0.0000 ( 2807 PWs) bands (ev): -0.8215 -0.8215 1.1902 1.1902 3.5846 3.5846 3.6355 3.6355 3.7567 3.7567 4.1541 4.1541 4.8051 4.8051 5.0317 5.0317 5.4793 5.4793 5.6252 5.6252 5.6846 5.6846 6.0476 6.0476 6.6429 6.6429 8.0651 8.0651 8.0907 8.0907 10.5255 10.5255 11.4768 11.4768 12.6551 12.6551 13.8772 13.8772 14.6476 14.6476 15.8798 15.8798 16.8190 16.8190 k = 0.2447 0.2706-0.0000 ( 2799 PWs) bands (ev): -0.7746 -0.7746 1.1811 1.1811 3.5876 3.5876 3.6322 3.6322 3.7522 3.7522 4.1506 4.1506 4.7960 4.7960 5.0149 5.0149 5.4649 5.4649 5.6322 5.6322 5.6845 5.6845 6.0453 6.0453 6.6233 6.6233 8.0681 8.0681 8.1425 8.1425 10.4668 10.4668 11.4458 11.4458 12.5986 12.5986 13.6409 13.6409 14.5826 14.5826 16.0164 16.0164 17.0156 17.0156 k = 0.2534 0.2803-0.0000 ( 2803 PWs) bands (ev): -0.7284 -0.7284 1.1694 1.1694 3.5924 3.5924 3.6303 3.6303 3.7482 3.7482 4.1480 4.1480 4.7857 4.7857 5.0047 5.0047 5.4516 5.4516 5.6383 5.6383 5.6864 5.6864 6.0441 6.0441 6.6059 6.6059 8.0586 8.0586 8.2076 8.2076 10.4051 10.4051 11.4127 11.4127 12.5422 12.5422 13.4038 13.4038 14.5195 14.5195 16.1188 16.1188 17.1868 17.1868 k = 0.2622 0.2899-0.0000 ( 2803 PWs) bands (ev): -0.6831 -0.6831 1.1550 1.1550 3.5996 3.5996 3.6301 3.6301 3.7447 3.7447 4.1464 4.1464 4.7742 4.7742 5.0013 5.0013 5.4395 5.4395 5.6427 5.6427 5.6910 5.6910 6.0439 6.0439 6.5906 6.5906 8.0498 8.0498 8.2726 8.2726 10.3404 10.3404 11.3781 11.3781 12.4860 12.4860 13.1677 13.1677 14.4593 14.4593 16.1719 16.1719 17.3325 17.3325 k = 0.2709 0.2996-0.0000 ( 2811 PWs) bands (ev): -0.6390 -0.6390 1.1382 1.1382 3.6092 3.6092 3.6314 3.6314 3.7419 3.7419 4.1457 4.1457 4.7618 4.7618 5.0044 5.0044 5.4285 5.4285 5.6455 5.6455 5.6984 5.6984 6.0446 6.0446 6.5769 6.5769 8.0427 8.0427 8.3367 8.3367 10.2726 10.2726 11.3422 11.3422 12.4300 12.4300 12.9340 12.9340 14.4023 14.4023 16.1653 16.1653 17.4638 17.4638 k = 0.2796 0.3093-0.0000 ( 2807 PWs) bands (ev): -0.5963 -0.5963 1.1192 1.1192 3.6214 3.6214 3.6346 3.6346 3.7395 3.7395 4.1459 4.1459 4.7491 4.7491 5.0131 5.0131 5.4187 5.4187 5.6468 5.6468 5.7083 5.7083 6.0462 6.0462 6.5647 6.5647 8.0375 8.0375 8.3994 8.3994 10.2013 10.2013 11.3054 11.3054 12.3742 12.3742 12.7042 12.7042 14.3490 14.3490 16.0985 16.0985 17.5917 17.5917 k = 0.2884 0.3189-0.0000 ( 2803 PWs) bands (ev): -0.5552 -0.5552 1.0982 1.0982 3.6333 3.6333 3.6425 3.6425 3.7377 3.7377 4.1469 4.1469 4.7367 4.7367 5.0266 5.0266 5.4101 5.4101 5.6471 5.6471 5.7201 5.7201 6.0485 6.0485 6.5540 6.5540 8.0346 8.0346 8.4607 8.4607 10.1263 10.1263 11.2679 11.2679 12.3172 12.3172 12.4810 12.4810 14.2996 14.2996 15.9811 15.9811 17.7199 17.7199 k = 0.2971 0.3286-0.0000 ( 2803 PWs) bands (ev): -0.5160 -0.5160 1.0754 1.0754 3.6398 3.6398 3.6606 3.6606 3.7364 3.7364 4.1488 4.1488 4.7251 4.7251 5.0439 5.0439 5.4028 5.4028 5.6470 5.6470 5.7334 5.7334 6.0516 6.0516 6.5444 6.5444 8.0342 8.0342 8.5202 8.5202 10.0470 10.0470 11.2299 11.2299 12.2314 12.2314 12.2933 12.2933 14.2542 14.2542 15.8264 15.8264 17.8471 17.8471 k = 0.3059 0.3382-0.0000 ( 2807 PWs) bands (ev): -0.4789 -0.4789 1.0512 1.0512 3.6452 3.6452 3.6845 3.6845 3.7357 3.7357 4.1514 4.1514 4.7148 4.7148 5.0642 5.0642 5.3967 5.3967 5.6465 5.6465 5.7480 5.7480 6.0555 6.0555 6.5359 6.5359 8.0367 8.0367 8.5778 8.5778 9.9628 9.9628 11.1916 11.1916 12.0365 12.0365 12.2228 12.2228 14.2128 14.2128 15.6464 15.6464 17.9710 17.9710 k = 0.3146 0.3479-0.0000 ( 2811 PWs) bands (ev): -0.4439 -0.4439 1.0259 1.0259 3.6507 3.6507 3.7128 3.7128 3.7356 3.7356 4.1548 4.1548 4.7059 4.7059 5.0869 5.0869 5.3919 5.3919 5.6460 5.6460 5.7635 5.7635 6.0602 6.0602 6.5285 6.5285 8.0425 8.0425 8.6334 8.6334 9.8728 9.8728 11.1530 11.1530 11.8338 11.8338 12.1698 12.1698 14.1755 14.1755 15.4504 15.4504 18.0909 18.0909 k = 0.3233 0.3576-0.0000 ( 2811 PWs) bands (ev): -0.4113 -0.4113 0.9997 0.9997 3.6562 3.6562 3.7351 3.7351 3.7465 3.7465 4.1590 4.1590 4.6988 4.6988 5.1110 5.1110 5.3886 5.3886 5.6453 5.6453 5.7799 5.7799 6.0658 6.0658 6.5219 6.5219 8.0519 8.0519 8.6866 8.6866 9.7760 9.7760 11.1142 11.1142 11.6395 11.6395 12.1197 12.1197 14.1418 14.1418 15.2451 15.2451 18.2068 18.2068 k = 0.3321 0.3672-0.0000 ( 2817 PWs) bands (ev): -0.3811 -0.3811 0.9730 0.9730 3.6616 3.6616 3.7361 3.7361 3.7835 3.7835 4.1639 4.1639 4.6935 4.6935 5.1361 5.1361 5.3869 5.3869 5.6447 5.6447 5.7969 5.7969 6.0722 6.0722 6.5162 6.5162 8.0655 8.0655 8.7373 8.7373 9.6716 9.6716 11.0752 11.0752 11.4561 11.4561 12.0714 12.0714 14.1113 14.1113 15.0357 15.0357 18.3183 18.3183 k = 0.3408 0.3769-0.0000 ( 2821 PWs) bands (ev): -0.3534 -0.3534 0.9460 0.9460 3.6669 3.6669 3.7373 3.7373 3.8250 3.8250 4.1697 4.1697 4.6902 4.6902 5.1615 5.1615 5.3868 5.3868 5.6441 5.6441 5.8143 5.8143 6.0795 6.0795 6.5113 6.5113 8.0836 8.0836 8.7854 8.7854 9.5585 9.5585 11.0360 11.0360 11.2852 11.2852 12.0250 12.0250 14.0825 14.0825 14.8267 14.8267 18.4243 18.4243 k = 0.3496 0.3866-0.0000 ( 2817 PWs) bands (ev): -0.3282 -0.3282 0.9189 0.9189 3.6718 3.6718 3.7388 3.7388 3.8701 3.8701 4.1763 4.1763 4.6891 4.6891 5.1866 5.1866 5.3887 5.3887 5.6436 5.6436 5.8320 5.8320 6.0876 6.0876 6.5070 6.5070 8.1067 8.1067 8.8306 8.8306 9.4364 9.4364 10.9964 10.9964 11.1279 11.1279 11.9803 11.9803 14.0523 14.0523 14.6234 14.6234 18.5200 18.5200 k = 0.3583 0.3962-0.0000 ( 2817 PWs) bands (ev): -0.3054 -0.3054 0.8922 0.8922 3.6764 3.6764 3.7406 3.7406 3.9180 3.9180 4.1839 4.1839 4.6905 4.6905 5.2109 5.2109 5.3927 5.3927 5.6433 5.6433 5.8495 5.8495 6.0966 6.0966 6.5035 6.5035 8.1352 8.1352 8.8724 8.8724 9.3050 9.3050 10.9564 10.9564 10.9852 10.9852 11.9376 11.9376 14.0131 14.0131 14.4356 14.4356 18.5894 18.5894 k = 0.3670 0.4059-0.0000 ( 2827 PWs) bands (ev): -0.2850 -0.2850 0.8659 0.8659 3.6805 3.6805 3.7427 3.7427 3.9677 3.9677 4.1927 4.1927 4.6946 4.6946 5.2340 5.2340 5.3991 5.3991 5.6433 5.6433 5.8668 5.8668 6.1063 6.1063 6.5006 6.5006 8.1695 8.1695 8.9093 8.9093 9.1663 9.1663 10.8567 10.8567 10.9160 10.9160 11.8968 11.8968 13.9453 13.9453 14.2840 14.2840 18.5945 18.5945 k = 0.3758 0.4156-0.0000 ( 2827 PWs) bands (ev): -0.2670 -0.2670 0.8403 0.8403 3.6843 3.6843 3.7450 3.7450 4.0175 4.0175 4.2031 4.2031 4.7020 4.7020 5.2557 5.2557 5.4084 5.4084 5.6438 5.6438 5.8835 5.8835 6.1165 6.1165 6.4983 6.4983 8.2099 8.2099 8.9276 8.9276 9.0342 9.0342 10.7427 10.7427 10.8745 10.8745 11.8581 11.8581 13.8251 13.8251 14.1936 14.1936 18.5263 18.5263 k = 0.3845 0.4252-0.0000 ( 2817 PWs) bands (ev): -0.2510 -0.2510 0.8157 0.8157 3.6876 3.6876 3.7474 3.7474 4.0651 4.0651 4.2160 4.2160 4.7130 4.7130 5.2757 5.2757 5.4207 5.4207 5.6449 5.6449 5.8995 5.8995 6.1271 6.1271 6.4966 6.4966 8.2566 8.2566 8.8323 8.8323 9.0051 9.0051 10.6423 10.6423 10.8319 10.8319 11.8216 11.8216 13.6642 13.6642 14.1538 14.1538 18.4273 18.4273 k = 0.3932 0.4349-0.0000 ( 2817 PWs) bands (ev): -0.2372 -0.2372 0.7921 0.7921 3.6906 3.6906 3.7499 3.7499 4.1077 4.1077 4.2324 4.2324 4.7283 4.7283 5.2940 5.2940 5.4363 5.4363 5.6473 5.6473 5.9147 5.9147 6.1379 6.1379 6.4953 6.4953 8.3096 8.3096 8.6741 8.6741 9.0299 9.0299 10.5543 10.5543 10.7877 10.7877 11.7873 11.7873 13.4892 13.4892 14.1388 14.1388 18.3211 18.3211 k = 0.4020 0.4445-0.0000 ( 2817 PWs) bands (ev): -0.2253 -0.2253 0.7699 0.7699 3.6933 3.6933 3.7524 3.7524 4.1423 4.1423 4.2535 4.2535 4.7481 4.7481 5.3107 5.3107 5.4553 5.4553 5.6517 5.6517 5.9291 5.9291 6.1485 6.1485 6.4944 6.4944 8.3684 8.3684 8.5057 8.5057 9.0574 9.0574 10.4776 10.4776 10.7416 10.7416 11.7553 11.7553 13.3138 13.3138 14.1358 14.1358 18.2157 18.2157 k = 0.4107 0.4542-0.0000 ( 2813 PWs) bands (ev): -0.2151 -0.2151 0.7490 0.7490 3.6956 3.6956 3.7547 3.7547 4.1679 4.1679 4.2785 4.2785 4.7725 4.7725 5.3259 5.3259 5.4774 5.4774 5.6595 5.6595 5.9427 5.9427 6.1587 6.1587 6.4939 6.4939 8.3308 8.3308 8.4351 8.4351 9.0836 9.0836 10.4109 10.4109 10.6932 10.6932 11.7256 11.7256 13.1443 13.1443 14.1396 14.1396 18.1142 18.1142 k = 0.4195 0.4639-0.0000 ( 2805 PWs) bands (ev): -0.2065 -0.2065 0.7297 0.7297 3.6977 3.6977 3.7570 3.7570 4.1863 4.1863 4.3044 4.3044 4.8007 4.8007 5.3396 5.3396 5.5010 5.5010 5.6732 5.6732 5.9558 5.9558 6.1684 6.1684 6.4936 6.4936 8.1555 8.1555 8.5049 8.5049 9.1079 9.1079 10.3532 10.3532 10.6419 10.6419 11.6984 11.6984 12.9839 12.9839 14.1475 14.1475 18.0184 18.0184 k = 0.4282 0.4735-0.0000 ( 2805 PWs) bands (ev): -0.1993 -0.1993 0.7121 0.7121 3.6995 3.6995 3.7590 3.7590 4.2001 4.2001 4.3282 4.3282 4.8313 4.8313 5.3518 5.3518 5.5238 5.5238 5.6963 5.6963 5.9690 5.9690 6.1774 6.1774 6.4935 6.4935 7.9789 7.9789 8.5793 8.5793 9.1303 9.1303 10.3036 10.3036 10.5877 10.5877 11.6737 11.6737 12.8350 12.8350 14.1582 14.1582 17.9292 17.9292 k = 0.4369 0.4832-0.0000 ( 2813 PWs) bands (ev): -0.1934 -0.1934 0.6962 0.6962 3.7011 3.7011 3.7609 3.7609 4.2110 4.2110 4.3481 4.3481 4.8624 4.8624 5.3626 5.3626 5.5424 5.5424 5.7321 5.7321 5.9831 5.9831 6.1857 6.1857 6.4935 6.4935 7.8028 7.8028 8.6567 8.6567 9.1512 9.1512 10.2612 10.2612 10.5304 10.5304 11.6515 11.6515 12.6995 12.6995 14.1704 14.1704 17.8478 17.8478 k = 0.4457 0.4929-0.0000 ( 2817 PWs) bands (ev): -0.1885 -0.1885 0.6822 0.6822 3.7025 3.7025 3.7626 3.7626 4.2200 4.2200 4.3639 4.3639 4.8919 4.8919 5.3719 5.3719 5.5555 5.5555 5.7806 5.7806 6.0001 6.0001 6.1936 6.1936 6.4936 6.4936 7.6284 7.6284 8.7349 8.7349 9.1709 9.1709 10.2253 10.2253 10.4705 10.4705 11.6319 11.6319 12.5790 12.5790 14.1832 14.1832 17.7749 17.7749 k = 0.4544 0.5025-0.0000 ( 2821 PWs) bands (ev): -0.1847 -0.1847 0.6702 0.6702 3.7037 3.7037 3.7640 3.7640 4.2275 4.2275 4.3758 4.3758 4.9183 4.9183 5.3797 5.3797 5.5639 5.5639 5.8359 5.8359 6.0247 6.0247 6.2015 6.2015 6.4936 6.4936 7.4573 7.4573 8.8112 8.8112 9.1900 9.1900 10.1955 10.1955 10.4090 10.4090 11.6150 11.6150 12.4748 12.4748 14.1958 14.1958 17.7113 17.7113 k = 0.4544 0.5025-0.0000 ( 2821 PWs) bands (ev): -0.1847 -0.1847 0.6702 0.6702 3.7037 3.7037 3.7640 3.7640 4.2275 4.2275 4.3758 4.3758 4.9183 4.9183 5.3797 5.3797 5.5639 5.5639 5.8359 5.8359 6.0247 6.0247 6.2015 6.2015 6.4936 6.4936 7.4573 7.4573 8.8112 8.8112 9.1900 9.1900 10.1955 10.1955 10.4090 10.4090 11.6150 11.6150 12.4748 12.4748 14.1958 14.1958 17.7113 17.7113 k = 0.4414 0.5025-0.0000 ( 2821 PWs) bands (ev): -0.1875 -0.1875 0.6778 0.6778 3.7028 3.7028 3.7630 3.7630 4.2197 4.2197 4.3699 4.3699 4.9011 4.9011 5.3744 5.3744 5.5584 5.5584 5.7984 5.7984 6.0058 6.0058 6.1969 6.1969 6.4959 6.4959 7.5724 7.5724 8.7612 8.7612 9.1777 9.1777 10.2075 10.2075 10.4618 10.4618 11.6208 11.6208 12.5443 12.5443 14.1937 14.1937 17.7532 17.7532 k = 0.4285 0.5025-0.0000 ( 2813 PWs) bands (ev): -0.1912 -0.1912 0.6858 0.6858 3.7015 3.7015 3.7619 3.7619 4.2061 4.2061 4.3649 4.3649 4.8825 4.8825 5.3680 5.3680 5.5502 5.5502 5.7627 5.7627 5.9883 5.9883 6.1940 6.1940 6.5020 6.5020 7.6914 7.6914 8.7114 8.7114 9.1672 9.1672 10.2085 10.2085 10.5353 10.5353 11.6175 11.6175 12.6243 12.6243 14.2040 14.2040 17.8004 17.8004 k = 0.4155 0.5025-0.0000 ( 2805 PWs) bands (ev): -0.1958 -0.1958 0.6941 0.6941 3.6999 3.6999 3.7605 3.7605 4.1881 4.1881 4.3589 4.3589 4.8637 4.8637 5.3605 5.3605 5.5390 5.5390 5.7321 5.7321 5.9706 5.9706 6.1919 6.1919 6.5108 6.5108 7.8139 7.8139 8.6638 8.6638 9.1591 9.1591 10.2026 10.2026 10.6243 10.6243 11.6054 11.6054 12.7142 12.7142 14.2264 14.2264 17.8527 17.8527 k = 0.4025 0.5025-0.0000 ( 2805 PWs) bands (ev): -0.2012 -0.2012 0.7026 0.7026 3.6980 3.6980 3.7588 3.7588 4.1670 4.1670 4.3501 4.3501 4.8458 4.8458 5.3519 5.3519 5.5248 5.5248 5.7079 5.7079 5.9521 5.9521 6.1905 6.1905 6.5211 6.5211 7.9395 7.9395 8.6201 8.6201 9.1535 9.1535 10.1934 10.1934 10.7243 10.7243 11.5853 11.5853 12.8130 12.8130 14.2606 14.2606 17.9098 17.9098 k = 0.3895 0.5025-0.0000 ( 2808 PWs) bands (ev): -0.2073 -0.2073 0.7112 0.7112 3.6957 3.6957 3.7569 3.7569 4.1437 4.1437 4.3375 4.3375 4.8295 4.8295 5.3422 5.3422 5.5082 5.5082 5.6899 5.6899 5.9330 5.9330 6.1891 6.1891 6.5316 6.5316 8.0678 8.0678 8.5819 8.5819 9.1505 9.1505 10.1829 10.1829 10.8321 10.8321 11.5584 11.5584 12.9201 12.9201 14.3058 14.3058 17.9714 17.9714 k = 0.3765 0.5025-0.0000 ( 2808 PWs) bands (ev): -0.2140 -0.2140 0.7197 0.7197 3.6931 3.6931 3.7546 3.7546 4.1191 4.1191 4.3203 4.3203 4.8158 4.8158 5.3316 5.3316 5.4905 5.4905 5.6770 5.6770 5.9134 5.9134 6.1877 6.1877 6.5412 6.5412 8.1982 8.1982 8.5511 8.5511 9.1499 9.1499 10.1730 10.1730 10.9449 10.9449 11.5268 11.5268 13.0347 13.0347 14.3614 14.3614 18.0369 18.0369 k = 0.3635 0.5025-0.0000 ( 2808 PWs) bands (ev): -0.2212 -0.2212 0.7281 0.7281 3.6902 3.6902 3.7519 3.7519 4.0934 4.0934 4.2988 4.2988 4.8047 4.8047 5.3202 5.3202 5.4726 5.4726 5.6677 5.6677 5.8936 5.8936 6.1858 6.1858 6.5487 6.5487 8.3294 8.3294 8.5297 8.5297 9.1517 9.1517 10.1648 10.1648 11.0583 11.0583 11.4947 11.4947 13.1563 13.1563 14.4264 14.4264 18.1051 18.1051 k = 0.3506 0.5025-0.0000 ( 2810 PWs) bands (ev): -0.2288 -0.2288 0.7364 0.7364 3.6870 3.6870 3.7488 3.7488 4.0673 4.0673 4.2733 4.2733 4.7963 4.7963 5.3082 5.3082 5.4555 5.4555 5.6610 5.6610 5.8739 5.8739 6.1835 6.1835 6.5533 6.5533 8.4528 8.4528 8.5267 8.5267 9.1556 9.1556 10.1593 10.1593 11.1621 11.1621 11.4725 11.4725 13.2841 13.2841 14.4999 14.4999 18.1728 18.1728 k = 0.3376 0.5025-0.0000 ( 2812 PWs) bands (ev): -0.2368 -0.2368 0.7443 0.7443 3.6834 3.6834 3.7453 3.7453 4.0408 4.0408 4.2449 4.2449 4.7899 4.7899 5.2961 5.2961 5.4394 5.4394 5.6559 5.6559 5.8546 5.8546 6.1804 6.1804 6.5543 6.5543 8.4968 8.4968 8.6138 8.6138 9.1615 9.1615 10.1576 10.1576 11.2276 11.2276 11.4892 11.4892 13.4176 13.4176 14.5812 14.5812 18.2265 18.2265 k = 0.3246 0.5025-0.0000 ( 2813 PWs) bands (ev): -0.2451 -0.2451 0.7519 0.7519 3.6795 3.6795 3.7412 3.7412 4.0143 4.0143 4.2144 4.2144 4.7851 4.7851 5.2841 5.2841 5.4246 5.4246 5.6519 5.6519 5.8357 5.8357 6.1766 6.1766 6.5512 6.5512 8.5067 8.5067 8.7452 8.7452 9.1693 9.1693 10.1608 10.1608 11.2289 11.2289 11.5710 11.5710 13.5563 13.5563 14.6693 14.6693 18.1991 18.1991 k = 0.3116 0.5025-0.0000 ( 2815 PWs) bands (ev): -0.2536 -0.2536 0.7591 0.7591 3.6752 3.6752 3.7366 3.7366 3.9879 3.9879 4.1830 4.1830 4.7812 4.7812 5.2724 5.2724 5.4111 5.4111 5.6485 5.6485 5.8174 5.8174 6.1718 6.1718 6.5438 6.5438 8.5232 8.5232 8.8791 8.8791 9.1789 9.1789 10.1704 10.1704 11.1919 11.1919 11.6926 11.6926 13.6997 13.6997 14.7637 14.7637 18.0417 18.0417 k = 0.2986 0.5025-0.0000 ( 2811 PWs) bands (ev): -0.2622 -0.2622 0.7659 0.7659 3.6706 3.6706 3.7315 3.7315 3.9616 3.9616 4.1517 4.1517 4.7777 4.7777 5.2613 5.2613 5.3989 5.3989 5.6455 5.6455 5.7998 5.7998 6.1661 6.1661 6.5325 6.5325 8.5485 8.5485 9.0114 9.0114 9.1908 9.1908 10.1877 10.1877 11.1402 11.1402 11.8305 11.8305 13.8473 13.8473 14.8635 14.8635 17.8412 17.8412 k = 0.2856 0.5025-0.0000 ( 2811 PWs) bands (ev): -0.2708 -0.2708 0.7721 0.7721 3.6654 3.6654 3.7258 3.7258 3.9357 3.9357 4.1212 4.1212 4.7741 4.7741 5.2508 5.2508 5.3879 5.3879 5.6427 5.6427 5.7830 5.7830 6.1592 6.1592 6.5176 6.5176 8.5822 8.5822 9.1369 9.1369 9.2078 9.2078 10.2148 10.2148 11.0822 11.0822 11.9767 11.9767 13.9984 13.9984 14.9682 14.9682 17.6295 17.6295 k = 0.2727 0.5025-0.0000 ( 2820 PWs) bands (ev): -0.2795 -0.2795 0.7779 0.7779 3.6598 3.6598 3.7197 3.7197 3.9100 3.9100 4.0922 4.0922 4.7702 4.7702 5.2409 5.2409 5.3784 5.3784 5.6400 5.6400 5.7670 5.7670 6.1510 6.1510 6.4998 6.4998 8.6233 8.6233 9.2058 9.2058 9.2777 9.2777 10.2539 10.2539 11.0211 11.0211 12.1282 12.1282 14.1525 14.1525 15.0771 15.0771 17.4141 17.4141 k = 0.2597 0.5025-0.0000 ( 2820 PWs) bands (ev): -0.2882 -0.2882 0.7831 0.7831 3.6537 3.6537 3.7132 3.7132 3.8847 3.8847 4.0652 4.0652 4.7657 4.7657 5.2313 5.2313 5.3704 5.3704 5.6373 5.6373 5.7520 5.7520 6.1415 6.1415 6.4798 6.4798 8.6705 8.6705 9.2249 9.2249 9.3920 9.3920 10.3072 10.3072 10.9586 10.9586 12.2834 12.2834 14.3088 14.3088 15.1899 15.1899 17.1983 17.1983 k = 0.2467 0.5025-0.0000 ( 2818 PWs) bands (ev): -0.2967 -0.2967 0.7877 0.7877 3.6470 3.6470 3.7064 3.7064 3.8599 3.8599 4.0407 4.0407 4.7607 4.7607 5.2218 5.2218 5.3641 5.3641 5.6345 5.6345 5.7378 5.7378 6.1304 6.1304 6.4584 6.4584 8.7223 8.7223 9.2414 9.2414 9.5017 9.5017 10.3766 10.3766 10.8958 10.8958 12.4414 12.4414 14.4663 14.4663 15.3057 15.3057 16.9843 16.9843 k = 0.2337 0.5025-0.0000 ( 2820 PWs) bands (ev): -0.3051 -0.3051 0.7918 0.7918 3.6398 3.6398 3.6995 3.6995 3.8355 3.8355 4.0188 4.0188 4.7551 4.7551 5.2120 5.2120 5.3597 5.3597 5.6315 5.6315 5.7246 5.7246 6.1177 6.1177 6.4366 6.4366 8.7769 8.7769 9.2582 9.2582 9.6035 9.6035 10.4628 10.4628 10.8339 10.8339 12.6013 12.6013 14.6236 14.6236 15.4238 15.4238 16.7749 16.7749 k = 0.2207 0.5025-0.0000 ( 2815 PWs) bands (ev): -0.3133 -0.3133 0.7954 0.7954 3.6321 3.6321 3.6924 3.6924 3.8119 3.8119 3.9995 3.9995 4.7490 4.7490 5.2016 5.2016 5.3575 5.3575 5.6284 5.6284 5.7124 5.7124 6.1033 6.1033 6.4149 6.4149 8.8327 8.8327 9.2756 9.2756 9.6979 9.6979 10.5637 10.5637 10.7754 10.7754 12.7622 12.7622 14.7784 14.7784 15.5431 15.5431 16.5734 16.5734 k = 0.2077 0.5025-0.0000 ( 2813 PWs) bands (ev): -0.3212 -0.3212 0.7984 0.7984 3.6239 3.6239 3.6854 3.6854 3.7891 3.7891 3.9827 3.9827 4.7426 4.7426 5.1903 5.1903 5.3574 5.3574 5.6250 5.6250 5.7012 5.7012 6.0872 6.0872 6.3941 6.3941 8.8880 8.8880 9.2936 9.2936 9.7867 9.7867 10.6543 10.6543 10.7441 10.7441 12.9232 12.9232 14.9265 14.9265 15.6613 15.6613 16.3863 16.3863 k = 0.1948 0.5025-0.0000 ( 2809 PWs) bands (ev): -0.3289 -0.3289 0.8009 0.8009 3.6154 3.6154 3.6783 3.6783 3.7674 3.7674 3.9682 3.9682 4.7360 4.7360 5.1781 5.1781 5.3595 5.3595 5.6213 5.6213 5.6911 5.6911 6.0696 6.0696 6.3747 6.3747 8.9410 8.9410 9.3122 9.3122 9.8727 9.8727 10.6334 10.6334 10.8395 10.8395 13.0830 13.0830 15.0600 15.0600 15.7723 15.7723 16.2273 16.2273 k = 0.1818 0.5025-0.0000 ( 2813 PWs) bands (ev): -0.3362 -0.3362 0.8030 0.8030 3.6067 3.6067 3.6712 3.6712 3.7471 3.7471 3.9559 3.9559 4.7296 4.7296 5.1649 5.1649 5.3635 5.3635 5.6174 5.6174 5.6820 5.6820 6.0505 6.0505 6.3569 6.3569 8.9906 8.9906 9.3313 9.3313 9.9581 9.9581 10.5811 10.5811 10.9800 10.9800 13.2399 13.2399 15.1619 15.1619 15.8559 15.8559 16.1328 16.1328 k = 0.1688 0.5025-0.0000 ( 2818 PWs) bands (ev): -0.3432 -0.3432 0.8046 0.8046 3.5981 3.5981 3.6637 3.6637 3.7286 3.7286 3.9454 3.9454 4.7233 4.7233 5.1507 5.1507 5.3692 5.3692 5.6133 5.6133 5.6740 5.6740 6.0304 6.0304 6.3408 6.3408 9.0357 9.0357 9.3510 9.3510 10.0437 10.0437 10.5294 10.5294 11.1324 11.1324 13.3917 13.3917 15.2032 15.2032 15.8887 15.8887 16.1541 16.1541 k = 0.1558 0.5025-0.0000 ( 2817 PWs) bands (ev): -0.3498 -0.3498 0.8059 0.8059 3.5898 3.5898 3.6557 3.6557 3.7122 3.7122 3.9366 3.9366 4.7175 4.7175 5.1359 5.1359 5.3763 5.3763 5.6091 5.6091 5.6670 5.6670 6.0096 6.0096 6.3266 6.3266 9.0758 9.0758 9.3714 9.3714 10.1275 10.1275 10.4844 10.4844 11.2921 11.2921 13.5352 13.5352 15.1641 15.1641 15.9304 15.9304 16.2494 16.2494 k = 0.1428 0.5025-0.0000 ( 2818 PWs) bands (ev): -0.3560 -0.3560 0.8068 0.8068 3.5818 3.5818 3.6468 3.6468 3.6983 3.6983 3.9291 3.9291 4.7122 4.7122 5.1205 5.1205 5.3845 5.3845 5.6048 5.6048 5.6609 5.6609 5.9885 5.9885 6.3141 6.3141 9.1107 9.1107 9.3923 9.3923 10.2005 10.2005 10.4563 10.4563 11.4570 11.4570 13.6655 13.6655 15.0669 15.0669 16.0084 16.0084 16.3646 16.3646 k = 0.1298 0.5025-0.0000 ( 2810 PWs) bands (ev): -0.3617 -0.3617 0.8074 0.8074 3.5745 3.5745 3.6368 3.6368 3.6871 3.6871 3.9228 3.9228 4.7075 4.7075 5.1049 5.1049 5.3934 5.3934 5.6007 5.6007 5.6555 5.6555 5.9675 5.9675 6.3031 6.3031 9.1405 9.1405 9.4139 9.4139 10.2389 10.2389 10.4690 10.4690 11.6252 11.6252 13.7756 13.7756 14.9487 14.9487 16.0937 16.0937 16.4844 16.4844 k = 0.1169 0.5025-0.0000 ( 2808 PWs) bands (ev): -0.3670 -0.3670 0.8077 0.8077 3.5678 3.5678 3.6261 3.6261 3.6784 3.6784 3.9176 3.9176 4.7036 4.7036 5.0893 5.0893 5.4029 5.4029 5.5968 5.5968 5.6509 5.6509 5.9470 5.9470 6.2937 6.2937 9.1655 9.1655 9.4360 9.4360 10.2308 10.2308 10.5338 10.5338 11.7953 11.7953 13.8554 13.8554 14.8353 14.8353 16.1547 16.1547 16.6063 16.6063 k = 0.1039 0.5025-0.0000 ( 2810 PWs) bands (ev): -0.3718 -0.3718 0.8079 0.8079 3.5620 3.5620 3.6150 3.6150 3.6717 3.6717 3.9132 3.9132 4.7004 4.7004 5.0740 5.0740 5.4125 5.4125 5.5934 5.5934 5.6468 5.6468 5.9274 5.9274 6.2855 6.2855 9.1862 9.1862 9.4586 9.4586 10.1996 10.1996 10.6259 10.6259 11.9655 11.9655 13.8937 13.8937 14.7423 14.7423 16.1735 16.1735 16.7329 16.7329 k = 0.0909 0.5025-0.0000 ( 2810 PWs) bands (ev): -0.3760 -0.3760 0.8079 0.8079 3.5571 3.5571 3.6042 3.6042 3.6666 3.6666 3.9095 3.9095 4.6980 4.6980 5.0594 5.0594 5.4219 5.4219 5.5904 5.5904 5.6432 5.6432 5.9091 5.9091 6.2785 6.2785 9.2031 9.2031 9.4815 9.4815 10.1620 10.1620 10.7276 10.7276 12.1339 12.1339 13.8847 13.8847 14.6747 14.6747 16.1600 16.1600 16.8661 16.8661 k = 0.0779 0.5025-0.0000 ( 2808 PWs) bands (ev): -0.3797 -0.3797 0.8078 0.8078 3.5532 3.5532 3.5940 3.5940 3.6626 3.6626 3.9066 3.9066 4.6963 4.6963 5.0458 5.0458 5.4309 5.4309 5.5881 5.5881 5.6400 5.6400 5.8923 5.8923 6.2726 6.2726 9.2167 9.2167 9.5041 9.5041 10.1237 10.1237 10.8307 10.8307 12.2979 12.2979 13.8357 13.8357 14.6230 14.6230 16.1409 16.1409 17.0029 17.0029 k = 0.0649 0.5025-0.0000 ( 2805 PWs) bands (ev): -0.3829 -0.3829 0.8076 0.8076 3.5502 3.5502 3.5846 3.5846 3.6594 3.6594 3.9042 3.9042 4.6951 4.6951 5.0335 5.0335 5.4391 5.4391 5.5865 5.5865 5.6371 5.6371 5.8773 5.8773 6.2678 6.2678 9.2275 9.2275 9.5261 9.5261 10.0873 10.0873 10.9305 10.9305 12.4539 12.4539 13.7646 13.7646 14.5707 14.5707 16.1369 16.1369 17.1370 17.1370 k = 0.0519 0.5025-0.0000 ( 2809 PWs) bands (ev): -0.3855 -0.3855 0.8074 0.8074 3.5484 3.5484 3.5763 3.5763 3.6570 3.6570 3.9023 3.9023 4.6944 4.6944 5.0228 5.0228 5.4462 5.4462 5.5855 5.5855 5.6345 5.6345 5.8646 5.8646 6.2639 6.2639 9.2358 9.2358 9.5467 9.5467 10.0545 10.0545 11.0223 11.0223 12.5966 12.5966 13.6901 13.6901 14.5075 14.5075 16.1552 16.1552 17.2609 17.2609 k = 0.0390 0.5025-0.0000 ( 2805 PWs) bands (ev): -0.3876 -0.3876 0.8072 0.8072 3.5475 3.5475 3.5692 3.5692 3.6552 3.6552 3.9009 3.9009 4.6941 4.6941 5.0141 5.0141 5.4520 5.4520 5.5851 5.5851 5.6324 5.6324 5.8542 5.8542 6.2608 6.2608 9.2419 9.2419 9.5649 9.5649 10.0265 10.0265 11.1017 11.1017 12.7188 12.7188 13.6272 13.6272 14.4344 14.4344 16.1910 16.1910 17.3630 17.3630 k = 0.0260 0.5025-0.0000 ( 2805 PWs) bands (ev): -0.3891 -0.3891 0.8071 0.8071 3.5476 3.5476 3.5633 3.5633 3.6539 3.6539 3.8999 3.8999 4.6940 4.6940 5.0076 5.0076 5.4563 5.4563 5.5850 5.5850 5.6307 5.6307 5.8466 5.8466 6.2587 6.2587 9.2461 9.2461 9.5794 9.5794 10.0049 10.0049 11.1634 11.1634 12.8117 12.8117 13.5853 13.5853 14.3621 14.3621 16.2326 16.2326 17.4242 17.4242 k = 0.0130 0.5025-0.0000 ( 2811 PWs) bands (ev): -0.3899 -0.3899 0.8070 0.8070 3.5484 3.5484 3.5590 3.5590 3.6532 3.6532 3.8993 3.8993 4.6940 4.6940 5.0037 5.0037 5.4589 5.4589 5.5851 5.5851 5.6296 5.6296 5.8420 5.8420 6.2575 6.2575 9.2486 9.2486 9.5889 9.5889 9.9911 9.9911 11.2029 11.2029 12.8684 12.8684 13.5659 13.5659 14.3070 14.3070 16.2657 16.2657 17.4433 17.4433 k = 0.0000 0.5025-0.0000 ( 2814 PWs) bands (ev): -0.3902 -0.3902 0.8070 0.8070 3.5491 3.5491 3.5572 3.5572 3.6529 3.6529 3.8991 3.8991 4.6940 4.6940 5.0023 5.0023 5.4598 5.4598 5.5852 5.5852 5.6292 5.6292 5.8404 5.8404 6.2570 6.2570 9.2494 9.2494 9.5922 9.5922 9.9864 9.9864 11.2165 11.2165 12.8871 12.8871 13.5613 13.5613 14.2861 14.2861 16.2783 16.2783 17.4457 17.4457 k = 0.0000 0.5025-0.0000 ( 2814 PWs) bands (ev): -0.3902 -0.3902 0.8070 0.8070 3.5491 3.5491 3.5572 3.5572 3.6529 3.6529 3.8991 3.8991 4.6940 4.6940 5.0023 5.0023 5.4598 5.4598 5.5852 5.5852 5.6292 5.6292 5.8404 5.8404 6.2570 6.2570 9.2494 9.2494 9.5922 9.5922 9.9864 9.9864 11.2165 11.2165 12.8871 12.8871 13.5613 13.5613 14.2861 14.2861 16.2783 16.2783 17.4457 17.4457 k = 0.0000 0.5025 0.0131 ( 2812 PWs) bands (ev): -0.3892 -0.3892 0.8074 0.8074 3.5483 3.5483 3.5576 3.5576 3.6521 3.6521 3.8991 3.8991 4.6890 4.6890 5.0040 5.0040 5.4588 5.4588 5.5787 5.5787 5.6349 5.6349 5.8459 5.8459 6.2574 6.2574 9.2095 9.2095 9.5898 9.5898 10.0281 10.0281 11.2216 11.2216 12.8872 12.8872 13.5647 13.5647 14.2888 14.2888 16.2721 16.2721 17.3586 17.3586 k = 0.0000 0.5025 0.0262 ( 2808 PWs) bands (ev): -0.3862 -0.3862 0.8087 0.8087 3.5463 3.5463 3.5586 3.5586 3.6498 3.6498 3.8991 3.8991 4.6746 4.6746 5.0084 5.0084 5.4559 5.4559 5.5658 5.5658 5.6454 5.6454 5.8618 5.8618 6.2586 6.2586 9.1071 9.1071 9.5878 9.5878 10.1304 10.1304 11.2374 11.2374 12.8875 12.8875 13.5751 13.5751 14.2970 14.2970 16.2539 16.2539 17.2209 17.2209 k = 0.0000 0.5025 0.0393 ( 2814 PWs) bands (ev): -0.3812 -0.3812 0.8107 0.8107 3.5433 3.5433 3.5596 3.5596 3.6459 3.6459 3.8992 3.8992 4.6525 4.6525 5.0145 5.0145 5.4510 5.4510 5.5535 5.5535 5.6550 5.6550 5.8862 5.8862 6.2610 6.2610 8.9711 8.9711 9.5901 9.5901 10.2591 10.2591 11.2655 11.2655 12.8876 12.8876 13.5926 13.5926 14.3107 14.3107 16.2244 16.2244 17.0747 17.0747 k = 0.0000 0.5025 0.0524 ( 2802 PWs) bands (ev): -0.3741 -0.3741 0.8135 0.8135 3.5395 3.5395 3.5605 3.5605 3.6408 3.6408 3.8991 3.8991 4.6252 4.6252 5.0208 5.0208 5.4442 5.4442 5.5440 5.5440 5.6624 5.6624 5.9163 5.9163 6.2650 6.2650 8.8195 8.8195 9.5968 9.5968 10.3936 10.3936 11.3085 11.3085 12.8870 12.8870 13.6175 13.6175 14.3299 14.3299 16.1850 16.1850 16.9258 16.9258 k = 0.0000 0.5025 0.0655 ( 2802 PWs) bands (ev): -0.3650 -0.3650 0.8169 0.8169 3.5344 3.5344 3.5611 3.5611 3.6348 3.6348 3.8991 3.8991 4.5946 4.5946 5.0263 5.0263 5.4362 5.4362 5.5378 5.5378 5.6678 5.6678 5.9488 5.9488 6.2715 6.2715 8.6613 8.6613 9.6075 9.6075 10.5221 10.5221 11.3697 11.3697 12.8851 12.8851 13.6501 13.6501 14.3549 14.3549 16.1370 16.1370 16.7767 16.7767 k = 0.0000 0.5025 0.0786 ( 2802 PWs) bands (ev): -0.3540 -0.3540 0.8207 0.8207 3.5278 3.5278 3.5613 3.5613 3.6285 3.6285 3.8989 3.8989 4.5626 4.5626 5.0302 5.0302 5.4278 5.4278 5.5346 5.5346 5.6717 5.6717 5.9804 5.9804 6.2815 6.2815 8.5011 8.5011 9.6222 9.6222 10.6370 10.6370 11.4524 11.4524 12.8811 12.8811 13.6906 13.6906 14.3858 14.3858 16.0817 16.0817 16.6291 16.6291 k = 0.0000 0.5025 0.0917 ( 2806 PWs) bands (ev): -0.3410 -0.3410 0.8248 0.8248 3.5190 3.5190 3.5612 3.5612 3.6224 3.6224 3.8987 3.8987 4.5307 4.5307 5.0321 5.0321 5.4197 5.4197 5.5338 5.5338 5.6746 5.6746 6.0082 6.0082 6.2960 6.2960 8.3415 8.3415 9.6414 9.6414 10.7343 10.7343 11.5578 11.5578 12.8747 12.8747 13.7390 13.7390 14.4226 14.4226 16.0199 16.0199 16.4850 16.4850 k = 0.0000 0.5025 0.1048 ( 2808 PWs) bands (ev): -0.3260 -0.3260 0.8291 0.8291 3.5074 3.5074 3.5608 3.5608 3.6171 3.6171 3.8983 3.8983 4.5000 4.5000 5.0316 5.0316 5.4124 5.4124 5.5348 5.5348 5.6768 5.6768 6.0299 6.0299 6.3157 6.3157 8.1842 8.1842 9.6655 9.6655 10.8140 10.8140 11.6838 11.6838 12.8655 12.8655 13.7952 13.7952 14.4656 14.4656 15.9519 15.9519 16.3469 16.3469 k = 0.0000 0.5025 0.1179 ( 2812 PWs) bands (ev): -0.3091 -0.3091 0.8332 0.8332 3.4930 3.4930 3.5602 3.5602 3.6132 3.6132 3.8979 3.8979 4.4715 4.4715 5.0286 5.0286 5.4063 5.4063 5.5372 5.5372 5.6783 5.6783 6.0446 6.0446 6.3400 6.3400 8.0303 8.0303 9.6949 9.6949 10.8791 10.8791 11.8256 11.8256 12.8533 12.8533 13.8588 13.8588 14.5148 14.5148 15.8769 15.8769 16.2181 16.2181 k = 0.0000 0.5025 0.1310 ( 2818 PWs) bands (ev): -0.2903 -0.2903 0.8369 0.8369 3.4758 3.4758 3.5595 3.5595 3.6107 3.6107 3.8975 3.8975 4.4455 4.4455 5.0230 5.0230 5.4014 5.4014 5.5407 5.5407 5.6794 5.6794 6.0524 6.0524 6.3676 6.3676 7.8809 7.8809 9.7302 9.7302 10.9337 10.9337 11.9774 11.9774 12.8382 12.8382 13.9294 13.9294 14.5702 14.5702 15.7936 15.7936 16.1026 16.1026 k = 0.0000 0.5025 0.1441 ( 2814 PWs) bands (ev): -0.2697 -0.2697 0.8400 0.8400 3.4564 3.4564 3.5589 3.5589 3.6094 3.6094 3.8970 3.8970 4.4223 4.4223 5.0148 5.0148 5.3978 5.3978 5.5452 5.5452 5.6802 5.6802 6.0545 6.0545 6.3966 6.3966 7.7367 7.7367 9.7719 9.7719 10.9813 10.9813 12.1332 12.1332 12.8209 12.8209 14.0063 14.0063 14.6312 14.6312 15.7018 15.7018 16.0037 16.0037 k = 0.0000 0.5025 0.1572 ( 2814 PWs) bands (ev): -0.2471 -0.2471 0.8420 0.8420 3.4357 3.4357 3.5585 3.5585 3.6091 3.6091 3.8964 3.8964 4.4019 4.4019 5.0039 5.0039 5.3954 5.3954 5.5504 5.5504 5.6806 5.6806 6.0519 6.0519 6.4252 6.4252 7.5987 7.5987 9.8203 9.8203 11.0246 11.0246 12.2866 12.2866 12.8032 12.8032 14.0888 14.0888 14.6962 14.6962 15.6051 15.6051 15.9221 15.9221 k = 0.0000 0.5025 0.1703 ( 2814 PWs) bands (ev): -0.2228 -0.2228 0.8428 0.8428 3.4146 3.4146 3.5583 3.5583 3.6095 3.6095 3.8958 3.8958 4.3843 4.3843 4.9901 4.9901 5.3943 5.3943 5.5561 5.5561 5.6807 5.6807 6.0454 6.0454 6.4517 6.4517 7.4675 7.4675 9.8757 9.8757 11.0654 11.0654 12.4289 12.4289 12.7898 12.7898 14.1761 14.1761 14.7620 14.7620 15.5118 15.5118 15.8556 15.8556 k = 0.0000 0.5025 0.1834 ( 2814 PWs) bands (ev): -0.1967 -0.1967 0.8420 0.8420 3.3941 3.3941 3.5582 3.5582 3.6105 3.6105 3.8952 3.8952 4.3692 4.3692 4.9735 4.9735 5.3943 5.3943 5.5623 5.5623 5.6805 5.6805 6.0358 6.0358 6.4751 6.4751 7.3441 7.3441 9.9383 9.9383 11.1052 11.1052 12.5411 12.5411 12.7959 12.7959 14.2675 14.2675 14.8210 14.8210 15.4351 15.4351 15.8016 15.8016 k = 0.0000 0.5025 0.1965 ( 2810 PWs) bands (ev): -0.1689 -0.1689 0.8393 0.8393 3.3750 3.3750 3.5582 3.5582 3.6119 3.6119 3.8946 3.8946 4.3563 4.3563 4.9539 4.9539 5.3954 5.3954 5.5687 5.5687 5.6800 5.6800 6.0236 6.0236 6.4947 6.4947 7.2292 7.2292 10.0081 10.0081 11.1447 11.1447 12.5914 12.5914 12.8496 12.8496 14.3619 14.3619 14.8599 14.8599 15.3934 15.3934 15.7585 15.7585 k = 0.0000 0.5025 0.2096 ( 2810 PWs) bands (ev): -0.1395 -0.1395 0.8343 0.8343 3.3582 3.3582 3.5584 3.5584 3.6138 3.6138 3.8937 3.8937 4.3454 4.3454 4.9313 4.9313 5.3974 5.3974 5.5751 5.5751 5.6794 5.6794 6.0091 6.0091 6.5099 6.5099 7.1237 7.1237 10.0850 10.0850 11.1846 11.1846 12.5861 12.5861 12.9399 12.9399 14.4576 14.4576 14.8669 14.8669 15.4028 15.4028 15.7267 15.7267 k = 0.0000 0.5025 0.2227 ( 2808 PWs) bands (ev): -0.1084 -0.1084 0.8268 0.8268 3.3443 3.3443 3.5586 3.5586 3.6159 3.6159 3.8926 3.8926 4.3361 4.3361 4.9055 4.9055 5.4004 5.4004 5.5812 5.5812 5.6787 5.6787 5.9925 5.9925 6.5206 6.5206 7.0281 7.0281 10.1689 10.1689 11.2254 11.2254 12.5570 12.5570 13.0305 13.0305 14.5507 14.5507 14.8508 14.8508 15.4582 15.4582 15.7095 15.7095 k = 0.0000 0.5025 0.2358 ( 2812 PWs) bands (ev): -0.0758 -0.0758 0.8166 0.8166 3.3340 3.3340 3.5588 3.5588 3.6184 3.6184 3.8911 3.8911 4.3283 4.3283 4.8765 4.8765 5.4042 5.4042 5.5867 5.5867 5.6781 5.6781 5.9744 5.9744 6.5267 6.5267 6.9430 6.9430 10.2593 10.2593 11.2673 11.2673 12.5176 12.5176 13.1026 13.1026 14.6295 14.6295 14.8431 14.8431 15.5289 15.5289 15.7210 15.7210 k = 0.0000 0.5025 0.2489 ( 2820 PWs) bands (ev): -0.0418 -0.0418 0.8035 0.8035 3.3277 3.3277 3.5588 3.5588 3.6211 3.6211 3.8890 3.8890 4.3219 4.3219 4.8445 4.8445 5.4088 5.4088 5.5912 5.5912 5.6779 5.6779 5.9549 5.9549 6.5284 6.5284 6.8689 6.8689 10.3559 10.3559 11.3107 11.3107 12.4723 12.4723 13.1474 13.1474 14.6732 14.6732 14.8813 14.8813 15.5731 15.5731 15.7879 15.7879 k = 0.0000 0.5025 0.2620 ( 2818 PWs) bands (ev): -0.0064 -0.0064 0.7874 0.7874 3.3258 3.3258 3.5587 3.5587 3.6243 3.6243 3.8861 3.8861 4.3168 4.3168 4.8095 4.8095 5.4140 5.4140 5.5939 5.5939 5.6785 5.6785 5.9346 5.9346 6.5262 6.5262 6.8055 6.8055 10.4581 10.4581 11.3558 11.3558 12.4230 12.4230 13.1601 13.1601 14.6912 14.6912 14.9645 14.9645 15.5886 15.5886 15.9014 15.9014 k = 0.0000 0.5025 0.2751 ( 2814 PWs) bands (ev): 0.0303 0.0303 0.7682 0.7682 3.3283 3.3283 3.5583 3.5583 3.6279 3.6279 3.8820 3.8820 4.3131 4.3131 4.7718 4.7718 5.4199 5.4199 5.5945 5.5945 5.6803 5.6803 5.9140 5.9140 6.5208 6.5208 6.7524 6.7524 10.5654 10.5654 11.4028 11.4028 12.3704 12.3704 13.1403 13.1403 14.7128 14.7128 15.0650 15.0650 15.5978 15.5978 16.0280 16.0280 k = 0.0000 0.5025 0.2882 ( 2812 PWs) bands (ev): 0.0682 0.0682 0.7459 0.7459 3.3351 3.3351 3.5574 3.5574 3.6321 3.6321 3.8764 3.8764 4.3108 4.3108 4.7319 4.7319 5.4264 5.4264 5.5925 5.5925 5.6836 5.6836 5.8936 5.8936 6.5132 6.5132 6.7085 6.7085 10.6769 10.6769 11.4519 11.4519 12.3153 12.3153 13.0911 13.0911 14.7486 14.7486 15.1674 15.1674 15.6113 15.6113 16.1404 16.1404 k = 0.0000 0.5025 0.3013 ( 2814 PWs) bands (ev): 0.1071 0.1071 0.7207 0.7207 3.3461 3.3461 3.5560 3.5560 3.6371 3.6371 3.8690 3.8690 4.3102 4.3102 4.6905 4.6905 5.4334 5.4334 5.5879 5.5879 5.6885 5.6885 5.8741 5.8741 6.5047 6.5047 6.6722 6.6722 10.7920 10.7920 11.5034 11.5034 12.2581 12.2581 13.0177 13.0177 14.7984 14.7984 15.2621 15.2621 15.6341 15.6341 16.2097 16.2097 k = 0.0000 0.5025 0.3144 ( 2808 PWs) bands (ev): 0.1470 0.1470 0.6927 0.6927 3.3609 3.3609 3.5538 3.5538 3.6430 3.6430 3.8594 3.8594 4.3115 4.3115 4.6483 4.6483 5.4408 5.4408 5.5809 5.5809 5.6948 5.6948 5.8556 5.8556 6.4968 6.4968 6.6419 6.6419 10.9096 10.9096 11.5575 11.5575 12.1990 12.1990 12.9259 12.9259 14.8592 14.8592 15.3406 15.3406 15.6700 15.6700 16.2235 16.2235 k = 0.0000 0.5025 0.3275 ( 2804 PWs) bands (ev): 0.1876 0.1876 0.6620 0.6620 3.3787 3.3787 3.5507 3.5507 3.6501 3.6501 3.8474 3.8474 4.3150 4.3150 4.6062 4.6062 5.4488 5.4488 5.5721 5.5721 5.7023 5.7023 5.8385 5.8385 6.4905 6.4905 6.6159 6.6159 11.0287 11.0287 11.6147 11.6147 12.1384 12.1384 12.8211 12.8211 14.9276 14.9276 15.3968 15.3968 15.7183 15.7183 16.2000 16.2000 k = 0.0000 0.5025 0.3406 ( 2808 PWs) bands (ev): 0.2288 0.2288 0.6290 0.6290 3.3988 3.3988 3.5464 3.5464 3.6587 3.6587 3.8329 3.8329 4.3210 4.3210 4.5650 4.5650 5.4572 5.4572 5.5620 5.5620 5.7105 5.7105 5.8227 5.8227 6.4867 6.4867 6.5931 6.5931 11.1478 11.1478 11.6749 11.6749 12.0770 12.0770 12.7076 12.7076 15.0005 15.0005 15.4308 15.4308 15.7719 15.7719 16.1601 16.1601 k = 0.0000 0.5025 0.3537 ( 2806 PWs) bands (ev): 0.2705 0.2705 0.5938 0.5938 3.4203 3.4203 3.5408 3.5408 3.6692 3.6692 3.8159 3.8159 4.3298 4.3298 4.5257 4.5257 5.4661 5.4661 5.5511 5.5511 5.7194 5.7194 5.8083 5.8083 6.4857 6.4857 6.5727 6.5727 11.2652 11.2652 11.7372 11.7372 12.0166 12.0166 12.5891 12.5891 15.0754 15.0754 15.4459 15.4459 15.8209 15.8209 16.1149 16.1149 k = 0.0000 0.5025 0.3668 ( 2804 PWs) bands (ev): 0.3125 0.3125 0.5568 0.5568 3.4420 3.4420 3.5336 3.5336 3.6819 3.6819 3.7968 3.7968 4.3418 4.3418 4.4889 4.4889 5.4754 5.4754 5.5397 5.5397 5.7289 5.7289 5.7949 5.7949 6.4878 6.4878 6.5544 6.5544 11.3788 11.3788 11.7938 11.7938 11.9657 11.9657 12.4686 12.4686 15.1498 15.1498 15.4443 15.4443 15.8605 15.8605 16.0696 16.0696 k = 0.0000 0.5025 0.3800 ( 2804 PWs) bands (ev): 0.3545 0.3545 0.5183 0.5183 3.4628 3.4628 3.5243 3.5243 3.6970 3.6970 3.7761 3.7761 4.3571 4.3571 4.4552 4.4552 5.4851 5.4851 5.5283 5.5283 5.7387 5.7387 5.7825 5.7825 6.4928 6.4928 6.5379 6.5379 11.4865 11.4865 11.8057 11.8057 11.9641 11.9641 12.3491 12.3491 15.2216 15.2216 15.4267 15.4267 15.8923 15.8923 16.0266 16.0266 k = 0.0000 0.5025 0.3931 ( 2804 PWs) bands (ev): 0.3964 0.3964 0.4785 0.4785 3.4819 3.4819 3.5128 3.5128 3.7145 3.7145 3.7549 3.7549 4.3760 4.3760 4.4250 4.4250 5.4953 5.4953 5.5170 5.5170 5.7490 5.7490 5.7707 5.7707 6.5005 6.5005 6.5233 6.5233 11.5860 11.5860 11.7530 11.7530 12.0313 12.0313 12.2338 12.2338 15.2880 15.2880 15.3935 15.3935 15.9215 15.9215 15.9874 15.9874 k = 0.0000 0.5025 0.4062 ( 2800 PWs) bands (ev): 0.4378 0.4378 0.4378 0.4378 3.4987 3.4987 3.4987 3.4987 3.7340 3.7340 3.7340 3.7340 4.3986 4.3986 4.3986 4.3986 5.5060 5.5060 5.5060 5.5060 5.7596 5.7596 5.7596 5.7596 6.5108 6.5108 6.5108 6.5108 11.6757 11.6757 11.6757 11.6757 12.1262 12.1262 12.1262 12.1262 15.3464 15.3464 15.3464 15.3464 15.9525 15.9525 15.9525 15.9525 k = 0.0000 0.5025 0.4062 ( 2800 PWs) bands (ev): 0.4378 0.4378 0.4378 0.4378 3.4987 3.4987 3.4987 3.4987 3.7340 3.7340 3.7340 3.7340 4.3986 4.3986 4.3986 4.3986 5.5060 5.5060 5.5060 5.5060 5.7596 5.7596 5.7596 5.7596 6.5108 6.5108 6.5108 6.5108 11.6757 11.6757 11.6757 11.6757 12.1262 12.1262 12.1262 12.1262 15.3464 15.3464 15.3464 15.3464 15.9525 15.9525 15.9525 15.9525 k = 0.0130 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.4376 0.4376 0.4378 0.4378 3.4958 3.4958 3.5030 3.5030 3.7318 3.7318 3.7373 3.7373 4.3969 4.3969 4.4028 4.4028 5.5022 5.5022 5.5100 5.5100 5.7564 5.7564 5.7637 5.7637 6.5079 6.5079 6.5140 6.5140 11.6124 11.6124 11.6687 11.6687 12.1143 12.1143 12.1896 12.1896 15.2776 15.2776 15.3684 15.3684 15.9230 15.9230 16.0233 16.0233 k = 0.0260 0.5025 0.4062 ( 2812 PWs) bands (ev): 0.4373 0.4373 0.4376 0.4376 3.4943 3.4943 3.5087 3.5087 3.7305 3.7305 3.7414 3.7414 4.3977 4.3977 4.4095 4.4095 5.4986 5.4986 5.5142 5.5142 5.7541 5.7541 5.7686 5.7686 6.5054 6.5054 6.5174 6.5174 11.5091 11.5091 11.5915 11.5915 12.1537 12.1537 12.2738 12.2738 15.1840 15.1840 15.3333 15.3333 15.9472 15.9472 16.1129 16.1129 k = 0.0390 0.5025 0.4062 ( 2814 PWs) bands (ev): 0.4369 0.4369 0.4373 0.4373 3.4942 3.4942 3.5157 3.5157 3.7305 3.7305 3.7464 3.7464 4.4008 4.4008 4.4187 4.4187 5.4954 5.4954 5.5185 5.5185 5.7528 5.7528 5.7744 5.7744 6.5031 6.5031 6.5210 6.5210 11.3855 11.3855 11.4751 11.4751 12.2127 12.2127 12.3580 12.3580 15.0811 15.0811 15.2586 15.2586 16.0109 16.0109 16.2066 16.2066 k = 0.0519 0.5025 0.4062 ( 2812 PWs) bands (ev): 0.4363 0.4363 0.4369 0.4369 3.4956 3.4956 3.5238 3.5238 3.7318 3.7318 3.7524 3.7524 4.4062 4.4062 4.4305 4.4305 5.4925 5.4925 5.5230 5.5230 5.7523 5.7523 5.7811 5.7811 6.5012 6.5012 6.5249 6.5249 11.2504 11.2504 11.3400 11.3400 12.2696 12.2696 12.4315 12.4315 14.9786 14.9786 15.1676 15.1676 16.0947 16.0947 16.2979 16.2979 k = 0.0649 0.5025 0.4062 ( 2814 PWs) bands (ev): 0.4356 0.4356 0.4363 0.4363 3.4982 3.4982 3.5327 3.5327 3.7346 3.7346 3.7592 3.7592 4.4140 4.4140 4.4449 4.4449 5.4901 5.4901 5.5276 5.5276 5.7527 5.7527 5.7886 5.7886 6.4996 6.4996 6.5291 6.5291 11.1079 11.1079 11.1949 11.1949 12.3143 12.3143 12.4881 12.4881 14.8831 14.8831 15.0750 15.0750 16.1882 16.1882 16.3855 16.3855 k = 0.0779 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4347 0.4347 0.4356 0.4356 3.5021 3.5021 3.5422 3.5422 3.7393 3.7393 3.7670 3.7670 4.4239 4.4239 4.4620 4.4620 5.4882 5.4882 5.5323 5.5323 5.7541 5.7541 5.7969 5.7969 6.4984 6.4984 6.5334 6.5334 10.9604 10.9604 11.0440 11.0440 12.3411 12.3411 12.5229 12.5229 14.7998 14.7998 14.9891 14.9891 16.2874 16.2874 16.4705 16.4705 k = 0.0909 0.5025 0.4062 ( 2808 PWs) bands (ev): 0.4337 0.4337 0.4347 0.4347 3.5070 3.5070 3.5520 3.5520 3.7459 3.7459 3.7757 3.7757 4.4360 4.4360 4.4816 4.4816 5.4869 5.4869 5.5372 5.5372 5.7564 5.7564 5.8061 5.8061 6.4977 6.4977 6.5380 6.5380 10.8094 10.8094 10.8895 10.8895 12.3467 12.3467 12.5326 12.5326 14.7325 14.7325 14.9147 14.9147 16.3912 16.3912 16.5552 16.5552 k = 0.1039 0.5025 0.4062 ( 2808 PWs) bands (ev): 0.4326 0.4326 0.4337 0.4337 3.5128 3.5128 3.5617 3.5617 3.7549 3.7549 3.7856 3.7856 4.4502 4.4502 4.5039 4.5039 5.4863 5.4863 5.5423 5.5423 5.7596 5.7596 5.8161 5.8161 6.4973 6.4973 6.5428 6.5428 10.6561 10.6561 10.7327 10.7327 12.3296 12.3296 12.5153 12.5153 14.6833 14.6833 14.8542 14.8542 16.4996 16.4996 16.6418 16.6418 k = 0.1169 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4313 0.4313 0.4326 0.4326 3.5193 3.5193 3.5710 3.5710 3.7665 3.7665 3.7966 3.7966 4.4664 4.4664 4.5286 4.5286 5.4864 5.4864 5.5477 5.5477 5.7636 5.7636 5.8269 5.8269 6.4974 6.4974 6.5478 6.5478 10.5013 10.5013 10.5747 10.5747 12.2895 12.2895 12.4711 12.4711 14.6524 14.6524 14.8086 14.8086 16.6128 16.6128 16.7320 16.7320 k = 0.1298 0.5025 0.4062 ( 2812 PWs) bands (ev): 0.4299 0.4299 0.4313 0.4313 3.5264 3.5264 3.5796 3.5796 3.7807 3.7807 3.8090 3.8090 4.4847 4.4847 4.5560 4.5560 5.4874 5.4874 5.5533 5.5533 5.7686 5.7686 5.8386 5.8386 6.4980 6.4980 6.5530 6.5530 10.3456 10.3456 10.4161 10.4161 12.2273 12.2273 12.4018 12.4018 14.6381 14.6381 14.7771 14.7771 16.7309 16.7309 16.8269 16.8269 k = 0.1428 0.5025 0.4062 ( 2804 PWs) bands (ev): 0.4285 0.4285 0.4299 0.4299 3.5339 3.5339 3.5875 3.5875 3.7977 3.7977 3.8226 3.8226 4.5048 4.5048 4.5857 4.5857 5.4894 5.4894 5.5594 5.5594 5.7745 5.7745 5.8511 5.8511 6.4991 6.4991 6.5585 6.5585 10.1896 10.1896 10.2576 10.2576 12.1452 12.1452 12.3105 12.3105 14.6378 14.6378 14.7584 14.7584 16.8537 16.8537 16.9268 16.9268 k = 0.1558 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.4268 0.4268 0.4284 0.4284 3.5415 3.5415 3.5944 3.5944 3.8174 3.8174 3.8377 3.8377 4.5268 4.5268 4.6178 4.6178 5.4925 5.4925 5.5659 5.5659 5.7813 5.7813 5.8645 5.8645 6.5008 6.5008 6.5643 6.5643 10.0338 10.0338 10.0995 10.0995 12.0457 12.0457 12.2010 12.2010 14.6480 14.6480 14.7500 14.7500 16.9806 16.9806 17.0315 17.0315 k = 0.1688 0.5025 0.4062 ( 2808 PWs) bands (ev): 0.4251 0.4251 0.4267 0.4267 3.5491 3.5491 3.6005 3.6005 3.8396 3.8396 3.8543 3.8543 4.5506 4.5506 4.6521 4.6521 5.4967 5.4967 5.5730 5.5730 5.7889 5.7889 5.8789 5.8789 6.5030 6.5030 6.5703 6.5703 9.8786 9.8786 9.9422 9.9422 11.9319 11.9319 12.0770 12.0770 14.6656 14.6656 14.7499 14.7499 17.1107 17.1107 17.1403 17.1403 k = 0.1818 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.4233 0.4233 0.4250 0.4250 3.5566 3.5566 3.6058 3.6058 3.8640 3.8640 3.8724 3.8724 4.5761 4.5761 4.6886 4.6886 5.5022 5.5022 5.5809 5.5809 5.7975 5.7975 5.8941 5.8941 6.5060 6.5060 6.5766 6.5766 9.7242 9.7242 9.7862 9.7862 11.8063 11.8063 11.9419 11.9419 14.6876 14.6876 14.7557 14.7557 17.2426 17.2426 17.2519 17.2519 k = 0.1948 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4214 0.4214 0.4231 0.4231 3.5639 3.5639 3.6104 3.6104 3.8903 3.8903 3.8920 3.8920 4.6031 4.6031 4.7269 4.7269 5.5092 5.5092 5.5896 5.5896 5.8070 5.8070 5.9104 5.9104 6.5096 6.5096 6.5833 6.5833 9.5711 9.5711 9.6317 9.6317 11.6716 11.6716 11.7985 11.7985 14.7121 14.7121 14.7657 14.7657 17.3651 17.3651 17.3749 17.3749 k = 0.2077 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4193 0.4193 0.4211 0.4211 3.5708 3.5708 3.6145 3.6145 3.9131 3.9131 3.9182 3.9182 4.6315 4.6315 4.7668 4.7668 5.5177 5.5177 5.5993 5.5993 5.8175 5.8175 5.9277 5.9277 6.5139 6.5139 6.5904 6.5904 9.4196 9.4196 9.4790 9.4790 11.5299 11.5299 11.6491 11.6491 14.7374 14.7374 14.7784 14.7784 17.4783 17.4783 17.5058 17.5058 k = 0.2207 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4172 0.4172 0.4190 0.4190 3.5774 3.5774 3.6181 3.6181 3.9355 3.9355 3.9474 3.9474 4.6613 4.6613 4.8082 4.8082 5.5279 5.5279 5.6102 5.6102 5.8290 5.8290 5.9461 5.9461 6.5191 6.5191 6.5979 6.5979 9.2698 9.2698 9.3284 9.3284 11.3829 11.3829 11.4955 11.4955 14.7625 14.7625 14.7926 14.7926 17.5902 17.5902 17.6336 17.6336 k = 0.2337 0.5025 0.4062 ( 2804 PWs) bands (ev): 0.4151 0.4151 0.4169 0.4169 3.5835 3.5835 3.6213 3.6213 3.9591 3.9591 3.9775 3.9775 4.6922 4.6922 4.8506 4.8506 5.5399 5.5399 5.6225 5.6225 5.8417 5.8417 5.9657 5.9657 6.5252 6.5252 6.6059 6.6059 9.1221 9.1221 9.1801 9.1801 11.2322 11.2322 11.3392 11.3392 14.7865 14.7865 14.8075 14.8075 17.6993 17.6993 17.7567 17.7567 k = 0.2467 0.5025 0.4062 ( 2800 PWs) bands (ev): 0.4128 0.4128 0.4146 0.4146 3.5891 3.5891 3.6242 3.6242 3.9837 3.9837 4.0082 4.0082 4.7241 4.7241 4.8936 4.8936 5.5538 5.5538 5.6364 5.6364 5.8556 5.8556 5.9865 5.9865 6.5322 6.5322 6.6145 6.6145 8.9767 8.9767 9.0343 9.0343 11.0790 11.0790 11.1812 11.1812 14.8091 14.8091 14.8223 14.8223 17.8050 17.8050 17.8739 17.8739 k = 0.2597 0.5025 0.4062 ( 2802 PWs) bands (ev): 0.4105 0.4105 0.4123 0.4123 3.5943 3.5943 3.6268 3.6268 4.0093 4.0093 4.0392 4.0392 4.7568 4.7568 4.9368 4.9368 5.5696 5.5696 5.6522 5.6522 5.8708 5.8708 6.0086 6.0086 6.5404 6.5404 6.6237 6.6237 8.8338 8.8338 8.8914 8.8914 10.9243 10.9243 11.0225 11.0225 14.8299 14.8299 14.8368 14.8368 17.9064 17.9064 17.9846 17.9846 k = 0.2727 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.4081 0.4081 0.4099 0.4099 3.5991 3.5991 3.6292 3.6292 4.0355 4.0355 4.0702 4.0702 4.7900 4.7900 4.9796 4.9796 5.5875 5.5875 5.6700 5.6700 5.8877 5.8877 6.0323 6.0323 6.5497 6.5497 6.6336 6.6336 8.6937 8.6937 8.7515 8.7515 10.7689 10.7689 10.8640 10.8640 14.8487 14.8487 14.8505 14.8505 18.0036 18.0036 18.0886 18.0886 k = 0.2856 0.5025 0.4062 ( 2804 PWs) bands (ev): 0.4056 0.4056 0.4074 0.4074 3.6035 3.6035 3.6314 3.6314 4.0622 4.0622 4.1009 4.1009 4.8234 4.8234 5.0213 5.0213 5.6074 5.6074 5.6900 5.6900 5.9064 5.9064 6.0575 6.0575 6.5603 6.5603 6.6443 6.6443 8.5567 8.5567 8.6151 8.6151 10.6135 10.6135 10.7061 10.7061 14.8632 14.8632 14.8656 14.8656 18.0965 18.0965 18.1861 18.1861 k = 0.2986 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.4031 0.4031 0.4049 0.4049 3.6076 3.6076 3.6334 3.6334 4.0891 4.0891 4.1310 4.1310 4.8569 4.8569 5.0614 5.0614 5.6293 5.6293 5.7123 5.7123 5.9274 5.9274 6.0844 6.0844 6.5724 6.5724 6.6558 6.6558 8.4230 8.4230 8.4825 8.4825 10.4587 10.4587 10.5494 10.5494 14.8748 14.8748 14.8805 14.8805 18.1854 18.1854 18.2777 18.2777 k = 0.3116 0.5025 0.4062 ( 2814 PWs) bands (ev): 0.4005 0.4005 0.4023 0.4023 3.6113 3.6113 3.6352 3.6352 4.1160 4.1160 4.1603 4.1603 4.8902 4.8902 5.0992 5.0992 5.6531 5.6531 5.7366 5.7366 5.9511 5.9511 6.1133 6.1133 6.5860 6.5860 6.6681 6.6681 8.2931 8.2931 8.3541 8.3541 10.3051 10.3051 10.3945 10.3945 14.8851 14.8851 14.8933 14.8933 18.2708 18.2708 18.3642 18.3642 k = 0.3246 0.5025 0.4062 ( 2804 PWs) bands (ev): 0.3979 0.3979 0.3996 0.3996 3.6147 3.6147 3.6369 3.6369 4.1427 4.1427 4.1885 4.1885 4.9230 4.9230 5.1341 5.1341 5.6786 5.6786 5.7625 5.7625 5.9781 5.9781 6.1443 6.1443 6.6012 6.6012 6.6812 6.6812 8.1673 8.1673 8.2304 8.2304 10.1530 10.1530 10.2416 10.2416 14.8942 14.8942 14.9043 14.9043 18.3530 18.3530 18.4462 18.4462 k = 0.3376 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.3953 0.3953 0.3969 0.3969 3.6178 3.6178 3.6384 3.6384 4.1689 4.1689 4.2154 4.2154 4.9551 4.9551 5.1657 5.1657 5.7054 5.7054 5.7895 5.7895 6.0092 6.0092 6.1775 6.1775 6.6182 6.6182 6.6950 6.6950 8.0462 8.0462 8.1120 8.1120 10.0029 10.0029 10.0911 10.0911 14.9019 14.9019 14.9133 14.9133 18.4324 18.4324 18.5245 18.5245 k = 0.3506 0.5025 0.4062 ( 2810 PWs) bands (ev): 0.3926 0.3926 0.3941 0.3941 3.6206 3.6206 3.6398 3.6398 4.1944 4.1944 4.2407 4.2407 4.9861 4.9861 5.1936 5.1936 5.7330 5.7330 5.8164 5.8164 6.0449 6.0449 6.2133 6.2133 6.6370 6.6370 6.7091 6.7091 7.9304 7.9304 8.0000 8.0000 9.8552 9.8552 9.9434 9.9434 14.9082 14.9082 14.9204 14.9204 18.5093 18.5093 18.5996 18.5996 k = 0.3635 0.5025 0.4062 ( 2802 PWs) bands (ev): 0.3899 0.3899 0.3913 0.3913 3.6232 3.6232 3.6410 3.6410 4.2190 4.2190 4.2644 4.2644 5.0160 5.0160 5.2178 5.2178 5.7610 5.7610 5.8424 5.8424 6.0857 6.0857 6.2517 6.2517 6.6574 6.6574 6.7230 6.7230 7.8208 7.8208 7.8953 7.8953 9.7102 9.7102 9.7988 9.7988 14.9131 14.9131 14.9258 14.9258 18.5840 18.5840 18.6719 18.6719 k = 0.3765 0.5025 0.4062 ( 2802 PWs) bands (ev): 0.3871 0.3871 0.3885 0.3885 3.6256 3.6256 3.6421 3.6421 4.2425 4.2425 4.2862 4.2862 5.0444 5.0444 5.2382 5.2382 5.7888 5.7888 5.8667 5.8667 6.1314 6.1314 6.2929 6.2929 6.6792 6.6792 6.7358 6.7358 7.7186 7.7186 7.7995 7.7995 9.5684 9.5684 9.6577 9.6577 14.9165 14.9165 14.9294 14.9294 18.6567 18.6567 18.7416 18.7416 k = 0.3895 0.5025 0.4062 ( 2804 PWs) bands (ev): 0.3843 0.3843 0.3856 0.3856 3.6278 3.6278 3.6431 3.6431 4.2646 4.2646 4.3061 4.3061 5.0713 5.0713 5.2549 5.2549 5.8156 5.8156 5.8887 5.8887 6.1815 6.1815 6.3369 6.3369 6.7017 6.7017 6.7463 6.7463 7.6256 7.6256 7.7147 7.7147 9.4300 9.4300 9.5203 9.5203 14.9186 14.9186 14.9312 14.9312 18.7273 18.7273 18.8090 18.8090 k = 0.4025 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.3815 0.3815 0.3827 0.3827 3.6298 3.6298 3.6439 3.6439 4.2852 4.2852 4.3239 4.3239 5.0965 5.0965 5.2682 5.2682 5.8409 5.8409 5.9081 5.9081 6.2348 6.2348 6.3836 6.3836 6.7237 6.7237 6.7523 6.7523 7.5440 7.5440 7.6435 7.6435 9.2956 9.2956 9.3870 9.3870 14.9193 14.9193 14.9314 14.9314 18.7959 18.7959 18.8741 18.8741 k = 0.4155 0.5025 0.4062 ( 2808 PWs) bands (ev): 0.3787 0.3787 0.3797 0.3797 3.6317 3.6317 3.6446 3.6446 4.3042 4.3042 4.3395 4.3395 5.1199 5.1199 5.2783 5.2783 5.8641 5.8641 5.9247 5.9247 6.2895 6.2895 6.4327 6.4327 6.7435 6.7435 6.7519 6.7519 7.4773 7.4773 7.5889 7.5889 9.1656 9.1656 9.2583 9.2583 14.9185 14.9185 14.9300 14.9300 18.8624 18.8624 18.9368 18.9368 k = 0.4285 0.5025 0.4062 ( 2806 PWs) bands (ev): 0.3758 0.3758 0.3768 0.3768 3.6334 3.6334 3.6452 3.6452 4.3212 4.3212 4.3530 4.3530 5.1413 5.1413 5.2853 5.2853 5.8845 5.8845 5.9383 5.9383 6.3435 6.3435 6.4835 6.4835 6.7430 6.7430 6.7587 6.7587 7.4296 7.4296 7.5537 7.5537 9.0405 9.0405 9.1347 9.1347 14.9163 14.9163 14.9271 14.9271 18.9265 18.9265 18.9967 18.9967 k = 0.4414 0.5025 0.4062 ( 2812 PWs) bands (ev): 0.3730 0.3730 0.3738 0.3738 3.6349 3.6349 3.6456 3.6456 4.3363 4.3363 4.3642 4.3642 5.1607 5.1607 5.2895 5.2895 5.9016 5.9016 5.9488 5.9488 6.3938 6.3938 6.5344 6.5344 6.7254 6.7254 6.7678 6.7678 7.4048 7.4048 7.5397 7.5397 8.9211 8.9211 9.0166 9.0166 14.9128 14.9128 14.9226 14.9226 18.9880 18.9880 19.0537 19.0537 k = 0.4544 0.5025 0.4062 ( 2818 PWs) bands (ev): 0.3701 0.3701 0.3708 0.3708 3.6364 3.6364 3.6459 3.6459 4.3493 4.3493 4.3731 4.3731 5.1779 5.1779 5.2911 5.2911 5.9152 5.9152 5.9559 5.9559 6.4365 6.4365 6.5808 6.5808 6.7037 6.7037 6.7719 6.7719 7.4057 7.4057 7.5468 7.5468 8.8082 8.8082 8.9047 8.9047 14.9079 14.9079 14.9166 14.9166 19.0463 19.0463 19.1071 19.1071 k = 0.4544 0.5025 0.4062 ( 2818 PWs) bands (ev): 0.3701 0.3701 0.3708 0.3708 3.6364 3.6364 3.6459 3.6459 4.3493 4.3493 4.3731 4.3731 5.1779 5.1779 5.2911 5.2911 5.9152 5.9152 5.9559 5.9559 6.4365 6.4365 6.5808 6.5808 6.7037 6.7037 6.7719 6.7719 7.4057 7.4057 7.5468 7.5468 8.8082 8.8082 8.9047 8.9047 14.9079 14.9079 14.9166 14.9166 19.0463 19.0463 19.1071 19.1071 k = 0.4457 0.4929 0.4062 ( 2814 PWs) bands (ev): 0.3747 0.3747 0.3756 0.3756 3.6342 3.6342 3.6454 3.6454 4.3300 4.3300 4.3603 4.3603 5.1522 5.1522 5.2896 5.2896 5.8966 5.8966 5.9472 5.9472 6.3744 6.3744 6.5181 6.5181 6.7370 6.7370 6.7736 6.7736 7.3890 7.3890 7.5229 7.5229 8.9775 8.9775 9.0721 9.0721 14.9170 14.9170 14.9274 14.9274 18.9585 18.9585 19.0264 19.0264 k = 0.4369 0.4832 0.4062 ( 2806 PWs) bands (ev): 0.3799 0.3799 0.3810 0.3810 3.6318 3.6318 3.6446 3.6446 4.3077 4.3077 4.3453 4.3453 5.1233 5.1233 5.2858 5.2858 5.8758 5.8758 5.9374 5.9374 6.3032 6.3032 6.4548 6.4548 6.7759 6.7759 6.7861 6.7861 7.3788 7.3788 7.5029 7.5029 9.1564 9.1564 9.2483 9.2483 14.9277 14.9277 14.9396 14.9396 18.8659 18.8659 18.9400 18.9400 k = 0.4282 0.4735 0.4062 ( 2806 PWs) bands (ev): 0.3855 0.3855 0.3868 0.3868 3.6291 3.6291 3.6435 3.6435 4.2823 4.2823 4.3282 4.3282 5.0911 5.0911 5.2796 5.2796 5.8530 5.8530 5.9263 5.9263 6.2289 6.2289 6.3945 6.3945 6.8067 6.8067 6.8185 6.8185 7.3734 7.3734 7.4865 7.4865 9.3427 9.3427 9.4317 9.4317 14.9398 14.9398 14.9532 14.9532 18.7703 18.7703 18.8498 18.8498 k = 0.4195 0.4639 0.4062 ( 2804 PWs) bands (ev): 0.3913 0.3913 0.3928 0.3928 3.6262 3.6262 3.6421 3.6421 4.2541 4.2541 4.3091 4.3091 5.0558 5.0558 5.2711 5.2711 5.8286 5.8286 5.9138 5.9138 6.1563 6.1563 6.3393 6.3393 6.8332 6.8332 6.8642 6.8642 7.3718 7.3718 7.4733 7.4733 9.5350 9.5350 9.6213 9.6213 14.9532 14.9532 14.9679 14.9679 18.6732 18.6732 18.7576 18.7576 k = 0.4107 0.4542 0.4062 ( 2804 PWs) bands (ev): 0.3972 0.3972 0.3990 0.3990 3.6229 3.6229 3.6403 3.6403 4.2231 4.2231 4.2881 4.2881 5.0177 5.0177 5.2600 5.2600 5.8032 5.8032 5.8992 5.8992 6.0891 6.0891 6.2901 6.2901 6.8636 6.8636 6.9124 6.9124 7.3735 7.3735 7.4629 7.4629 9.7322 9.7322 9.8160 9.8160 14.9677 14.9677 14.9837 14.9837 18.5756 18.5756 18.6644 18.6644 k = 0.4020 0.4445 0.4062 ( 2810 PWs) bands (ev): 0.4029 0.4029 0.4051 0.4051 3.6193 3.6193 3.6381 3.6381 4.1898 4.1898 4.2654 4.2654 4.9774 4.9774 5.2465 5.2465 5.7773 5.7773 5.8810 5.8810 6.0311 6.0311 6.2474 6.2474 6.8967 6.8967 6.9629 6.9629 7.3782 7.3782 7.4549 7.4549 9.9334 9.9334 10.0151 10.0151 14.9832 14.9832 15.0003 15.0003 18.4783 18.4783 18.5713 18.5713 k = 0.3932 0.4349 0.4062 ( 2810 PWs) bands (ev): 0.4083 0.4083 0.4108 0.4108 3.6153 3.6153 3.6355 3.6355 4.1544 4.1544 4.2412 4.2412 4.9356 4.9356 5.2308 5.2308 5.7517 5.7517 5.8573 5.8573 5.9852 5.9852 6.2107 6.2107 6.9312 6.9312 7.0150 7.0150 7.3861 7.3861 7.4493 7.4493 10.1378 10.1378 10.2178 10.2178 14.9997 14.9997 15.0177 15.0177 18.3821 18.3821 18.4790 18.4790 k = 0.3845 0.4252 0.4062 ( 2814 PWs) bands (ev): 0.4132 0.4132 0.4160 0.4160 3.6109 3.6109 3.6325 3.6325 4.1174 4.1174 4.2156 4.2156 4.8933 4.8933 5.2132 5.2132 5.7268 5.7268 5.8275 5.8275 5.9528 5.9528 6.1795 6.1795 6.9660 6.9660 7.0682 7.0682 7.3975 7.3975 7.4461 7.4461 10.3448 10.3448 10.4236 10.4236 15.0171 15.0171 15.0357 15.0357 18.2876 18.2876 18.3881 18.3881 k = 0.3758 0.4156 0.4062 ( 2818 PWs) bands (ev): 0.4172 0.4172 0.4205 0.4205 3.6059 3.6059 3.6291 3.6291 4.0794 4.0794 4.1889 4.1889 4.8513 4.8513 5.1942 5.1942 5.7032 5.7032 5.7944 5.7944 5.9312 5.9312 6.1531 6.1531 7.0000 7.0000 7.1217 7.1217 7.4129 7.4129 7.4458 7.4458 10.5537 10.5537 10.6318 10.6318 15.0352 15.0352 15.0542 15.0542 18.1952 18.1952 18.2991 18.2991 k = 0.3670 0.4059 0.4062 ( 2826 PWs) bands (ev): 0.4201 0.4201 0.4239 0.4239 3.6003 3.6003 3.6253 3.6253 4.0411 4.0411 4.1615 4.1615 4.8105 4.8105 5.1744 5.1744 5.6812 5.6812 5.7617 5.7617 5.9162 5.9162 6.1308 6.1308 7.0322 7.0322 7.1741 7.1741 7.4330 7.4330 7.4492 7.4492 10.7639 10.7639 10.8417 10.8417 15.0542 15.0542 15.0731 15.0731 18.1052 18.1052 18.2122 18.2122 k = 0.3583 0.3962 0.4062 ( 2818 PWs) bands (ev): 0.4218 0.4218 0.4260 0.4260 3.5941 3.5941 3.6211 3.6211 4.0031 4.0031 4.1338 4.1338 4.7718 4.7718 5.1546 5.1546 5.6609 5.6609 5.7316 5.7316 5.9052 5.9052 6.1119 6.1119 7.0616 7.0616 7.2235 7.2235 7.4583 7.4583 7.4583 7.4583 10.9745 10.9745 11.0527 11.0527 15.0741 15.0741 15.0925 15.0925 18.0178 18.0178 18.1277 18.1277 k = 0.3496 0.3866 0.4062 ( 2814 PWs) bands (ev): 0.4218 0.4218 0.4266 0.4266 3.5871 3.5871 3.6166 3.6166 3.9662 3.9662 4.1062 4.1062 4.7357 4.7357 5.1354 5.1354 5.6423 5.6423 5.7049 5.7049 5.8966 5.8966 6.0958 6.0958 7.0877 7.0877 7.2666 7.2666 7.4757 7.4757 7.4891 7.4891 11.1849 11.1849 11.2642 11.2642 15.0951 15.0951 15.1125 15.1125 17.9332 17.9332 18.0457 18.0457 k = 0.3408 0.3769 0.4062 ( 2814 PWs) bands (ev): 0.4201 0.4201 0.4254 0.4254 3.5793 3.5793 3.6119 3.6119 3.9311 3.9311 4.0792 4.0792 4.7027 4.7027 5.1176 5.1176 5.6253 5.6253 5.6816 5.6816 5.8897 5.8897 6.0822 6.0822 7.1101 7.1101 7.3003 7.3003 7.5047 7.5047 7.5255 7.5255 11.3941 11.3941 11.4751 11.4751 15.1175 15.1175 15.1332 15.1332 17.8513 17.8513 17.9660 17.9660 k = 0.3321 0.3672 0.4062 ( 2808 PWs) bands (ev): 0.4163 0.4163 0.4221 0.4221 3.5707 3.5707 3.6071 3.6071 3.8986 3.8986 4.0533 4.0533 4.6731 4.6731 5.1016 5.1016 5.6100 5.6100 5.6614 5.6614 5.8840 5.8840 6.0705 6.0705 7.1291 7.1291 7.3236 7.3236 7.5459 7.5459 7.5671 7.5671 11.6010 11.6010 11.6847 11.6847 15.1419 15.1419 15.1550 15.1550 17.7721 17.7721 17.8884 17.8884 k = 0.3233 0.3576 0.4062 ( 2808 PWs) bands (ev): 0.4102 0.4102 0.4167 0.4167 3.5614 3.5614 3.6023 3.6023 3.8691 3.8691 4.0289 4.0289 4.6472 4.6472 5.0879 5.0879 5.5961 5.5961 5.6437 5.6437 5.8794 5.8794 6.0606 6.0606 7.1450 7.1450 7.3386 7.3386 7.5971 7.5971 7.6134 7.6134 11.8045 11.8045 11.8918 11.8918 15.1688 15.1688 15.1786 15.1786 17.6952 17.6952 17.8126 17.8126 k = 0.3146 0.3479 0.4062 ( 2816 PWs) bands (ev): 0.4018 0.4018 0.4088 0.4088 3.5516 3.5516 3.5979 3.5979 3.8430 3.8430 4.0064 4.0064 4.6248 4.6248 5.0769 5.0769 5.5836 5.5836 5.6283 5.6283 5.8755 5.8755 6.0522 6.0522 7.1584 7.1584 7.3483 7.3483 7.6551 7.6551 7.6637 7.6637 12.0030 12.0030 12.0949 12.0949 15.1993 15.1993 15.2047 15.2047 17.6201 17.6201 17.7377 17.7377 k = 0.3059 0.3382 0.4062 ( 2822 PWs) bands (ev): 0.3907 0.3907 0.3983 0.3983 3.5417 3.5417 3.5941 3.5941 3.8204 3.8204 3.9861 3.9861 4.6062 4.6062 5.0687 5.0687 5.5723 5.5723 5.6147 5.6147 5.8725 5.8725 6.0451 6.0451 7.1700 7.1700 7.3553 7.3553 7.7171 7.7171 7.7174 7.7174 12.1949 12.1949 12.2926 12.2926 15.2346 15.2346 15.2346 15.2346 17.5460 17.5460 17.6630 17.6630 k = 0.2971 0.3286 0.4062 ( 2818 PWs) bands (ev): 0.3771 0.3771 0.3852 0.3852 3.5320 3.5320 3.5911 3.5911 3.8013 3.8013 3.9680 3.9680 4.5912 4.5912 5.0636 5.0636 5.5621 5.5621 5.6027 5.6027 5.8701 5.8701 6.0391 6.0391 7.1804 7.1804 7.3609 7.3609 7.7731 7.7731 7.7824 7.7824 12.3781 12.3781 12.4828 12.4828 15.2696 15.2696 15.2763 15.2763 17.4717 17.4717 17.5869 17.5869 k = 0.2884 0.3189 0.4062 ( 2810 PWs) bands (ev): 0.3607 0.3607 0.3693 0.3693 3.5231 3.5231 3.5891 3.5891 3.7854 3.7854 3.9522 3.9522 4.5799 4.5799 5.0617 5.0617 5.5530 5.5530 5.5919 5.5919 5.8683 5.8683 6.0343 6.0343 7.1900 7.1900 7.3660 7.3660 7.8311 7.8311 7.8491 7.8491 12.5504 12.5504 12.6633 12.6633 15.3116 15.3116 15.3260 15.3260 17.3953 17.3953 17.5075 17.5075 k = 0.2796 0.3093 0.4062 ( 2810 PWs) bands (ev): 0.3417 0.3417 0.3507 0.3507 3.5156 3.5156 3.5885 3.5885 3.7723 3.7723 3.9387 3.9387 4.5723 4.5723 5.0630 5.0630 5.5448 5.5448 5.5822 5.5822 5.8672 5.8672 6.0304 6.0304 7.1993 7.1993 7.3712 7.3712 7.8905 7.8905 7.9171 7.9171 12.7091 12.7091 12.8315 12.8315 15.3628 15.3628 15.3859 15.3859 17.3144 17.3144 17.4221 17.4221 k = 0.2709 0.2996 0.4062 ( 2810 PWs) bands (ev): 0.3201 0.3201 0.3295 0.3295 3.5097 3.5097 3.5892 3.5892 3.7618 3.7618 3.9273 3.9273 4.5683 4.5683 5.0675 5.0675 5.5376 5.5376 5.5734 5.5734 5.8666 5.8666 6.0274 6.0274 7.2088 7.2088 7.3769 7.3769 7.9509 7.9509 7.9857 7.9857 12.8518 12.8518 12.9844 12.9844 15.4253 15.4253 15.4578 15.4578 17.2254 17.2254 17.3270 17.3270 k = 0.2622 0.2899 0.4062 ( 2810 PWs) bands (ev): 0.2960 0.2960 0.3057 0.3057 3.5059 3.5059 3.5915 3.5915 3.7534 3.7534 3.9178 3.9178 4.5681 4.5681 5.0753 5.0753 5.5312 5.5312 5.5653 5.5653 5.8666 5.8666 6.0252 6.0252 7.2188 7.2188 7.3835 7.3835 8.0119 8.0119 8.0547 8.0547 12.9760 12.9760 13.1193 13.1193 15.5013 15.5013 15.5434 15.5434 17.1236 17.1236 17.2183 17.2183 k = 0.2534 0.2803 0.4062 ( 2814 PWs) bands (ev): 0.2695 0.2695 0.2795 0.2795 3.5043 3.5043 3.5951 3.5951 3.7467 3.7467 3.9101 3.9101 4.5717 4.5717 5.0862 5.0862 5.5256 5.5256 5.5580 5.5580 5.8670 5.8670 6.0239 6.0239 7.2296 7.2296 7.3910 7.3910 8.0733 8.0733 8.1238 8.1238 13.0797 13.0797 13.2336 13.2336 15.5922 15.5922 15.6436 15.6436 17.0048 17.0048 17.0924 17.0924 k = 0.2447 0.2706 0.4062 ( 2814 PWs) bands (ev): 0.2410 0.2410 0.2511 0.2511 3.5051 3.5051 3.6001 3.6001 3.7415 3.7415 3.9039 3.9039 4.5790 4.5790 5.1002 5.1002 5.5207 5.5207 5.5514 5.5514 5.8681 5.8681 6.0233 6.0233 7.2417 7.2417 7.4000 7.4000 8.1346 8.1346 8.1929 8.1929 13.1616 13.1616 13.3254 13.3254 15.6978 15.6978 15.7581 15.7581 16.8677 16.8677 16.9483 16.9483 k = 0.2359 0.2609 0.4062 ( 2818 PWs) bands (ev): 0.2105 0.2105 0.2208 0.2208 3.5081 3.5081 3.6063 3.6063 3.7376 3.7376 3.8990 3.8990 4.5902 4.5902 5.1171 5.1171 5.5166 5.5166 5.5454 5.5454 5.8696 5.8696 6.0234 6.0234 7.2553 7.2553 7.4105 7.4105 8.1956 8.1956 8.2616 8.2616 13.2211 13.2211 13.3939 13.3939 15.8145 15.8145 15.8847 15.8847 16.7171 16.7171 16.7892 16.7892 k = 0.2272 0.2513 0.4062 ( 2814 PWs) bands (ev): 0.1784 0.1784 0.1888 0.1888 3.5132 3.5132 3.6133 3.6133 3.7347 3.7347 3.8953 3.8953 4.6052 4.6052 5.1367 5.1367 5.5133 5.5133 5.5400 5.5400 5.8716 5.8716 6.0242 6.0242 7.2710 7.2710 7.4228 7.4228 8.2561 8.2561 8.3298 8.3298 13.2584 13.2584 13.4391 13.4391 15.9307 15.9307 16.0165 16.0165 16.5690 16.5690 16.6240 16.6240 k = 0.2185 0.2416 0.4062 ( 2814 PWs) bands (ev): 0.1450 0.1450 0.1553 0.1553 3.5203 3.5203 3.6211 3.6211 3.7328 3.7328 3.8925 3.8925 4.6240 4.6240 5.1587 5.1587 5.5106 5.5106 5.5353 5.5353 5.8742 5.8742 6.0257 6.0257 7.2889 7.2889 7.4372 7.4372 8.3157 8.3157 8.3974 8.3974 13.2743 13.2743 13.4615 13.4615 16.0062 16.0062 16.1278 16.1278 16.4676 16.4676 16.4804 16.4804 k = 0.2097 0.2319 0.4062 ( 2818 PWs) bands (ev): 0.1105 0.1105 0.1207 0.1207 3.5291 3.5291 3.6292 3.6292 3.7315 3.7315 3.8905 3.8905 4.6464 4.6464 5.1828 5.1828 5.5086 5.5086 5.5313 5.5313 5.8773 5.8773 6.0277 6.0277 7.3096 7.3096 7.4540 7.4540 8.3744 8.3744 8.4642 8.4642 13.2697 13.2697 13.4625 13.4625 15.9654 15.9654 16.1181 16.1181 16.4589 16.4589 16.4907 16.4907 k = 0.2010 0.2223 0.4062 ( 2802 PWs) bands (ev): 0.0752 0.0752 0.0852 0.0852 3.5394 3.5394 3.6376 3.6376 3.7309 3.7309 3.8890 3.8890 4.6724 4.6724 5.2084 5.2084 5.5073 5.5073 5.5282 5.5282 5.8810 5.8810 6.0304 6.0304 7.3335 7.3335 7.4736 7.4736 8.4317 8.4317 8.5301 8.5301 13.2456 13.2456 13.4429 13.4429 15.8309 15.8309 15.9772 15.9772 16.5673 16.5673 16.6152 16.6152 k = 0.1923 0.2126 0.4062 ( 2802 PWs) bands (ev): 0.0395 0.0395 0.0492 0.0492 3.5508 3.5508 3.6459 3.6459 3.7309 3.7309 3.8879 3.8879 4.7016 4.7016 5.2349 5.2349 5.5067 5.5067 5.5263 5.5263 5.8853 5.8853 6.0336 6.0336 7.3610 7.3610 7.4961 7.4961 8.4876 8.4876 8.5949 8.5949 13.2028 13.2028 13.4038 13.4038 15.6687 15.6687 15.8079 15.8079 16.6968 16.6968 16.7694 16.7694 k = 0.1835 0.2029 0.4062 ( 2796 PWs) bands (ev): 0.0035 0.0035 0.0130 0.0130 3.5631 3.5631 3.6541 3.6541 3.7314 3.7314 3.8871 3.8871 4.7337 4.7337 5.2616 5.2616 5.5068 5.5068 5.5257 5.5257 5.8903 5.8903 6.0372 6.0372 7.3926 7.3926 7.5219 7.5219 8.5419 8.5419 8.6585 8.6585 13.1420 13.1420 13.3458 13.3458 15.5039 15.5039 15.6383 15.6383 16.8120 16.8120 16.9109 16.9109 k = 0.1748 0.1933 0.4062 ( 2790 PWs) bands (ev): -0.0325 -0.0325 -0.0233 -0.0233 3.5760 3.5760 3.6620 3.6620 3.7323 3.7323 3.8864 3.8864 4.7682 4.7682 5.2875 5.2875 5.5076 5.5076 5.5269 5.5269 5.8959 5.8959 6.0414 6.0414 7.4288 7.4288 7.5515 7.5515 8.5943 8.5943 8.7208 8.7208 13.0636 13.0636 13.2693 13.2693 15.3456 15.3456 15.4758 15.4758 16.8999 16.8999 17.0024 17.0024 k = 0.1660 0.1836 0.4062 ( 2794 PWs) bands (ev): -0.0681 -0.0681 -0.0592 -0.0592 3.5894 3.5894 3.6695 3.6695 3.7335 3.7335 3.8857 3.8857 4.8047 4.8047 5.3116 5.3116 5.5091 5.5091 5.5303 5.5303 5.9022 5.9022 6.0458 6.0458 7.4702 7.4702 7.5851 7.5851 8.6446 8.6446 8.7819 8.7819 12.9682 12.9682 13.1749 13.1749 15.1982 15.1982 15.3238 15.3238 16.9590 16.9590 17.0388 17.0388 k = 0.1573 0.1740 0.4062 ( 2794 PWs) bands (ev): -0.1031 -0.1031 -0.0946 -0.0946 3.6029 3.6029 3.6766 3.6766 3.7351 3.7351 3.8849 3.8849 4.8426 4.8426 5.3327 5.3327 5.5114 5.5114 5.5364 5.5364 5.9093 5.9093 6.0506 6.0506 7.5171 7.5171 7.6231 7.6231 8.6927 8.6927 8.8415 8.8415 12.8566 12.8566 13.0633 13.0633 15.0640 15.0640 15.1841 15.1841 16.9954 16.9954 17.0471 17.0471 k = 0.1486 0.1643 0.4062 ( 2794 PWs) bands (ev): -0.1374 -0.1374 -0.1293 -0.1293 3.6163 3.6163 3.6832 3.6832 3.7370 3.7370 3.8840 3.8840 4.8813 4.8813 5.3501 5.3501 5.5145 5.5145 5.5456 5.5456 5.9172 5.9172 6.0556 6.0556 7.5702 7.5702 7.6657 7.6657 8.7384 8.7384 8.8998 8.8998 12.7296 12.7296 12.9356 12.9356 14.9439 14.9439 15.0576 15.0576 17.0172 17.0172 17.0456 17.0456 k = 0.1398 0.1546 0.4062 ( 2792 PWs) bands (ev): -0.1707 -0.1707 -0.1630 -0.1630 3.6296 3.6296 3.6894 3.6894 3.7392 3.7392 3.8829 3.8829 4.9203 4.9203 5.3632 5.3632 5.5183 5.5183 5.5575 5.5575 5.9259 5.9259 6.0607 6.0607 7.6298 7.6298 7.7133 7.7133 8.7816 8.7816 8.9567 8.9567 12.5887 12.5887 12.7935 12.7935 14.8381 14.8381 14.9444 14.9444 17.0311 17.0311 17.0421 17.0421 k = 0.1311 0.1450 0.4062 ( 2800 PWs) bands (ev): -0.2028 -0.2028 -0.1956 -0.1956 3.6426 3.6426 3.6952 3.6952 3.7417 3.7417 3.8815 3.8815 4.9589 4.9589 5.3722 5.3722 5.5230 5.5230 5.5716 5.5716 5.9354 5.9354 6.0658 6.0658 7.6964 7.6964 7.7661 7.7661 8.8220 8.8220 9.0123 9.0123 12.4353 12.4353 12.6389 12.6389 14.7458 14.7458 14.8441 14.8441 17.0398 17.0398 17.0415 17.0415 k = 0.1223 0.1353 0.4062 ( 2800 PWs) bands (ev): -0.2335 -0.2335 -0.2268 -0.2268 3.6550 3.6550 3.7005 3.7005 3.7445 3.7445 3.8799 3.8799 4.9966 4.9966 5.3776 5.3776 5.5285 5.5285 5.5869 5.5869 5.9457 5.9457 6.0709 6.0709 7.7701 7.7701 7.8242 7.8242 8.8597 8.8597 9.0667 9.0667 12.2713 12.2713 12.4741 12.4741 14.6658 14.6658 14.7558 14.7558 17.0402 17.0402 17.0513 17.0513 k = 0.1136 0.1256 0.4062 ( 2812 PWs) bands (ev): -0.2628 -0.2628 -0.2565 -0.2565 3.6668 3.6668 3.7054 3.7054 3.7476 3.7476 3.8779 3.8779 5.0329 5.0329 5.3803 5.3803 5.5348 5.5348 5.6022 5.6022 5.9566 5.9566 6.0758 6.0758 7.8513 7.8513 7.8877 7.8877 8.8945 8.8945 9.1202 9.1202 12.0985 12.0985 12.3013 12.3013 14.5969 14.5969 14.6785 14.6785 17.0441 17.0441 17.0621 17.0621 k = 0.1049 0.1160 0.4062 ( 2812 PWs) bands (ev): -0.2904 -0.2904 -0.2845 -0.2845 3.6779 3.6779 3.7099 3.7099 3.7510 3.7510 3.8756 3.8756 5.0675 5.0675 5.3807 5.3807 5.5419 5.5419 5.6167 5.6167 5.9681 5.9681 6.0803 6.0803 7.9398 7.9398 7.9563 7.9563 8.9263 8.9263 9.1730 9.1730 11.9187 11.9187 12.1227 12.1227 14.5377 14.5377 14.6112 14.6112 17.0519 17.0519 17.0751 17.0751 k = 0.0961 0.1063 0.4062 ( 2808 PWs) bands (ev): -0.3162 -0.3162 -0.3108 -0.3108 3.6881 3.6881 3.7140 3.7140 3.7549 3.7549 3.8730 3.8730 5.1000 5.1000 5.3795 5.3795 5.5498 5.5498 5.6298 5.6298 5.9800 5.9800 6.0845 6.0845 8.0299 8.0299 8.0357 8.0357 8.9551 8.9551 9.2254 9.2254 11.7337 11.7337 11.9402 11.9402 14.4869 14.4869 14.5525 14.5525 17.0640 17.0640 17.0912 17.0912 k = 0.0874 0.0966 0.4062 ( 2806 PWs) bands (ev): -0.3400 -0.3400 -0.3352 -0.3352 3.6973 3.6973 3.7177 3.7177 3.7593 3.7593 3.8701 3.8701 5.1301 5.1301 5.3771 5.3771 5.5584 5.5584 5.6409 5.6409 5.9919 5.9919 6.0881 6.0881 8.1079 8.1079 8.1385 8.1385 8.9810 8.9810 9.2782 9.2782 11.5449 11.5449 11.7557 11.7557 14.4435 14.4435 14.5017 14.5017 17.0804 17.0804 17.1106 17.1106 k = 0.0786 0.0870 0.4062 ( 2806 PWs) bands (ev): -0.3619 -0.3619 -0.3575 -0.3575 3.7054 3.7054 3.7210 3.7210 3.7642 3.7642 3.8668 3.8668 5.1578 5.1578 5.3737 5.3737 5.5676 5.5676 5.6501 5.6501 6.0038 6.0038 6.0912 6.0912 8.1895 8.1895 8.2477 8.2477 9.0044 9.0044 9.3318 9.3318 11.3537 11.3537 11.5706 11.5706 14.4066 14.4066 14.4577 14.4577 17.1012 17.1012 17.1335 17.1335 k = 0.0699 0.0773 0.4062 ( 2810 PWs) bands (ev): -0.3817 -0.3817 -0.3778 -0.3778 3.7123 3.7123 3.7240 3.7240 3.7697 3.7697 3.8632 3.8632 5.1831 5.1831 5.3695 5.3695 5.5773 5.5773 5.6572 5.6572 6.0154 6.0154 6.0936 6.0936 8.2737 8.2737 8.3622 8.3622 9.0258 9.0258 9.3873 9.3873 11.1615 11.1615 11.3864 11.3864 14.3753 14.3753 14.4197 14.4197 17.1261 17.1261 17.1599 17.1599 k = 0.0612 0.0676 0.4062 ( 2814 PWs) bands (ev): -0.3993 -0.3993 -0.3959 -0.3959 3.7180 3.7180 3.7266 3.7266 3.7757 3.7757 3.8593 3.8593 5.2059 5.2059 5.3645 5.3645 5.5872 5.5872 5.6622 5.6622 6.0266 6.0266 6.0953 6.0953 8.3592 8.3592 8.4800 8.4800 9.0465 9.0465 9.4458 9.4458 10.9693 10.9693 11.2044 11.2044 14.3492 14.3492 14.3873 14.3873 17.1549 17.1549 17.1896 17.1896 k = 0.0524 0.0580 0.4062 ( 2812 PWs) bands (ev): -0.4147 -0.4147 -0.4117 -0.4117 3.7227 3.7227 3.7289 3.7289 3.7821 3.7821 3.8550 3.8550 5.2264 5.2264 5.3590 5.3590 5.5974 5.5974 5.6654 5.6654 6.0371 6.0371 6.0961 6.0961 8.4441 8.4441 8.5972 8.5972 9.0699 9.0699 9.5085 9.5085 10.7782 10.7782 11.0259 11.0259 14.3276 14.3276 14.3597 14.3597 17.1870 17.1870 17.2219 17.2219 k = 0.0437 0.0483 0.4062 ( 2812 PWs) bands (ev): -0.4277 -0.4277 -0.4253 -0.4253 3.7264 3.7264 3.7308 3.7308 3.7888 3.7888 3.8504 3.8504 5.2448 5.2448 5.3528 5.3528 5.6074 5.6074 5.6667 5.6667 6.0469 6.0469 6.0962 6.0962 8.5266 8.5266 8.7062 8.7062 9.1027 9.1027 9.5770 9.5770 10.5893 10.5893 10.8519 10.8519 14.3103 14.3103 14.3367 14.3367 17.2218 17.2218 17.2558 17.2558 k = 0.0350 0.0387 0.4062 ( 2812 PWs) bands (ev): -0.4384 -0.4384 -0.4365 -0.4365 3.7293 3.7293 3.7323 3.7323 3.7957 3.7957 3.8455 3.8455 5.2613 5.2613 5.3461 5.3461 5.6172 5.6172 5.6663 5.6663 6.0559 6.0559 6.0953 6.0953 8.6044 8.6044 8.7930 8.7930 9.1579 9.1579 9.6522 9.6522 10.4042 10.4042 10.6839 10.6839 14.2970 14.2970 14.3178 14.3178 17.2578 17.2578 17.2898 17.2898 k = 0.0262 0.0290 0.4062 ( 2812 PWs) bands (ev): -0.4467 -0.4467 -0.4453 -0.4453 3.7315 3.7315 3.7335 3.7335 3.8026 3.8026 3.8402 3.8402 5.2760 5.2760 5.3386 5.3386 5.6265 5.6265 5.6643 5.6643 6.0640 6.0640 6.0936 6.0936 8.6753 8.6753 8.8443 8.8443 9.2479 9.2479 9.7339 9.7339 10.2256 10.2256 10.5230 10.5230 14.2874 14.2874 14.3029 14.3029 17.2934 17.2934 17.3213 17.3213 k = 0.0175 0.0193 0.4062 ( 2812 PWs) bands (ev): -0.4526 -0.4526 -0.4516 -0.4516 3.7330 3.7330 3.7342 3.7342 3.8094 3.8094 3.8346 3.8346 5.2892 5.2892 5.3305 5.3305 5.6353 5.6353 5.6609 5.6609 6.0712 6.0712 6.0910 6.0910 8.7372 8.7372 8.8610 8.8610 9.3700 9.3700 9.8120 9.8120 10.0659 10.0659 10.3710 10.3710 14.2813 14.2813 14.2916 14.2916 17.3254 17.3254 17.3469 17.3469 k = 0.0087 0.0097 0.4062 ( 2812 PWs) bands (ev): -0.4561 -0.4561 -0.4556 -0.4556 3.7340 3.7340 3.7346 3.7346 3.8161 3.8161 3.8287 3.8287 5.3011 5.3011 5.3217 5.3217 5.6432 5.6432 5.6562 5.6562 6.0776 6.0776 6.0874 6.0874 8.7886 8.7886 8.8532 8.8532 9.5124 9.5124 9.8007 9.8007 10.0127 10.0127 10.2298 10.2298 14.2787 14.2787 14.2839 14.2839 17.3502 17.3502 17.3621 17.3621 k = 0.0000 0.0000 0.4062 ( 2804 PWs) bands (ev): -0.4570 -0.4570 -0.4570 -0.4570 3.7345 3.7345 3.7345 3.7345 3.8225 3.8225 3.8225 3.8225 5.3119 5.3119 5.3119 5.3119 5.6502 5.6502 5.6502 5.6502 6.0830 6.0830 6.0830 6.0830 8.8279 8.8279 8.8279 8.8279 9.6639 9.6639 9.6639 9.6639 10.1036 10.1036 10.1036 10.1036 14.2796 14.2796 14.2796 14.2796 17.3634 17.3634 17.3634 17.3634 k = 0.0000 0.0000 0.4062 ( 2804 PWs) bands (ev): -0.4570 -0.4570 -0.4570 -0.4570 3.7345 3.7345 3.7345 3.7345 3.8225 3.8225 3.8225 3.8225 5.3119 5.3119 5.3119 5.3119 5.6502 5.6502 5.6502 5.6502 6.0830 6.0830 6.0830 6.0830 8.8279 8.8279 8.8279 8.8279 9.6639 9.6639 9.6639 9.6639 10.1036 10.1036 10.1036 10.1036 14.2796 14.2796 14.2796 14.2796 17.3634 17.3634 17.3634 17.3634 k = 0.0000 0.0000 0.3931 ( 2802 PWs) bands (ev): -0.5225 -0.5225 -0.3909 -0.3909 3.7213 3.7213 3.7493 3.7493 3.8218 3.8218 3.8237 3.8237 5.3046 5.3046 5.3198 5.3198 5.6420 5.6420 5.6573 5.6573 6.0700 6.0700 6.0944 6.0944 8.7660 8.7660 8.8851 8.8851 9.6463 9.6463 9.6859 9.6859 10.0503 10.0503 10.1648 10.1648 14.0955 14.0955 14.4523 14.4523 17.3486 17.3486 17.3815 17.3815 k = 0.0000 0.0000 0.3800 ( 2812 PWs) bands (ev): -0.5872 -0.5872 -0.3243 -0.3243 3.7097 3.7097 3.7654 3.7654 3.8214 3.8214 3.8254 3.8254 5.2978 5.2978 5.3283 5.3283 5.6328 5.6328 5.6632 5.6632 6.0558 6.0558 6.1042 6.1042 8.7018 8.7018 8.9346 8.9346 9.6345 9.6345 9.7114 9.7114 10.0054 10.0054 10.2332 10.2332 13.9028 13.9028 14.6102 14.6102 17.3369 17.3369 17.4028 17.4028 k = 0.0000 0.0000 0.3668 ( 2808 PWs) bands (ev): -0.6509 -0.6509 -0.2573 -0.2573 3.6996 3.6996 3.7821 3.7821 3.8217 3.8217 3.8282 3.8282 5.2914 5.2914 5.3375 5.3375 5.6224 5.6224 5.6681 5.6681 6.0403 6.0403 6.1124 6.1124 8.6369 8.6369 8.9732 8.9732 9.6303 9.6303 9.7397 9.7397 9.9701 9.9701 10.3081 10.3081 13.7041 13.7041 14.7501 14.7501 17.3284 17.3284 17.4275 17.4275 k = 0.0000 0.0000 0.3537 ( 2804 PWs) bands (ev): -0.7135 -0.7135 -0.1902 -0.1902 3.6910 3.6910 3.7973 3.7973 3.8228 3.8228 3.8340 3.8340 5.2855 5.2855 5.3474 5.3474 5.6110 5.6110 5.6721 5.6721 6.0239 6.0239 6.1188 6.1188 8.5727 8.5727 8.9979 8.9979 9.6344 9.6344 9.7692 9.7692 9.9472 9.9472 10.3885 10.3885 13.5018 13.5018 14.8687 14.8687 17.3227 17.3227 17.4557 17.4557 k = 0.0000 0.0000 0.3406 ( 2804 PWs) bands (ev): -0.7749 -0.7749 -0.1232 -0.1232 3.6839 3.6839 3.8070 3.8070 3.8247 3.8247 3.8466 3.8466 5.2800 5.2800 5.3580 5.3580 5.5986 5.5986 5.6752 5.6752 6.0067 6.0067 6.1234 6.1234 8.5097 8.5097 9.0078 9.0078 9.6458 9.6458 9.7942 9.7942 9.9441 9.9441 10.4734 10.4734 13.2977 13.2977 14.9632 14.9632 17.3199 17.3199 17.4874 17.4874 k = 0.0000 0.0000 0.3275 ( 2804 PWs) bands (ev): -0.8348 -0.8348 -0.0565 -0.0565 3.6780 3.6780 3.8112 3.8112 3.8268 3.8268 3.8667 3.8667 5.2747 5.2747 5.3695 5.3695 5.5854 5.5854 5.6776 5.6776 5.9889 5.9889 6.1262 6.1262 8.4486 8.4486 9.0041 9.0041 9.6617 9.6617 9.8052 9.8052 9.9711 9.9711 10.5619 10.5619 13.0939 13.0939 15.0323 15.0323 17.3197 17.3197 17.5228 17.5228 k = 0.0000 0.0000 0.3144 ( 2804 PWs) bands (ev): -0.8933 -0.8933 0.0098 0.0098 3.6734 3.6734 3.8129 3.8129 3.8288 3.8288 3.8913 3.8913 5.2697 5.2697 5.3819 5.3819 5.5715 5.5715 5.6795 5.6795 5.9707 5.9707 6.1272 6.1272 8.3896 8.3896 8.9895 8.9895 9.6791 9.6791 9.8031 9.8031 10.0276 10.0276 10.6524 10.6524 12.8926 12.8926 15.0758 15.0758 17.3221 17.3221 17.5618 17.5618 k = 0.0000 0.0000 0.3013 ( 2802 PWs) bands (ev): -0.9501 -0.9501 0.0754 0.0754 3.6698 3.6698 3.8137 3.8137 3.8307 3.8307 3.9187 3.9187 5.2648 5.2648 5.3951 5.3951 5.5572 5.5572 5.6811 5.6811 5.9524 5.9524 6.1264 6.1264 8.3328 8.3328 8.9671 8.9671 9.6956 9.6956 9.7960 9.7960 10.1042 10.1042 10.7430 10.7430 12.6963 12.6963 15.0952 15.0952 17.3269 17.3269 17.6045 17.6045 k = 0.0000 0.0000 0.2882 ( 2810 PWs) bands (ev): -1.0052 -1.0052 0.1402 0.1402 3.6672 3.6672 3.8143 3.8143 3.8325 3.8325 3.9481 3.9481 5.2599 5.2599 5.4092 5.4092 5.5428 5.5428 5.6827 5.6827 5.9341 5.9341 6.1239 6.1239 8.2783 8.2783 8.9396 8.9396 9.7095 9.7095 9.7890 9.7890 10.1943 10.1943 10.8309 10.8309 12.5082 12.5082 15.0929 15.0929 17.3338 17.3338 17.6507 17.6507 k = 0.0000 0.0000 0.2751 ( 2814 PWs) bands (ev): -1.0585 -1.0585 0.2038 0.2038 3.6655 3.6655 3.8147 3.8147 3.8342 3.8342 3.9790 3.9790 5.2551 5.2551 5.4241 5.4241 5.5286 5.5286 5.6847 5.6847 5.9160 5.9160 6.1197 6.1197 8.2259 8.2259 8.9093 8.9093 9.7196 9.7196 9.7846 9.7846 10.2940 10.2940 10.9118 10.9118 12.3334 12.3334 15.0722 15.0722 17.3426 17.3426 17.7003 17.7003 k = 0.0000 0.0000 0.2620 ( 2818 PWs) bands (ev): -1.1098 -1.1098 0.2662 0.2662 3.6645 3.6645 3.8150 3.8150 3.8358 3.8358 4.0110 4.0110 5.2500 5.2500 5.4395 5.4395 5.5155 5.5155 5.6876 5.6876 5.8983 5.8983 6.1139 6.1139 8.1755 8.1755 8.8777 8.8777 9.7250 9.7250 9.7842 9.7842 10.4008 10.4008 10.9783 10.9783 12.1799 12.1799 15.0361 15.0361 17.3531 17.3531 17.7533 17.7533 k = 0.0000 0.0000 0.2489 ( 2810 PWs) bands (ev): -1.1592 -1.1592 0.3271 0.3271 3.6642 3.6642 3.8153 3.8153 3.8372 3.8372 4.0438 4.0438 5.2446 5.2446 5.4542 5.4542 5.5047 5.5047 5.6919 5.6919 5.8810 5.8810 6.1066 6.1066 8.1269 8.1269 8.8458 8.8458 9.7259 9.7259 9.7874 9.7874 10.5124 10.5124 11.0193 11.0193 12.0597 12.0597 14.9879 14.9879 17.3651 17.3651 17.8092 17.8092 k = 0.0000 0.0000 0.2358 ( 2800 PWs) bands (ev): -1.2064 -1.2064 0.3864 0.3864 3.6645 3.6645 3.8155 3.8155 3.8385 3.8385 4.0769 4.0769 5.2389 5.2389 5.4636 5.4636 5.5011 5.5011 5.6984 5.6984 5.8642 5.8642 6.0977 6.0977 8.0797 8.0797 8.8144 8.8144 9.7239 9.7239 9.7924 9.7924 10.6265 10.6265 11.0216 11.0216 11.9878 11.9878 14.9301 14.9301 17.3782 17.3782 17.8676 17.8676 k = 0.0000 0.0000 0.2227 ( 2796 PWs) bands (ev): -1.2515 -1.2515 0.4437 0.4437 3.6652 3.6652 3.8157 3.8157 3.8396 3.8396 4.1099 4.1099 5.2326 5.2326 5.4624 5.4624 5.5100 5.5100 5.7079 5.7079 5.8481 5.8481 6.0875 6.0875 8.0335 8.0335 8.7840 8.7840 9.7206 9.7206 9.7974 9.7974 10.7363 10.7363 10.9831 10.9831 11.9726 11.9726 14.8648 14.8648 17.3920 17.3920 17.9274 17.9274 k = 0.0000 0.0000 0.2096 ( 2800 PWs) bands (ev): -1.2943 -1.2943 0.4990 0.4990 3.6662 3.6662 3.8157 3.8157 3.8404 3.8404 4.1424 4.1424 5.2257 5.2257 5.4557 5.4557 5.5260 5.5260 5.7216 5.7216 5.8329 5.8329 6.0761 6.0761 7.9879 7.9879 8.7550 8.7550 9.7168 9.7168 9.8008 9.8008 10.7975 10.7975 10.9543 10.9543 12.0078 12.0078 14.7940 14.7940 17.4064 17.4064 17.9856 17.9856 k = 0.0000 0.0000 0.1965 ( 2786 PWs) bands (ev): -1.3348 -1.3348 0.5520 0.5520 3.6676 3.6676 3.8157 3.8157 3.8409 3.8409 4.1738 4.1738 5.2181 5.2181 5.4486 5.4486 5.5438 5.5438 5.7404 5.7404 5.8189 5.8189 6.0635 6.0635 7.9425 7.9425 8.7277 8.7277 9.7128 9.7128 9.8015 9.8015 10.7259 10.7259 11.0352 11.0352 12.0785 12.0785 14.7190 14.7190 17.4210 17.4210 18.0313 18.0313 k = 0.0000 0.0000 0.1834 ( 2782 PWs) bands (ev): -1.3730 -1.3730 0.6026 0.6026 3.6691 3.6691 3.8156 3.8156 3.8411 3.8411 4.2037 4.2037 5.2099 5.2099 5.4425 5.4425 5.5615 5.5615 5.7633 5.7633 5.8081 5.8081 6.0498 6.0498 7.8965 7.8965 8.7021 8.7021 9.7085 9.7085 9.7980 9.7980 10.6079 10.6079 11.1535 11.1535 12.1711 12.1711 14.6409 14.6409 17.4355 17.4355 18.0270 18.0270 k = 0.0000 0.0000 0.1703 ( 2782 PWs) bands (ev): -1.4088 -1.4088 0.6505 0.6505 3.6708 3.6708 3.8153 3.8153 3.8411 3.8411 4.2319 4.2319 5.2012 5.2012 5.4378 5.4378 5.5781 5.5781 5.7768 5.7768 5.8154 5.8154 6.0351 6.0351 7.8494 7.8494 8.6784 8.6784 9.7034 9.7034 9.7886 9.7886 10.4847 10.4847 11.2786 11.2786 12.2768 12.2768 14.5608 14.5608 17.4497 17.4497 17.9473 17.9473 k = 0.0000 0.0000 0.1572 ( 2774 PWs) bands (ev): -1.4421 -1.4421 0.6957 0.6957 3.6725 3.6725 3.8149 3.8149 3.8407 3.8407 4.2578 4.2578 5.1919 5.1919 5.4346 5.4346 5.5938 5.5938 5.7697 5.7697 5.8518 5.8518 6.0197 6.0197 7.8005 7.8005 8.6565 8.6565 9.6959 9.6959 9.7718 9.7718 10.3695 10.3695 11.4057 11.4057 12.3901 12.3901 14.4793 14.4793 17.4633 17.4633 17.8316 17.8316 k = 0.0000 0.0000 0.1441 ( 2782 PWs) bands (ev): -1.4729 -1.4729 0.7379 0.7379 3.6742 3.6742 3.8143 3.8143 3.8401 3.8401 4.2815 4.2815 5.1824 5.1824 5.4329 5.4329 5.6087 5.6087 5.7587 5.7587 5.9009 5.9009 6.0038 6.0038 7.7491 7.7491 8.6366 8.6366 9.6806 9.6806 9.7492 9.7492 10.2707 10.2707 11.5331 11.5331 12.5071 12.5071 14.3971 14.3971 17.4760 17.4760 17.7025 17.7025 k = 0.0000 0.0000 0.1310 ( 2786 PWs) bands (ev): -1.5011 -1.5011 0.7770 0.7770 3.6759 3.6759 3.8136 3.8136 3.8392 3.8392 4.3026 4.3026 5.1727 5.1727 5.4324 5.4324 5.6231 5.6231 5.7474 5.7474 5.9560 5.9560 5.9901 5.9901 7.6944 7.6944 8.6186 8.6186 9.6458 9.6458 9.7301 9.7301 10.1938 10.1938 11.6597 11.6597 12.6252 12.6252 14.3149 14.3149 17.4878 17.4878 17.5681 17.5681 k = 0.0000 0.0000 0.1179 ( 2786 PWs) bands (ev): -1.5268 -1.5268 0.8129 0.8129 3.6775 3.6775 3.8126 3.8126 3.8383 3.8383 4.3213 4.3213 5.1631 5.1631 5.4330 5.4330 5.6375 5.6375 5.7367 5.7367 5.9655 5.9655 6.0291 6.0291 7.6356 7.6356 8.6025 8.6025 9.5871 9.5871 9.7201 9.7201 10.1396 10.1396 11.7845 11.7845 12.7421 12.7421 14.2333 14.2333 17.4324 17.4324 17.4986 17.4986 k = 0.0000 0.0000 0.1048 ( 2792 PWs) bands (ev): -1.5498 -1.5498 0.8454 0.8454 3.6790 3.6790 3.8115 3.8115 3.8372 3.8372 4.3376 4.3376 5.1538 5.1538 5.4344 5.4344 5.6519 5.6519 5.7268 5.7268 5.9487 5.9487 6.1011 6.1011 7.5721 7.5721 8.5882 8.5882 9.5145 9.5145 9.7152 9.7152 10.1041 10.1041 11.9066 11.9066 12.8552 12.8552 14.1532 14.1532 17.2990 17.2990 17.5082 17.5082 k = 0.0000 0.0000 0.0917 ( 2796 PWs) bands (ev): -1.5702 -1.5702 0.8744 0.8744 3.6803 3.6803 3.8103 3.8103 3.8362 3.8362 4.3515 4.3515 5.1450 5.1450 5.4363 5.4363 5.6663 5.6663 5.7180 5.7180 5.9306 5.9306 6.1804 6.1804 7.5034 7.5034 8.5757 8.5757 9.4378 9.4378 9.7123 9.7123 10.0818 10.0818 12.0248 12.0248 12.9622 12.9622 14.0757 14.0757 17.1705 17.1705 17.5167 17.5167 k = 0.0000 0.0000 0.0786 ( 2792 PWs) bands (ev): -1.5879 -1.5879 0.8998 0.8998 3.6815 3.6815 3.8090 3.8090 3.8352 3.8352 4.3632 4.3632 5.1369 5.1369 5.4386 5.4386 5.6799 5.6799 5.7114 5.7114 5.9120 5.9120 6.2654 6.2654 7.4292 7.4292 8.5650 8.5650 9.3639 9.3639 9.7105 9.7105 10.0679 10.0679 12.1375 12.1375 13.0602 13.0602 14.0024 14.0024 17.0499 17.0499 17.5240 17.5240 k = 0.0000 0.0000 0.0655 ( 2792 PWs) bands (ev): -1.6029 -1.6029 0.9214 0.9214 3.6825 3.6825 3.8077 3.8077 3.8344 3.8344 4.3728 4.3728 5.1298 5.1298 5.4410 5.4410 5.6886 5.6886 5.7112 5.7112 5.8933 5.8933 6.3552 6.3552 7.3496 7.3496 8.5560 8.5560 9.2973 9.2973 9.7093 9.7093 10.0592 10.0592 12.2430 12.2430 13.1459 13.1459 13.9356 13.9356 16.9402 16.9402 17.5301 17.5301 k = 0.0000 0.0000 0.0524 ( 2791 PWs) bands (ev): -1.6153 -1.6153 0.9393 0.9393 3.6833 3.6833 3.8065 3.8065 3.8337 3.8337 4.3805 4.3805 5.1236 5.1236 5.4434 5.4434 5.6881 5.6881 5.7217 5.7217 5.8745 5.8745 6.4485 6.4485 7.2651 7.2651 8.5487 8.5487 9.2406 9.2406 9.7085 9.7085 10.0539 10.0539 12.3386 12.3386 13.2156 13.2156 13.8782 13.8782 16.8443 16.8443 17.5352 17.5352 k = 0.0000 0.0000 0.0393 ( 2783 PWs) bands (ev): -1.6249 -1.6249 0.9533 0.9533 3.6839 3.6839 3.8054 3.8054 3.8331 3.8331 4.3864 4.3864 5.1187 5.1187 5.4454 5.4454 5.6846 5.6846 5.7367 5.7367 5.8560 5.8560 6.5437 6.5437 7.1770 7.1770 8.5431 8.5431 9.1955 9.1955 9.7079 9.7079 10.0506 10.0506 12.4210 12.4210 13.2665 13.2665 13.8335 13.8335 16.7655 16.7655 17.5392 17.5392 k = 0.0000 0.0000 0.0262 ( 2783 PWs) bands (ev): -1.6317 -1.6317 0.9633 0.9633 3.6843 3.6843 3.8046 3.8046 3.8327 3.8327 4.3905 4.3905 5.1151 5.1151 5.4470 5.4470 5.6814 5.6814 5.7524 5.7524 5.8383 5.8383 6.6380 6.6380 7.0878 7.0878 8.5391 8.5391 9.1628 9.1628 9.7076 9.7076 10.0487 10.0487 12.4856 12.4856 13.2978 13.2978 13.8034 13.8034 16.7066 16.7066 17.5420 17.5420 k = 0.0000 0.0000 0.0131 ( 2783 PWs) bands (ev): -1.6358 -1.6358 0.9693 0.9693 3.6845 3.6845 3.8041 3.8041 3.8324 3.8324 4.3930 4.3930 5.1129 5.1129 5.4480 5.4480 5.6794 5.6794 5.7667 5.7667 5.8230 5.8230 6.7235 6.7235 7.0053 7.0053 8.5367 8.5367 9.1431 9.1431 9.7074 9.7074 10.0477 10.0477 12.5275 12.5275 13.3128 13.3128 13.7873 13.7873 16.6702 16.6702 17.5438 17.5438 k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -1.6372 -1.6372 0.9713 0.9713 3.6846 3.6846 3.8039 3.8039 3.8324 3.8324 4.3938 4.3938 5.1121 5.1121 5.4483 5.4483 5.6787 5.6787 5.7738 5.7738 5.8156 5.8156 6.7677 6.7677 6.9622 6.9622 8.5359 8.5359 9.1365 9.1365 9.7073 9.7073 10.0474 10.0474 12.5421 12.5421 13.3169 13.3169 13.7824 13.7824 16.6578 16.6578 17.5444 17.5444 k = 0.0000 0.0000 0.0000 ( 2775 PWs) bands (ev): -1.6372 -1.6372 0.9713 0.9713 3.6846 3.6846 3.8039 3.8039 3.8324 3.8324 4.3938 4.3938 5.1121 5.1121 5.4483 5.4483 5.6787 5.6787 5.7738 5.7738 5.8156 5.8156 6.7677 6.7677 6.9622 6.9622 8.5359 8.5359 9.1365 9.1365 9.7073 9.7073 10.0474 10.0474 12.5421 12.5421 13.3169 13.3169 13.7824 13.7824 16.6578 16.6578 17.5444 17.5444 k =-0.0096 0.0087 0.0000 ( 2779 PWs) bands (ev): -1.6360 -1.6360 0.9714 0.9714 3.6844 3.6844 3.8039 3.8039 3.8322 3.8322 4.3933 4.3933 5.1117 5.1117 5.4479 5.4479 5.6763 5.6763 5.7730 5.7730 5.8163 5.8163 6.7714 6.7714 6.9621 6.9621 8.5152 8.5152 9.1616 9.1616 9.6936 9.6936 10.0601 10.0601 12.5259 12.5259 13.3298 13.3298 13.7804 13.7804 16.6651 16.6651 17.5466 17.5466 k =-0.0192 0.0174 0.0000 ( 2779 PWs) bands (ev): -1.6322 -1.6322 0.9715 0.9715 3.6836 3.6836 3.8038 3.8038 3.8317 3.8317 4.3918 4.3918 5.1102 5.1102 5.4467 5.4467 5.6693 5.6693 5.7711 5.7711 5.8180 5.8180 6.7823 6.7823 6.9620 6.9620 8.4615 8.4615 9.2285 9.2285 9.6573 9.6573 10.0939 10.0939 12.4813 12.4813 13.3613 13.3613 13.7776 13.7776 16.6863 16.6863 17.5532 17.5532 k =-0.0288 0.0261 0.0000 ( 2783 PWs) bands (ev): -1.6259 -1.6259 0.9718 0.9718 3.6824 3.6824 3.8037 3.8037 3.8309 3.8309 4.3892 4.3892 5.1079 5.1079 5.4446 5.4446 5.6579 5.6579 5.7687 5.7687 5.8203 5.8203 6.7991 6.7991 6.9630 6.9630 8.3896 8.3896 9.3216 9.3216 9.6067 9.6067 10.1406 10.1406 12.4168 12.4168 13.3929 13.3929 13.7850 13.7850 16.7186 16.7186 17.5638 17.5638 k =-0.0385 0.0348 0.0000 ( 2785 PWs) bands (ev): -1.6172 -1.6172 0.9721 0.9721 3.6807 3.6807 3.8034 3.8034 3.8299 3.8299 4.3858 4.3858 5.1047 5.1047 5.4417 5.4417 5.6427 5.6427 5.7661 5.7661 5.8225 5.8225 6.8193 6.8193 6.9670 6.9670 8.3103 8.3103 9.4285 9.4285 9.5485 9.5485 10.1954 10.1954 12.3403 12.3403 13.4020 13.4020 13.8183 13.8183 16.7568 16.7568 17.5777 17.5777 k =-0.0481 0.0435 0.0000 ( 2769 PWs) bands (ev): -1.6059 -1.6059 0.9723 0.9723 3.6784 3.6784 3.8030 3.8030 3.8288 3.8288 4.3815 4.3815 5.1006 5.1006 5.4380 5.4380 5.6245 5.6245 5.7637 5.7637 5.8246 5.8246 6.8387 6.8387 6.9778 6.9778 8.2292 8.2292 9.4781 9.4781 9.5499 9.5499 10.2560 10.2560 12.2573 12.2573 13.3772 13.3772 13.8844 13.8844 16.7914 16.7914 17.5894 17.5895 k =-0.0577 0.0522 0.0000 ( 2775 PWs) bands (ev): -1.5922 -1.5922 0.9725 0.9725 3.6757 3.6757 3.8023 3.8023 3.8275 3.8275 4.3764 4.3764 5.0956 5.0956 5.4333 5.4333 5.6041 5.6041 5.7613 5.7613 5.8265 5.8265 6.8519 6.8519 7.0002 7.0002 8.1494 8.1494 9.4124 9.4124 9.6653 9.6653 10.3227 10.3227 12.1713 12.1713 13.3235 13.3235 13.9760 13.9760 16.8061 16.8061 17.5637 17.5637 k =-0.0673 0.0609 0.0000 ( 2790 PWs) bands (ev): -1.5761 -1.5761 0.9726 0.9726 3.6726 3.6726 3.8012 3.8012 3.8264 3.8264 4.3708 4.3708 5.0898 5.0898 5.4276 5.4276 5.5826 5.5826 5.7587 5.7587 5.8281 5.8281 6.8564 6.8564 7.0362 7.0362 8.0725 8.0725 9.3419 9.3419 9.7805 9.7805 10.3969 10.3969 12.0846 12.0846 13.2498 13.2498 14.0825 14.0825 16.7782 16.7782 17.5182 17.5182 k =-0.0769 0.0696 0.0000 ( 2786 PWs) bands (ev): -1.5576 -1.5576 0.9724 0.9724 3.6690 3.6690 3.7996 3.7996 3.8255 3.8255 4.3646 4.3646 5.0833 5.0833 5.4206 5.4206 5.5608 5.5608 5.7558 5.7558 5.8298 5.8298 6.8540 6.8540 7.0838 7.0838 7.9993 7.9993 9.2691 9.2691 9.8889 9.8889 10.4814 10.4814 11.9983 11.9983 13.1629 13.1629 14.1961 14.1961 16.6949 16.6949 17.5204 17.5204 k =-0.0865 0.0783 0.0000 ( 2784 PWs) bands (ev): -1.5367 -1.5367 0.9719 0.9719 3.6649 3.6649 3.7975 3.7975 3.8250 3.8250 4.3582 4.3582 5.0762 5.0762 5.4120 5.4120 5.5398 5.5398 5.7525 5.7525 5.8315 5.8315 6.8471 6.8471 7.1401 7.1401 7.9304 7.9304 9.1948 9.1948 9.9862 9.9862 10.5787 10.5787 11.9134 11.9134 13.0666 13.0666 14.3114 14.3114 16.5675 16.5675 17.5688 17.5688 k =-0.0962 0.0869 0.0000 ( 2780 PWs) bands (ev): -1.5135 -1.5135 0.9711 0.9711 3.6605 3.6605 3.7947 3.7947 3.8249 3.8249 4.3515 4.3515 5.0684 5.0684 5.4013 5.4013 5.5205 5.5205 5.7487 5.7487 5.8333 5.8333 6.8375 6.8375 7.2031 7.2031 7.8658 7.8658 9.1191 9.1191 10.0695 10.0695 10.6902 10.6902 11.8304 11.8304 12.9636 12.9636 14.4237 14.4237 16.4169 16.4169 17.6442 17.6442 k =-0.1058 0.0956 0.0000 ( 2782 PWs) bands (ev): -1.4881 -1.4881 0.9697 0.9697 3.6557 3.6557 3.7915 3.7915 3.8251 3.8251 4.3448 4.3448 5.0601 5.0601 5.3880 5.3880 5.5038 5.5038 5.7444 5.7444 5.8354 5.8354 6.8262 6.8262 7.2715 7.2715 7.8056 7.8056 9.0424 9.0424 10.1382 10.1382 10.8151 10.8151 11.7497 11.7497 12.8560 12.8560 14.5275 14.5275 16.2604 16.2604 17.7286 17.7286 k =-0.1154 0.1043 0.0000 ( 2774 PWs) bands (ev): -1.4604 -1.4604 0.9676 0.9676 3.6506 3.6506 3.7878 3.7878 3.8257 3.8257 4.3383 4.3383 5.0514 5.0514 5.3722 5.3722 5.4903 5.4903 5.7395 5.7395 5.8378 5.8378 6.8140 6.8140 7.3445 7.3445 7.7497 7.7497 8.9649 8.9649 10.1936 10.1936 10.9505 10.9505 11.6719 11.6719 12.7450 12.7450 14.6163 14.6163 16.1109 16.1109 17.8088 17.8088 k =-0.1250 0.1130 0.0000 ( 2774 PWs) bands (ev): -1.4306 -1.4306 0.9649 0.9649 3.6453 3.6453 3.7838 3.7838 3.8266 3.8266 4.3321 4.3321 5.0424 5.0424 5.3543 5.3543 5.4797 5.4797 5.7342 5.7342 5.8405 5.8405 6.8014 6.8014 7.4215 7.4215 7.6980 7.6980 8.8867 8.8867 10.2375 10.2375 11.0915 11.0915 11.5982 11.5982 12.6319 12.6319 14.6814 14.6814 15.9803 15.9803 17.8812 17.8812 k =-0.1346 0.1217 0.0000 ( 2780 PWs) bands (ev): -1.3987 -1.3987 0.9613 0.9613 3.6399 3.6399 3.7796 3.7796 3.8278 3.8278 4.3263 4.3263 5.0331 5.0331 5.3349 5.3349 5.4718 5.4718 5.7285 5.7285 5.8435 5.8435 6.7886 6.7886 7.5021 7.5021 7.6503 7.6503 8.8081 8.8081 10.2719 10.2719 11.2292 11.2292 11.5341 11.5341 12.5176 12.5176 14.7131 14.7131 15.8797 15.8797 17.9499 17.9499 k =-0.1442 0.1304 0.0000 ( 2776 PWs) bands (ev): -1.3649 -1.3649 0.9568 0.9568 3.6344 3.6344 3.7753 3.7753 3.8292 3.8292 4.3212 4.3212 5.0237 5.0237 5.3148 5.3148 5.4660 5.4660 5.7224 5.7224 5.8469 5.8469 6.7759 6.7759 7.5853 7.5853 7.6069 7.6069 8.7292 8.7292 10.2984 10.2984 11.3280 11.3280 11.5115 11.5115 12.4031 12.4031 14.7045 14.7045 15.8165 15.8165 18.0185 18.0185 k =-0.1538 0.1391 0.0000 ( 2774 PWs) bands (ev): -1.3291 -1.3291 0.9512 0.9512 3.6290 3.6290 3.7710 3.7710 3.8308 3.8308 4.3168 4.3168 5.0143 5.0143 5.2948 5.2948 5.4617 5.4617 5.7162 5.7162 5.8505 5.8505 6.7636 6.7636 7.5657 7.5657 7.6727 7.6727 8.6501 8.6501 10.3178 10.3178 11.3178 11.3178 11.5962 11.5962 12.2891 12.2891 14.6576 14.6576 15.7888 15.7888 18.0886 18.0886 k =-0.1635 0.1478 0.0000 ( 2774 PWs) bands (ev): -1.2915 -1.2915 0.9446 0.9446 3.6237 3.6237 3.7668 3.7668 3.8325 3.8325 4.3132 4.3132 5.0049 5.0049 5.2754 5.2754 5.4587 5.4587 5.7099 5.7099 5.8545 5.8545 6.7517 6.7517 7.5287 7.5287 7.7619 7.7619 8.5712 8.5712 10.3311 10.3311 11.2583 11.2583 11.7238 11.7238 12.1768 12.1768 14.5843 14.5843 15.7848 15.7848 18.1606 18.1606 k =-0.1731 0.1565 0.0000 ( 2776 PWs) bands (ev): -1.2523 -1.2523 0.9369 0.9369 3.6186 3.6186 3.7628 3.7628 3.8344 3.8344 4.3107 4.3107 4.9956 4.9956 5.2570 5.2570 5.4567 5.4567 5.7036 5.7036 5.8587 5.8587 6.7403 6.7403 7.4946 7.4946 7.8532 7.8532 8.4926 8.4926 10.3387 10.3387 11.1891 11.1891 11.8469 11.8469 12.0696 12.0696 14.5008 14.5008 15.7893 15.7893 18.2332 18.2332 k =-0.1827 0.1652 0.0000 ( 2780 PWs) bands (ev): -1.2114 -1.2114 0.9279 0.9279 3.6139 3.6139 3.7591 3.7591 3.8364 3.8364 4.3091 4.3091 4.9864 4.9864 5.2401 5.2401 5.4555 5.4555 5.6975 5.6975 5.8632 5.8632 6.7296 6.7296 7.4635 7.4635 7.9461 7.9461 8.4149 8.4149 10.3411 10.3411 11.1164 11.1164 11.9129 11.9129 12.0082 12.0082 14.4222 14.4222 15.7891 15.7891 18.3011 18.3011 k =-0.1923 0.1739 0.0000 ( 2780 PWs) bands (ev): -1.1691 -1.1691 0.9178 0.9178 3.6096 3.6096 3.7557 3.7557 3.8385 3.8385 4.3088 4.3088 4.9775 4.9775 5.2248 5.2248 5.4550 5.4550 5.6917 5.6917 5.8680 5.8680 6.7196 6.7196 7.4350 7.4350 8.0388 8.0388 8.3396 8.3396 10.3385 10.3385 11.0414 11.0414 11.8318 11.8318 12.0755 12.0755 14.3610 14.3610 15.7751 15.7751 18.3437 18.3437 k =-0.2019 0.1826 0.0000 ( 2784 PWs) bands (ev): -1.1254 -1.1254 0.9065 0.9065 3.6058 3.6058 3.7527 3.7527 3.8407 3.8407 4.3096 4.3096 4.9687 4.9687 5.2115 5.2115 5.4551 5.4551 5.6862 5.6862 5.8731 5.8731 6.7103 6.7103 7.4090 7.4090 8.1231 8.1231 8.2751 8.2751 10.3312 10.3312 10.9640 10.9640 11.7305 11.7305 12.1386 12.1386 14.3272 14.3272 15.7426 15.7426 18.3327 18.3327 k =-0.2115 0.1913 0.0000 ( 2782 PWs) bands (ev): -1.0805 -1.0805 0.8941 0.8941 3.6025 3.6025 3.7502 3.7502 3.8431 3.8431 4.3117 4.3117 4.9603 4.9603 5.2002 5.2002 5.4557 5.4557 5.6813 5.6813 5.8784 5.8784 6.7017 6.7017 7.3853 7.3853 8.1405 8.1405 8.2796 8.2796 10.3193 10.3193 10.8839 10.8839 11.6301 11.6301 12.1723 12.1723 14.3266 14.3266 15.6903 15.6903 18.2915 18.2915 k =-0.2212 0.2000 0.0000 ( 2778 PWs) bands (ev): -1.0347 -1.0347 0.8807 0.8807 3.5999 3.5999 3.7482 3.7482 3.8455 3.8455 4.3151 4.3151 4.9521 4.9521 5.1912 5.1912 5.4567 5.4567 5.6768 5.6768 5.8839 5.8839 6.6937 6.6937 7.3637 7.3637 8.0802 8.0802 8.3638 8.3638 10.3031 10.3031 10.8008 10.8008 11.5327 11.5327 12.1742 12.1742 14.3596 14.3596 15.6212 15.6212 18.2406 18.2406 k =-0.2308 0.2087 0.0000 ( 2782 PWs) bands (ev): -0.9879 -0.9879 0.8662 0.8662 3.5979 3.5979 3.7467 3.7467 3.8481 3.8481 4.3198 4.3198 4.9443 4.9443 5.1845 5.1845 5.4582 5.4582 5.6731 5.6731 5.8897 5.8897 6.6864 6.6864 7.3440 7.3440 8.0072 8.0072 8.4624 8.4624 10.2826 10.2826 10.7141 10.7141 11.4391 11.4391 12.1472 12.1472 14.4200 14.4200 15.5416 15.5416 18.1798 18.1798 k =-0.2404 0.2174 0.0000 ( 2786 PWs) bands (ev): -0.9406 -0.9406 0.8509 0.8509 3.5965 3.5965 3.7458 3.7458 3.8508 3.8508 4.3258 4.3258 4.9368 4.9368 5.1803 5.1803 5.4601 5.4601 5.6700 5.6700 5.8958 5.8958 6.6797 6.6797 7.3260 7.3260 7.9323 7.9323 8.5646 8.5646 10.2582 10.2582 10.6238 10.6238 11.3497 11.3497 12.0971 12.0971 14.4942 14.4942 15.4632 15.4632 18.0856 18.0856 k =-0.2500 0.2261 0.0000 ( 2794 PWs) bands (ev): -0.8927 -0.8927 0.8349 0.8349 3.5959 3.5959 3.7454 3.7454 3.8536 3.8536 4.3331 4.3331 4.9297 4.9297 5.1785 5.1785 5.4623 5.4623 5.6678 5.6678 5.9022 5.9022 6.6736 6.6736 7.3096 7.3096 7.8573 7.8573 8.6682 8.6682 10.2300 10.2300 10.5296 10.5296 11.2648 11.2648 12.0307 12.0307 14.5591 14.5591 15.4063 15.4063 17.9427 17.9427 k =-0.2596 0.2348 0.0000 ( 2802 PWs) bands (ev): -0.8447 -0.8447 0.8184 0.8184 3.5960 3.5960 3.7454 3.7454 3.8567 3.8567 4.3416 4.3416 4.9231 4.9231 5.1792 5.1792 5.4648 5.4648 5.6664 5.6664 5.9088 5.9088 6.6680 6.6680 7.2944 7.2944 7.7826 7.7826 8.7722 8.7722 10.1984 10.1984 10.4318 10.4318 11.1847 11.1847 11.9543 11.9543 14.5833 14.5833 15.3995 15.3995 17.7792 17.7792 k =-0.2692 0.2435 0.0000 ( 2804 PWs) bands (ev): -0.7966 -0.7966 0.8014 0.8014 3.5969 3.5969 3.7460 3.7460 3.8601 3.8601 4.3513 4.3513 4.9170 4.9170 5.1822 5.1822 5.4676 5.4676 5.6659 5.6659 5.9157 5.9157 6.6628 6.6628 7.2804 7.2804 7.7088 7.7088 8.8758 8.8758 10.1638 10.1638 10.3311 10.3311 11.1094 11.1094 11.8728 11.8728 14.5454 14.5454 15.4618 15.4618 17.6088 17.6088 k =-0.2788 0.2521 0.0000 ( 2804 PWs) bands (ev): -0.7487 -0.7487 0.7844 0.7844 3.5985 3.5985 3.7469 3.7469 3.8638 3.8638 4.3619 4.3619 4.9115 4.9115 5.1874 5.1874 5.4707 5.4707 5.6664 5.6664 5.9229 5.9229 6.6580 6.6580 7.2671 7.2671 7.6358 7.6358 8.9777 8.9777 10.1259 10.1259 10.2291 10.2291 11.0392 11.0392 11.7897 11.7897 14.4532 14.4532 15.5834 15.5834 17.4367 17.4367 k =-0.2885 0.2608 0.0000 ( 2810 PWs) bands (ev): -0.7014 -0.7014 0.7673 0.7673 3.6010 3.6010 3.7481 3.7481 3.8680 3.8680 4.3735 4.3735 4.9068 4.9068 5.1948 5.1948 5.4741 5.4741 5.6679 5.6679 5.9305 5.9305 6.6536 6.6536 7.2543 7.2543 7.5640 7.5640 9.0767 9.0767 10.0784 10.0784 10.1345 10.1345 10.9742 10.9742 11.7073 11.7073 14.3275 14.3275 15.7409 15.7409 17.2669 17.2669 k =-0.2981 0.2695 0.0000 ( 2812 PWs) bands (ev): -0.6548 -0.6548 0.7505 0.7505 3.6043 3.6043 3.7496 3.7496 3.8728 3.8728 4.3857 4.3857 4.9028 4.9028 5.2040 5.2040 5.4777 5.4777 5.6705 5.6705 5.9384 5.9384 6.6494 6.6494 7.2417 7.2417 7.4934 7.4934 9.1705 9.1705 9.9955 9.9955 10.0764 10.0764 10.9145 10.9145 11.6269 11.6269 14.1837 14.1837 15.9147 15.9147 17.1047 17.1047 k =-0.3077 0.2782 0.0000 ( 2808 PWs) bands (ev): -0.6092 -0.6092 0.7343 0.7343 3.6084 3.6084 3.7512 3.7512 3.8782 3.8782 4.3983 4.3983 4.8997 4.8997 5.2150 5.2150 5.4816 5.4816 5.6743 5.6743 5.9466 5.9466 6.6454 6.6454 7.2287 7.2287 7.4242 7.4242 9.2560 9.2560 9.8924 9.8924 10.0438 10.0438 10.8605 10.8605 11.5492 11.5492 14.0309 14.0309 16.0853 16.0853 16.9612 16.9612 k =-0.3173 0.2869 0.0000 ( 2814 PWs) bands (ev): -0.5650 -0.5650 0.7187 0.7187 3.6133 3.6133 3.7529 3.7529 3.8845 3.8845 4.4112 4.4112 4.8975 4.8975 5.2274 5.2274 5.4858 5.4858 5.6792 5.6792 5.9553 5.9553 6.6414 6.6414 7.2149 7.2149 7.3565 7.3565 9.3287 9.3287 9.7873 9.7873 10.0245 10.0245 10.8123 10.8123 11.4741 11.4741 13.8743 13.8743 16.2181 16.2181 16.8667 16.8667 k =-0.3269 0.2956 0.0000 ( 2814 PWs) bands (ev): -0.5223 -0.5223 0.7040 0.7040 3.6190 3.6190 3.7546 3.7546 3.8918 3.8918 4.4239 4.4239 4.8962 4.8962 5.2410 5.2410 5.4902 5.4902 5.6853 5.6853 5.9644 5.9644 6.6374 6.6374 7.1997 7.1997 7.2907 7.2907 9.3830 9.3830 9.6845 9.6845 10.0210 10.0210 10.7707 10.7707 11.4016 11.4016 13.7174 13.7174 16.2502 16.2502 16.8811 16.8811 k =-0.3365 0.3043 0.0000 ( 2808 PWs) bands (ev): -0.4815 -0.4815 0.6904 0.6904 3.6254 3.6254 3.7563 3.7563 3.9004 3.9004 4.4363 4.4363 4.8960 4.8960 5.2554 5.2554 5.4948 5.4948 5.6927 5.6927 5.9740 5.9740 6.6331 6.6331 7.1818 7.1818 7.2276 7.2276 9.4145 9.4145 9.5862 9.5862 10.0363 10.0363 10.7364 10.7364 11.3310 11.3310 13.5626 13.5626 16.1711 16.1711 17.0133 17.0133 k =-0.3462 0.3130 0.0000 ( 2804 PWs) bands (ev): -0.4429 -0.4429 0.6781 0.6781 3.6324 3.6324 3.7579 3.7579 3.9104 3.9104 4.4479 4.4479 4.8969 4.8969 5.2704 5.2704 5.4998 5.4998 5.7014 5.7014 5.9842 5.9842 6.6285 6.6285 7.1531 7.1531 7.1748 7.1748 9.4219 9.4219 9.4948 9.4948 10.0694 10.0694 10.7108 10.7108 11.2620 11.2620 13.4119 13.4119 16.0390 16.0390 17.2036 17.2036 k =-0.3558 0.3217 0.0000 ( 2806 PWs) bands (ev): -0.4067 -0.4067 0.6672 0.6672 3.6398 3.6398 3.7593 3.7593 3.9221 3.9221 4.4586 4.4586 4.8989 4.8989 5.2854 5.2854 5.5051 5.5051 5.7115 5.7115 5.9949 5.9949 6.6233 6.6233 7.0994 7.0994 7.1463 7.1463 9.3988 9.3988 9.4226 9.4226 10.1135 10.1135 10.6961 10.6961 11.1943 11.1943 13.2668 13.2668 15.8884 15.8884 17.4158 17.4158 k =-0.3654 0.3304 0.0000 ( 2804 PWs) bands (ev): -0.3730 -0.3730 0.6578 0.6578 3.6474 3.6474 3.7607 3.7607 3.9357 3.9357 4.4679 4.4679 4.9020 4.9020 5.3003 5.3003 5.5107 5.5107 5.7229 5.7229 6.0062 6.0062 6.6172 6.6172 7.0425 7.0425 7.1200 7.1200 9.3306 9.3306 9.3917 9.3917 10.1594 10.1594 10.6946 10.6946 11.1283 11.1283 13.1288 13.1288 15.7318 15.7318 17.6295 17.6295 k =-0.3750 0.3391 0.0000 ( 2804 PWs) bands (ev): -0.3421 -0.3421 0.6501 0.6501 3.6550 3.6550 3.7618 3.7618 3.9513 3.9513 4.4755 4.4755 4.9061 4.9061 5.3147 5.3147 5.5165 5.5165 5.7358 5.7358 6.0183 6.0183 6.6099 6.6099 6.9874 6.9874 7.0909 7.0909 9.2668 9.2668 9.3591 9.3591 10.1983 10.1983 10.7073 10.7073 11.0657 11.0657 12.9989 12.9989 15.5743 15.5743 17.6857 17.6857 k =-0.3846 0.3478 0.0000 ( 2804 PWs) bands (ev): -0.3141 -0.3141 0.6440 0.6440 3.6624 3.6624 3.7629 3.7629 3.9691 3.9691 4.4812 4.4812 4.9113 4.9113 5.3282 5.3282 5.5227 5.5227 5.7501 5.7501 6.0311 6.0311 6.6009 6.6009 6.9350 6.9350 7.0583 7.0583 9.2140 9.2140 9.3228 9.3228 10.2250 10.2250 10.7288 10.7288 11.0128 11.0128 12.8782 12.8782 15.4184 15.4184 17.6685 17.6685 k =-0.3942 0.3565 0.0000 ( 2804 PWs) bands (ev): -0.2890 -0.2890 0.6394 0.6394 3.6696 3.6696 3.7638 3.7638 3.9892 3.9892 4.4847 4.4847 4.9174 4.9174 5.3406 5.3406 5.5290 5.5290 5.7658 5.7658 6.0446 6.0446 6.5898 6.5898 6.8856 6.8856 7.0227 7.0227 9.1734 9.1734 9.2852 9.2852 10.2388 10.2388 10.7399 10.7399 10.9861 10.9861 12.7675 12.7675 15.2659 15.2659 17.6506 17.6506 k =-0.4038 0.3652 0.0000 ( 2808 PWs) bands (ev): -0.2668 -0.2668 0.6363 0.6363 3.6762 3.6762 3.7645 3.7645 4.0115 4.0115 4.4858 4.4858 4.9243 4.9243 5.3518 5.3518 5.5355 5.5355 5.7828 5.7828 6.0590 6.0590 6.5760 6.5760 6.8392 6.8392 6.9850 6.9850 9.1450 9.1450 9.2479 9.2479 10.2424 10.2424 10.7156 10.7156 11.0059 11.0059 12.6672 12.6672 15.1179 15.1179 17.6338 17.6338 k =-0.4135 0.3739 0.0000 ( 2812 PWs) bands (ev): -0.2475 -0.2475 0.6346 0.6346 3.6822 3.6822 3.7652 3.7652 4.0359 4.0359 4.4844 4.4844 4.9318 4.9318 5.3617 5.3617 5.5419 5.5419 5.8012 5.8012 6.0741 6.0741 6.5591 6.5591 6.7956 6.7956 6.9465 6.9465 9.1284 9.1284 9.2126 9.2126 10.2394 10.2394 10.6599 10.6599 11.0633 11.0633 12.5778 12.5778 14.9758 14.9758 17.6186 17.6186 k =-0.4231 0.3826 0.0000 ( 2808 PWs) bands (ev): -0.2309 -0.2309 0.6339 0.6339 3.6875 3.6875 3.7657 3.7657 4.0621 4.0621 4.4805 4.4805 4.9396 4.9396 5.3702 5.3702 5.5481 5.5481 5.8207 5.8207 6.0899 6.0899 6.5392 6.5392 6.7540 6.7540 6.9095 6.9095 9.1217 9.1217 9.1810 9.1810 10.2325 10.2325 10.5891 10.5891 11.1379 11.1379 12.4992 12.4992 14.8409 14.8409 17.6049 17.6049 k =-0.4327 0.3913 0.0000 ( 2808 PWs) bands (ev): -0.2170 -0.2170 0.6342 0.6342 3.6922 3.6922 3.7662 3.7662 4.0897 4.0897 4.4739 4.4739 4.9476 4.9476 5.3773 5.3773 5.5540 5.5540 5.8411 5.8411 6.1062 6.1062 6.5167 6.5167 6.7132 6.7132 6.8761 6.8761 9.1189 9.1189 9.1590 9.1590 10.2237 10.2237 10.5124 10.5124 11.2182 11.2182 12.4313 12.4313 14.7145 14.7145 17.5929 17.5929 k =-0.4423 0.4000 0.0000 ( 2814 PWs) bands (ev): -0.2054 -0.2054 0.6351 0.6351 3.6961 3.6961 3.7665 3.7665 4.1182 4.1182 4.4648 4.4648 4.9553 4.9553 5.3832 5.3832 5.5594 5.5594 5.8621 5.8621 6.1227 6.1227 6.4927 6.4927 6.6723 6.6723 6.8480 6.8480 9.1055 9.1055 9.1598 9.1598 10.2143 10.2143 10.4345 10.4345 11.2980 11.2980 12.3738 12.3738 14.5983 14.5983 17.5824 17.5824 k =-0.4519 0.4087 0.0000 ( 2814 PWs) bands (ev): -0.1961 -0.1961 0.6363 0.6363 3.6994 3.6994 3.7668 3.7668 4.1470 4.1470 4.4535 4.4535 4.9625 4.9625 5.3880 5.3880 5.5641 5.5641 5.8832 5.8832 6.1390 6.1390 6.4690 6.4690 6.6312 6.6312 6.8260 6.8260 9.0853 9.0853 9.1779 9.1779 10.2049 10.2049 10.3590 10.3590 11.3731 11.3731 12.3263 12.3263 14.4944 14.4944 17.5736 17.5736 k =-0.4615 0.4173 0.0000 ( 2804 PWs) bands (ev): -0.1887 -0.1887 0.6378 0.6378 3.7020 3.7020 3.7671 3.7671 4.1751 4.1751 4.4403 4.4403 4.9690 4.9690 5.3917 5.3917 5.5681 5.5681 5.9036 5.9036 6.1542 6.1542 6.4474 6.4474 6.5910 6.5910 6.8098 6.8098 9.0666 9.0666 9.2027 9.2027 10.1954 10.1954 10.2897 10.2897 11.4402 11.4402 12.2883 12.2883 14.4047 14.4047 17.5665 17.5665 k =-0.4712 0.4260 0.0000 ( 2804 PWs) bands (ev): -0.1832 -0.1832 0.6391 0.6391 3.7040 3.7040 3.7672 3.7672 4.2013 4.2013 4.4262 4.4262 4.9743 4.9743 5.3944 5.3944 5.5713 5.5713 5.9221 5.9221 6.1674 6.1674 6.4302 6.4302 6.5537 6.5537 6.7983 6.7983 9.0513 9.0513 9.2291 9.2291 10.1832 10.1832 10.2334 10.2334 11.4962 11.4962 12.2592 12.2592 14.3317 14.3317 17.5609 17.5609 k =-0.4808 0.4347 0.0000 ( 2804 PWs) bands (ev): -0.1794 -0.1794 0.6402 0.6402 3.7054 3.7054 3.7674 3.7674 4.2239 4.2239 4.4126 4.4126 4.9783 4.9783 5.3963 5.3963 5.5736 5.5736 5.9373 5.9373 6.1773 6.1773 6.4192 6.4192 6.5219 6.5219 6.7908 6.7908 9.0401 9.0401 9.2528 9.2528 10.1593 10.1593 10.2034 10.2034 11.5385 11.5385 12.2389 12.2389 14.2774 14.2774 17.5569 17.5569 k =-0.4904 0.4434 0.0000 ( 2816 PWs) bands (ev): -0.1772 -0.1772 0.6409 0.6409 3.7062 3.7062 3.7674 3.7674 4.2398 4.2398 4.4021 4.4021 4.9808 4.9808 5.3974 5.3974 5.5750 5.5750 5.9474 5.9474 6.1834 6.1834 6.4145 6.4145 6.4993 6.4993 6.7866 6.7866 9.0333 9.0333 9.2694 9.2694 10.1334 10.1334 10.1945 10.1945 11.5649 11.5649 12.2268 12.2268 14.2439 14.2439 17.5545 17.5545 k =-0.5000 0.4521 0.0000 ( 2818 PWs) bands (ev): -0.1764 -0.1764 0.6411 0.6411 3.7065 3.7065 3.7674 3.7674 4.2458 4.2458 4.3980 4.3980 4.9817 4.9817 5.3978 5.3978 5.5754 5.5754 5.9510 5.9510 6.1854 6.1854 6.4136 6.4136 6.4908 6.4908 6.7852 6.7852 9.0310 9.0310 9.2754 9.2754 10.1234 10.1234 10.1924 10.1924 11.5738 11.5738 12.2228 12.2228 14.2326 14.2326 17.5536 17.5536 k =-0.5000 0.4521 0.0000 ( 2818 PWs) bands (ev): -0.1764 -0.1764 0.6411 0.6411 3.7065 3.7065 3.7674 3.7674 4.2458 4.2458 4.3980 4.3980 4.9817 4.9817 5.3978 5.3978 5.5754 5.5754 5.9510 5.9510 6.1854 6.1854 6.4136 6.4136 6.4908 6.4908 6.7852 6.7852 9.0310 9.0310 9.2754 9.2754 10.1234 10.1234 10.1924 10.1924 11.5738 11.5738 12.2228 12.2228 14.2326 14.2326 17.5536 17.5536 k =-0.4924 0.4605-0.0000 ( 2812 PWs) bands (ev): -0.1766 -0.1766 0.6420 0.6420 3.7064 3.7064 3.7674 3.7674 4.2452 4.2452 4.3975 4.3975 4.9799 4.9799 5.3973 5.3973 5.5752 5.5752 5.9493 5.9493 6.1831 6.1831 6.3812 6.3812 6.4920 6.4920 6.8254 6.8254 9.0247 9.0247 9.2708 9.2708 10.1258 10.1258 10.2005 10.2005 11.5750 11.5750 12.2298 12.2298 14.2315 14.2315 17.5582 17.5582 k =-0.4848 0.4689-0.0000 ( 2809 PWs) bands (ev): -0.1773 -0.1773 0.6444 0.6444 3.7062 3.7062 3.7671 3.7671 4.2437 4.2437 4.3959 4.3959 4.9748 4.9748 5.3958 5.3958 5.5746 5.5746 5.9436 5.9436 6.1743 6.1743 6.3148 6.3148 6.4930 6.4930 6.9202 6.9202 9.0053 9.0053 9.2585 9.2585 10.1325 10.1325 10.2238 10.2238 11.5785 11.5785 12.2509 12.2509 14.2280 14.2280 17.5717 17.5717 k =-0.4772 0.4773-0.0000 ( 2813 PWs) bands (ev): -0.1784 -0.1784 0.6485 0.6485 3.7058 3.7058 3.7666 3.7666 4.2411 4.2411 4.3933 4.3933 4.9660 4.9660 5.3934 5.3934 5.5734 5.5734 5.9324 5.9324 6.1502 6.1502 6.2550 6.2550 6.4935 6.4935 7.0401 7.0401 8.9728 8.9728 9.2419 9.2419 10.1428 10.1428 10.2599 10.2599 11.5843 11.5843 12.2861 12.2861 14.2225 14.2225 17.5940 17.5940 k =-0.4696 0.4857-0.0000 ( 2817 PWs) bands (ev): -0.1799 -0.1799 0.6541 0.6541 3.7052 3.7052 3.7659 3.7659 4.2375 4.2375 4.3892 4.3892 4.9537 4.9537 5.3899 5.3899 5.5715 5.5715 5.9126 5.9126 6.1048 6.1048 6.2236 6.2236 6.4936 6.4936 7.1724 7.1724 8.9280 8.9280 9.2242 9.2242 10.1566 10.1566 10.3052 10.3052 11.5924 11.5924 12.3352 12.3352 14.2150 14.2150 17.6249 17.6249 k =-0.4620 0.4941-0.0000 ( 2825 PWs) bands (ev): -0.1820 -0.1820 0.6614 0.6614 3.7045 3.7045 3.7650 3.7650 4.2330 4.2330 4.3835 4.3835 4.9378 4.9378 5.3853 5.3853 5.5685 5.5685 5.8801 5.8801 6.0581 6.0581 6.2099 6.2099 6.4936 6.4936 7.3123 7.3123 8.8731 8.8731 9.2068 9.2068 10.1741 10.1741 10.3558 10.3558 11.6026 11.6026 12.3982 12.3982 14.2060 14.2060 17.6641 17.6641 k =-0.4544 0.5025-0.0000 ( 2821 PWs) bands (ev): -0.1847 -0.1847 0.6702 0.6702 3.7037 3.7037 3.7640 3.7640 4.2275 4.2275 4.3758 4.3758 4.9183 4.9183 5.3797 5.3797 5.5639 5.5639 5.8359 5.8359 6.0247 6.0247 6.2015 6.2015 6.4936 6.4936 7.4573 7.4573 8.8112 8.8112 9.1900 9.1900 10.1955 10.1955 10.4090 10.4090 11.6150 11.6150 12.4748 12.4748 14.1958 14.1958 17.7113 17.7113 k =-0.4544 0.5025-0.0000 ( 2821 PWs) bands (ev): -0.1847 -0.1847 0.6702 0.6702 3.7037 3.7037 3.7640 3.7640 4.2275 4.2275 4.3758 4.3758 4.9183 4.9183 5.3797 5.3797 5.5639 5.5639 5.8359 5.8359 6.0247 6.0247 6.2015 6.2015 6.4936 6.4936 7.4573 7.4573 8.8112 8.8112 9.1900 9.1900 10.1955 10.1955 10.4090 10.4090 11.6150 11.6150 12.4748 12.4748 14.1958 14.1958 17.7113 17.7113 k =-0.4544 0.5025 0.0131 ( 2822 PWs) bands (ev): -0.1838 -0.1838 0.6700 0.6700 3.7036 3.7036 3.7639 3.7639 4.2272 4.2272 4.3769 4.3769 4.9190 4.9190 5.3794 5.3794 5.5642 5.5642 5.8340 5.8340 6.0269 6.0269 6.2020 6.2020 6.4934 6.4934 7.4587 7.4587 8.7736 8.7736 9.2254 9.2254 10.1802 10.1802 10.4049 10.4049 11.6326 11.6326 12.4618 12.4618 14.2182 14.2182 17.7162 17.7162 k =-0.4544 0.5025 0.0262 ( 2815 PWs) bands (ev): -0.1814 -0.1814 0.6692 0.6692 3.7033 3.7033 3.7636 3.7636 4.2262 4.2262 4.3803 4.3803 4.9212 4.9212 5.3783 5.3783 5.5650 5.5650 5.8285 5.8285 6.0332 6.0332 6.2034 6.2034 6.4926 6.4926 7.4628 7.4628 8.6869 8.6869 9.3054 9.3054 10.1364 10.1364 10.3929 10.3929 11.6831 11.6831 12.4256 12.4256 14.2828 14.2828 17.7309 17.7309 k =-0.4544 0.5025 0.0393 ( 2810 PWs) bands (ev): -0.1772 -0.1772 0.6680 0.6680 3.7028 3.7028 3.7632 3.7632 4.2250 4.2250 4.3856 4.3856 4.9248 4.9248 5.3766 5.3766 5.5664 5.5664 5.8204 5.8204 6.0427 6.0427 6.2059 6.2059 6.4914 6.4914 7.4698 7.4698 8.5811 8.5811 9.3985 9.3985 10.0694 10.0694 10.3738 10.3738 11.7609 11.7609 12.3732 12.3732 14.3836 14.3836 17.7553 17.7553 k =-0.4544 0.5025 0.0524 ( 2812 PWs) bands (ev): -0.1714 -0.1714 0.6663 0.6663 3.7018 3.7018 3.7627 3.7627 4.2237 4.2237 4.3923 4.3923 4.9300 4.9300 5.3743 5.3743 5.5685 5.5685 5.8106 5.8106 6.0545 6.0545 6.2094 6.2094 6.4897 6.4897 7.4795 7.4795 8.4686 8.4686 9.4890 9.4890 9.9859 9.9859 10.3487 10.3487 11.8598 11.8598 12.3136 12.3136 14.5132 14.5132 17.7892 17.7892 k =-0.4544 0.5025 0.0655 ( 2809 PWs) bands (ev): -0.1641 -0.1641 0.6641 0.6641 3.7004 3.7004 3.7622 3.7622 4.2229 4.2229 4.3999 4.3999 4.9367 4.9367 5.3712 5.3712 5.5712 5.5712 5.8001 5.8001 6.0675 6.0675 6.2141 6.2141 6.4875 6.4875 7.4919 7.4919 8.3544 8.3544 9.5664 9.5664 9.8940 9.8940 10.3188 10.3188 11.9737 11.9737 12.2558 12.2558 14.6650 14.6650 17.8325 17.8325 k =-0.4544 0.5025 0.0786 ( 2802 PWs) bands (ev): -0.1551 -0.1551 0.6613 0.6613 3.6984 3.6984 3.7617 3.7617 4.2229 4.2229 4.4078 4.4078 4.9450 4.9450 5.3675 5.3675 5.5747 5.5747 5.7895 5.7895 6.0809 6.0809 6.2202 6.2202 6.4850 6.4850 7.5070 7.5070 8.2411 8.2411 9.6137 9.6137 9.8078 9.8078 10.2862 10.2862 12.0949 12.0949 12.2112 12.2112 14.8339 14.8339 17.8851 17.8851 k =-0.4544 0.5025 0.0917 ( 2802 PWs) bands (ev): -0.1446 -0.1446 0.6581 0.6581 3.6956 3.6956 3.7612 3.7612 4.2239 4.2239 4.4156 4.4156 4.9550 4.9550 5.3633 5.3633 5.5790 5.5790 5.7796 5.7796 6.0942 6.0942 6.2277 6.2277 6.4822 6.4822 7.5247 7.5247 8.1298 8.1298 9.5921 9.5921 9.7624 9.7624 10.2538 10.2538 12.1549 12.1549 12.2517 12.2517 15.0158 15.0158 17.9465 17.9465 k =-0.4544 0.5025 0.1048 ( 2803 PWs) bands (ev): -0.1326 -0.1326 0.6543 0.6543 3.6920 3.6920 3.7608 3.7608 4.2260 4.2260 4.4229 4.4229 4.9665 4.9665 5.3584 5.3584 5.5842 5.5842 5.7710 5.7710 6.1069 6.1069 6.2366 6.2366 6.4791 6.4791 7.5450 7.5450 8.0215 8.0215 9.5039 9.5039 9.7514 9.7514 10.2247 10.2247 12.1478 12.1478 12.3861 12.3861 15.2077 15.2077 18.0166 18.0166 k =-0.4544 0.5025 0.1179 ( 2809 PWs) bands (ev): -0.1192 -0.1192 0.6500 0.6500 3.6877 3.6877 3.7603 3.7603 4.2293 4.2293 4.4294 4.4294 4.9796 4.9796 5.3531 5.3531 5.5901 5.5901 5.7641 5.7641 6.1189 6.1189 6.2469 6.2469 6.4758 6.4758 7.5677 7.5677 7.9169 7.9169 9.3947 9.3947 9.7279 9.7279 10.2001 10.2001 12.1589 12.1589 12.5312 12.5312 15.4075 15.4075 18.0949 18.0949 k =-0.4544 0.5025 0.1310 ( 2817 PWs) bands (ev): -0.1044 -0.1044 0.6451 0.6451 3.6828 3.6828 3.7598 3.7598 4.2339 4.2339 4.4349 4.4349 4.9939 4.9939 5.3474 5.3474 5.5969 5.5969 5.7594 5.7594 6.1300 6.1300 6.2585 6.2585 6.4725 6.4725 7.5926 7.5926 7.8163 7.8163 9.2798 9.2798 9.6798 9.6798 10.1774 10.1774 12.1948 12.1948 12.6809 12.6809 15.6132 15.6132 18.1813 18.1813 k =-0.4544 0.5025 0.1441 ( 2815 PWs) bands (ev): -0.0882 -0.0882 0.6396 0.6396 3.6772 3.6772 3.7590 3.7590 4.2397 4.2397 4.4392 4.4392 5.0094 5.0094 5.3414 5.3414 5.6044 5.6044 5.7577 5.7577 6.1404 6.1404 6.2711 6.2711 6.4693 6.4693 7.6194 7.6194 7.7204 7.7204 9.1637 9.1637 9.6094 9.6094 10.1522 10.1522 12.2558 12.2558 12.8334 12.8334 15.8236 15.8236 18.2754 18.2754 k =-0.4544 0.5025 0.1572 ( 2814 PWs) bands (ev): -0.0708 -0.0708 0.6336 0.6336 3.6712 3.6712 3.7579 3.7579 4.2464 4.2464 4.4422 4.4422 5.0257 5.0257 5.3352 5.3352 5.6123 5.6123 5.7595 5.7595 6.1503 6.1503 6.2844 6.2844 6.4664 6.4664 7.6255 7.6255 7.6515 7.6515 9.0481 9.0481 9.5219 9.5219 10.1211 10.1211 12.3400 12.3400 12.9879 12.9879 16.0373 16.0373 18.3768 18.3768 k =-0.4544 0.5025 0.1703 ( 2812 PWs) bands (ev): -0.0522 -0.0522 0.6269 0.6269 3.6649 3.6649 3.7563 3.7563 4.2539 4.2539 4.4439 4.4439 5.0424 5.0424 5.3290 5.3290 5.6206 5.6206 5.7652 5.7652 6.1598 6.1598 6.2981 6.2981 6.4640 6.4640 7.5408 7.5408 7.6795 7.6795 8.9345 8.9345 9.4218 9.4218 10.0827 10.0827 12.4447 12.4447 13.1434 13.1434 16.2533 16.2533 18.4852 18.4852 k =-0.4544 0.5025 0.1834 ( 2812 PWs) bands (ev): -0.0325 -0.0325 0.6195 0.6195 3.6585 3.6585 3.7542 3.7542 4.2621 4.2621 4.4442 4.4442 5.0592 5.0592 5.3229 5.3229 5.6291 5.6291 5.7755 5.7755 6.1693 6.1693 6.3119 6.3119 6.4624 6.4624 7.4590 7.4590 7.7101 7.7101 8.8241 8.8241 9.3125 9.3125 10.0371 10.0371 12.5664 12.5664 13.2994 13.2994 16.4704 16.4704 18.6002 18.6002 k =-0.4544 0.5025 0.1965 ( 2812 PWs) bands (ev): -0.0118 -0.0118 0.6115 0.6115 3.6520 3.6520 3.7516 3.7516 4.2705 4.2705 4.4434 4.4434 5.0756 5.0756 5.3171 5.3171 5.6379 5.6379 5.7902 5.7902 6.1790 6.1790 6.3256 6.3256 6.4618 6.4618 7.3820 7.3820 7.7405 7.7405 8.7183 8.7183 9.1966 9.1966 9.9851 9.9851 12.7019 12.7019 13.4549 13.4549 16.6876 16.6876 18.7214 18.7214 k =-0.4544 0.5025 0.2096 ( 2816 PWs) bands (ev): 0.0098 0.0098 0.6028 0.6028 3.6457 3.6457 3.7483 3.7483 4.2791 4.2791 4.4415 4.4415 5.0912 5.0912 5.3117 5.3117 5.6473 5.6473 5.8093 5.8093 6.1892 6.1892 6.3389 6.3389 6.4627 6.4627 7.3100 7.3100 7.7692 7.7692 8.6188 8.6188 9.0762 9.0762 9.9277 9.9277 12.8482 12.8482 13.6093 13.6093 16.9038 16.9038 18.8484 18.8484 k =-0.4544 0.5025 0.2227 ( 2810 PWs) bands (ev): 0.0323 0.0323 0.5933 0.5933 3.6397 3.6397 3.7443 3.7443 4.2875 4.2875 4.4385 4.4385 5.1058 5.1058 5.3069 5.3069 5.6575 5.6575 5.8320 5.8320 6.2002 6.2002 6.3519 6.3519 6.4653 6.4653 7.2428 7.2428 7.7937 7.7937 8.5285 8.5285 8.9529 8.9529 9.8659 9.8659 13.0029 13.0029 13.7618 13.7618 17.1177 17.1177 18.9807 18.9807 k =-0.4544 0.5025 0.2358 ( 2810 PWs) bands (ev): 0.0554 0.0554 0.5831 0.5831 3.6342 3.6342 3.7396 3.7396 4.2956 4.2956 4.4347 4.4347 5.1189 5.1189 5.3028 5.3028 5.6691 5.6691 5.8575 5.8575 6.2123 6.2123 6.3645 6.3645 6.4699 6.4699 7.1805 7.1805 7.8104 7.8104 8.4511 8.4511 8.8280 8.8280 9.8007 9.8007 13.1636 13.1636 13.9115 13.9115 17.3280 17.3280 19.1177 19.1177 k =-0.4544 0.5025 0.2489 ( 2809 PWs) bands (ev): 0.0792 0.0792 0.5720 0.5720 3.6292 3.6292 3.7343 3.7343 4.3031 4.3031 4.4301 4.4301 5.1306 5.1306 5.2994 5.2994 5.6823 5.6823 5.8845 5.8845 6.2260 6.2260 6.3773 6.3773 6.4767 6.4767 7.1228 7.1228 7.8145 7.8145 8.3917 8.3917 8.7028 8.7028 9.7328 9.7328 13.3282 13.3282 14.0573 14.0573 17.5333 17.5333 19.2586 19.2586 k =-0.4544 0.5025 0.2620 ( 2810 PWs) bands (ev): 0.1034 0.1034 0.5602 0.5602 3.6248 3.6248 3.7282 3.7282 4.3101 4.3101 4.4250 4.4250 5.1406 5.1406 5.2967 5.2967 5.6973 5.6973 5.9115 5.9115 6.2418 6.2418 6.3909 6.3909 6.4857 6.4857 7.0697 7.0697 7.8014 7.8014 8.3551 8.3551 8.5785 8.5785 9.6627 9.6627 13.4951 13.4951 14.1981 14.1981 17.7317 17.7317 19.4023 19.4023 k =-0.4544 0.5025 0.2751 ( 2804 PWs) bands (ev): 0.1281 0.1281 0.5474 0.5474 3.6213 3.6213 3.7216 3.7216 4.3164 4.3164 4.4195 4.4195 5.1491 5.1491 5.2947 5.2947 5.7143 5.7143 5.9367 5.9367 6.2601 6.2601 6.4060 6.4060 6.4968 6.4968 7.0210 7.0210 7.7695 7.7695 8.3416 8.3416 8.4574 8.4574 9.5911 9.5911 13.6623 13.6623 14.3325 14.3325 17.9215 17.9215 19.5476 19.5476 k =-0.4544 0.5025 0.2882 ( 2805 PWs) bands (ev): 0.1530 0.1530 0.5338 0.5338 3.6187 3.6187 3.7143 3.7143 4.3219 4.3219 4.4136 4.4136 5.1560 5.1560 5.2933 5.2933 5.7333 5.7333 5.9585 5.9585 6.2810 6.2810 6.4236 6.4236 6.5099 6.5099 6.9765 6.9765 7.7224 7.7224 8.3152 8.3152 8.3735 8.3735 9.5183 9.5183 13.8282 13.8282 14.4590 14.4590 18.1005 18.1005 19.6924 19.6924 k =-0.4544 0.5025 0.3013 ( 2808 PWs) bands (ev): 0.1780 0.1780 0.5193 0.5193 3.6170 3.6170 3.7066 3.7066 4.3269 4.3269 4.4077 4.4077 5.1617 5.1617 5.2923 5.2923 5.7539 5.7539 5.9756 5.9756 6.3041 6.3041 6.4446 6.4446 6.5251 6.5251 6.9363 6.9363 7.6661 7.6661 8.2071 8.2071 8.3909 8.3909 9.4448 9.4448 13.9908 13.9908 14.5758 14.5758 18.2665 18.2665 19.8345 19.8345 k =-0.4544 0.5025 0.3144 ( 2804 PWs) bands (ev): 0.2031 0.2031 0.5039 0.5039 3.6163 3.6163 3.6984 3.6984 4.3312 4.3312 4.4017 4.4017 5.1662 5.1662 5.2918 5.2918 5.7759 5.7759 5.9871 5.9871 6.3284 6.3284 6.4688 6.4688 6.5429 6.5429 6.9002 6.9002 7.6067 7.6067 8.0934 8.0934 8.4295 8.4295 9.3708 9.3708 14.1483 14.1483 14.6809 14.6809 18.4174 18.4174 19.9425 19.9425 k =-0.4544 0.5025 0.3275 ( 2806 PWs) bands (ev): 0.2281 0.2281 0.4875 0.4875 3.6166 3.6166 3.6900 3.6900 4.3351 4.3351 4.3958 4.3958 5.1697 5.1697 5.2914 5.2914 5.7989 5.7989 5.9931 5.9931 6.3524 6.3524 6.4950 6.4950 6.5641 6.5641 6.8682 6.8682 7.5491 7.5491 7.9833 7.9833 8.4771 8.4771 9.2967 9.2967 14.2986 14.2986 14.7722 14.7722 18.5515 18.5515 19.7766 19.7766 k =-0.4544 0.5025 0.3406 ( 2806 PWs) bands (ev): 0.2529 0.2529 0.4702 0.4702 3.6181 3.6181 3.6815 3.6815 4.3386 4.3386 4.3902 4.3902 5.1724 5.1724 5.2913 5.2913 5.8224 5.8224 5.9940 5.9940 6.3749 6.3749 6.5203 6.5203 6.5899 6.5899 6.8404 6.8404 7.4970 7.4970 7.8788 7.8788 8.5308 8.5308 9.2229 9.2229 14.4393 14.4393 14.8473 14.8473 18.6678 18.6678 19.6235 19.6235 k =-0.4544 0.5025 0.3537 ( 2810 PWs) bands (ev): 0.2774 0.2774 0.4520 0.4520 3.6205 3.6205 3.6730 3.6730 4.3417 4.3417 4.3851 4.3851 5.1745 5.1745 5.2912 5.2912 5.8459 5.8459 5.9903 5.9903 6.3951 6.3951 6.5418 6.5418 6.6200 6.6200 6.8170 6.8170 7.4542 7.4542 7.7817 7.7817 8.5887 8.5887 9.1495 9.1495 14.5680 14.5680 14.9041 14.9041 18.7672 18.7672 19.4851 19.4851 k =-0.4544 0.5025 0.3668 ( 2808 PWs) bands (ev): 0.3015 0.3015 0.4329 0.4329 3.6240 3.6240 3.6646 3.6646 4.3445 4.3445 4.3805 4.3805 5.1760 5.1760 5.2912 5.2912 5.8685 5.8685 5.9830 5.9830 6.4121 6.4121 6.5587 6.5587 6.6509 6.6509 6.7983 6.7983 7.4237 7.4237 7.6944 7.6944 8.6496 8.6496 9.0773 9.0773 14.6821 14.6821 14.9404 14.9404 18.8522 18.8522 19.3622 19.3622 k =-0.4544 0.5025 0.3800 ( 2808 PWs) bands (ev): 0.3251 0.3251 0.4129 0.4129 3.6284 3.6284 3.6567 3.6567 4.3469 4.3469 4.3767 4.3767 5.1771 5.1771 5.2911 5.2911 5.8895 5.8895 5.9728 5.9728 6.4252 6.4252 6.5709 6.5709 6.6780 6.6780 6.7843 6.7843 7.4076 7.4076 7.6207 7.6207 8.7120 8.7120 9.0070 9.0070 14.7790 14.7790 14.9544 14.9544 18.9272 18.9272 19.2553 19.2553 k =-0.4544 0.5025 0.3931 ( 2814 PWs) bands (ev): 0.3481 0.3481 0.3920 0.3920 3.6332 3.6332 3.6497 3.6497 4.3486 4.3486 4.3741 4.3741 5.1777 5.1777 5.2911 5.2911 5.9071 5.9071 5.9619 5.9619 6.4336 6.4336 6.5783 6.5783 6.6968 6.6968 6.7752 6.7752 7.4043 7.4043 7.5675 7.5675 8.7723 8.7723 8.9421 8.9421 14.8562 14.8562 14.9453 14.9453 18.9966 18.9966 19.1644 19.1645 k =-0.4544 0.5025 0.4062 ( 2818 PWs) bands (ev): 0.3701 0.3701 0.3708 0.3708 3.6364 3.6364 3.6459 3.6459 4.3493 4.3493 4.3731 4.3731 5.1779 5.1779 5.2911 5.2911 5.9152 5.9152 5.9559 5.9559 6.4365 6.4365 6.5808 6.5808 6.7037 6.7037 6.7719 6.7719 7.4057 7.4057 7.5468 7.5468 8.8082 8.8082 8.9047 8.9047 14.9079 14.9079 14.9166 14.9166 19.0463 19.0463 19.1071 19.1071 k =-0.4544 0.5025 0.4062 ( 2818 PWs) bands (ev): 0.3701 0.3701 0.3708 0.3708 3.6364 3.6364 3.6459 3.6459 4.3493 4.3493 4.3731 4.3731 5.1779 5.1779 5.2911 5.2911 5.9152 5.9152 5.9559 5.9559 6.4365 6.4365 6.5808 6.5808 6.7037 6.7037 6.7719 6.7719 7.4057 7.4057 7.5468 7.5468 8.8082 8.8082 8.9047 8.9047 14.9079 14.9079 14.9166 14.9166 19.0463 19.0463 19.1071 19.1071 k =-0.4620 0.4941 0.4062 ( 2810 PWs) bands (ev): 0.3666 0.3666 0.3671 0.3671 3.6381 3.6381 3.6461 3.6461 4.3635 4.3635 4.3824 4.3824 5.1976 5.1976 5.2907 5.2907 5.9294 5.9294 5.9622 5.9622 6.4788 6.4788 6.6249 6.6249 6.6868 6.6868 6.7806 6.7806 7.4270 7.4270 7.5705 7.5705 8.6714 8.6714 8.7680 8.7680 14.9012 14.9012 14.9085 14.9085 19.1171 19.1171 19.1707 19.1707 k =-0.4696 0.4857 0.4062 ( 2806 PWs) bands (ev): 0.3636 0.3636 0.3641 0.3641 3.6396 3.6396 3.6460 3.6460 4.3754 4.3754 4.3898 4.3898 5.2151 5.2151 5.2888 5.2888 5.9418 5.9418 5.9673 5.9673 6.5089 6.5089 6.6299 6.6299 6.7085 6.7085 6.7967 6.7967 7.4559 7.4559 7.5954 7.5954 8.5476 8.5476 8.6416 8.6416 14.8958 14.8958 14.9017 14.9017 19.1808 19.1808 19.2261 19.2261 k =-0.4772 0.4773 0.4062 ( 2806 PWs) bands (ev): 0.3613 0.3613 0.3616 0.3616 3.6410 3.6410 3.6458 3.6458 4.3849 4.3849 4.3954 4.3954 5.2305 5.2305 5.2853 5.2853 5.9522 5.9522 5.9709 5.9709 6.5290 6.5290 6.6133 6.6133 6.7490 6.7490 6.8152 6.8152 7.4926 7.4926 7.6186 7.6186 8.4424 8.4424 8.5282 8.5282 14.8917 14.8917 14.8961 14.8961 19.2355 19.2355 19.2711 19.2711 k =-0.4848 0.4689 0.4062 ( 2804 PWs) bands (ev): 0.3596 0.3596 0.3598 0.3598 3.6422 3.6422 3.6455 3.6455 4.3922 4.3922 4.3990 4.3990 5.2440 5.2440 5.2802 5.2802 5.9605 5.9605 5.9728 5.9728 6.5431 6.5431 6.5958 6.5958 6.7855 6.7855 6.8297 6.8297 7.5353 7.5353 7.6341 7.6341 8.3635 8.3635 8.4323 8.4323 14.8890 14.8890 14.8919 14.8919 19.2787 19.2787 19.3035 19.3035 k =-0.4924 0.4605 0.4062 ( 2800 PWs) bands (ev): 0.3586 0.3586 0.3587 0.3587 3.6433 3.6433 3.6449 3.6449 4.3972 4.3972 4.4005 4.4005 5.2555 5.2555 5.2736 5.2736 5.9667 5.9667 5.9728 5.9728 6.5549 6.5549 6.5802 6.5802 6.8132 6.8132 6.8354 6.8354 7.5790 7.5790 7.6345 7.6345 8.3207 8.3207 8.3600 8.3600 14.8876 14.8876 14.8891 14.8891 19.3084 19.3084 19.3211 19.3211 k =-0.5000 0.4521 0.4062 ( 2796 PWs) bands (ev): 0.3583 0.3583 0.3583 0.3583 3.6442 3.6442 3.6442 3.6442 4.3999 4.3999 4.3999 4.3999 5.2654 5.2654 5.2654 5.2654 5.9708 5.9708 5.9708 5.9708 6.5668 6.5668 6.5668 6.5668 6.8301 6.8301 6.8301 6.8301 7.6151 7.6151 7.6151 7.6151 8.3201 8.3201 8.3201 8.3201 14.8876 14.8876 14.8876 14.8876 19.3229 19.3229 19.3229 19.3229 k =-0.5000 0.4521 0.4062 ( 2796 PWs) bands (ev): 0.3583 0.3583 0.3583 0.3583 3.6442 3.6442 3.6442 3.6442 4.3999 4.3999 4.3999 4.3999 5.2654 5.2654 5.2654 5.2654 5.9708 5.9708 5.9708 5.9708 6.5668 6.5668 6.5668 6.5668 6.8301 6.8301 6.8301 6.8301 7.6151 7.6151 7.6151 7.6151 8.3201 8.3201 8.3201 8.3201 14.8876 14.8876 14.8876 14.8876 19.3229 19.3229 19.3229 19.3229 k =-0.5000 0.4521 0.3931 ( 2796 PWs) bands (ev): 0.3370 0.3370 0.3789 0.3789 3.6376 3.6376 3.6515 3.6515 4.3942 4.3942 4.4059 4.4059 5.2605 5.2605 5.2701 5.2701 5.9505 5.9505 5.9891 5.9891 6.5517 6.5517 6.5714 6.5714 6.8046 6.8046 6.8616 6.8616 7.5853 7.5853 7.6595 7.6595 8.2441 8.2441 8.3980 8.3980 14.8340 14.8340 14.9183 14.9183 19.2602 19.2602 19.3953 19.3953 k =-0.5000 0.4521 0.3800 ( 2796 PWs) bands (ev): 0.3150 0.3150 0.3987 0.3987 3.6319 3.6319 3.6594 3.6594 4.3887 4.3887 4.4122 4.4122 5.2554 5.2554 5.2745 5.2745 5.9286 5.9286 6.0049 6.0049 6.5304 6.5304 6.5614 6.5614 6.7884 6.7884 6.8960 6.8960 7.5714 7.5714 7.7160 7.7160 8.1711 8.1711 8.4772 8.4772 14.7586 14.7586 14.9254 14.9254 19.2016 19.2016 19.4816 19.4816 k =-0.5000 0.4521 0.3668 ( 2796 PWs) bands (ev): 0.2925 0.2925 0.4177 0.4177 3.6271 3.6271 3.6677 3.6677 4.3834 4.3834 4.4189 4.4189 5.2499 5.2499 5.2788 5.2788 5.9056 5.9056 6.0176 6.0176 6.5058 6.5058 6.5371 6.5371 6.7815 6.7815 6.9315 6.9315 7.5737 7.5737 7.7800 7.7800 8.1045 8.1045 8.5574 8.5574 14.6633 14.6633 14.9095 14.9095 19.1397 19.1397 19.5841 19.5841 k =-0.5000 0.4521 0.3537 ( 2800 PWs) bands (ev): 0.2694 0.2694 0.4359 0.4359 3.6233 3.6233 3.6763 3.6763 4.3782 4.3782 4.4257 4.4257 5.2441 5.2441 5.2830 5.2830 5.8819 5.8819 6.0268 6.0268 6.4782 6.4782 6.5050 6.5050 6.7803 6.7803 6.9679 6.9679 7.5912 7.5912 7.8396 7.8396 8.0549 8.0549 8.6384 8.6384 14.5503 14.5503 14.8716 14.8716 19.0669 19.0669 19.7037 19.7037 k =-0.5000 0.4521 0.3406 ( 2800 PWs) bands (ev): 0.2459 0.2459 0.4532 0.4532 3.6205 3.6205 3.6851 3.6851 4.3730 4.3730 4.4328 4.4328 5.2379 5.2379 5.2870 5.2870 5.8581 5.8581 6.0315 6.0315 6.4444 6.4444 6.4751 6.4751 6.7809 6.7809 7.0051 7.0051 7.6211 7.6211 7.8610 7.8610 8.0563 8.0563 8.7201 8.7201 14.4221 14.4221 14.8134 14.8134 18.9761 18.9761 19.8394 19.8394 k =-0.5000 0.4521 0.3275 ( 2800 PWs) bands (ev): 0.2222 0.2222 0.4695 0.4695 3.6188 3.6188 3.6939 3.6939 4.3677 4.3677 4.4401 4.4401 5.2313 5.2313 5.2908 5.2908 5.8347 5.8347 6.0308 6.0308 6.4054 6.4054 6.4520 6.4520 6.7809 6.7809 7.0437 7.0437 7.6560 7.6560 7.8354 7.8354 8.1215 8.1215 8.8023 8.8023 14.2811 14.2811 14.7371 14.7371 18.8625 18.8625 19.7791 19.7791 k =-0.5000 0.4521 0.3144 ( 2804 PWs) bands (ev): 0.1982 0.1982 0.4850 0.4850 3.6182 3.6182 3.7025 3.7025 4.3621 4.3621 4.4473 4.4473 5.2240 5.2240 5.2946 5.2946 5.8122 5.8122 6.0237 6.0237 6.3672 6.3672 6.4338 6.4338 6.7795 6.7795 7.0842 7.0842 7.6722 7.6722 7.8188 7.8188 8.2152 8.2152 8.8852 8.8852 14.1297 14.1297 14.6448 14.6448 18.7246 18.7246 19.6370 19.6370 k =-0.5000 0.4521 0.3013 ( 2804 PWs) bands (ev): 0.1741 0.1741 0.4996 0.4996 3.6187 3.6187 3.7108 3.7108 4.3562 4.3562 4.4545 4.4545 5.2160 5.2160 5.2984 5.2984 5.7912 5.7912 6.0096 6.0096 6.3334 6.3334 6.4196 6.4196 6.7766 6.7766 7.1267 7.1267 7.6413 7.6413 7.8538 7.8538 8.3203 8.3203 8.9686 8.9686 13.9702 13.9702 14.5388 14.5388 18.5636 18.5636 19.4967 19.4967 k =-0.5000 0.4521 0.2882 ( 2808 PWs) bands (ev): 0.1500 0.1500 0.5133 0.5133 3.6202 3.6202 3.7188 3.7188 4.3498 4.3498 4.4616 4.4616 5.2072 5.2072 5.3021 5.3021 5.7719 5.7719 5.9886 5.9886 6.3056 6.3056 6.4090 6.4090 6.7723 6.7723 7.1719 7.1719 7.5851 7.5851 7.9213 7.9213 8.4315 8.4315 9.0528 9.0528 13.8044 13.8044 14.4213 14.4213 18.3827 18.3827 19.3585 19.3585 k =-0.5000 0.4521 0.2751 ( 2808 PWs) bands (ev): 0.1261 0.1261 0.5262 0.5262 3.6226 3.6226 3.7262 3.7262 4.3428 4.3428 4.4682 4.4682 5.1975 5.1975 5.3060 5.3060 5.7546 5.7546 5.9621 5.9621 6.2839 6.2839 6.4017 6.4017 6.7670 6.7670 7.2200 7.2200 7.5220 7.5220 8.0030 8.0030 8.5462 8.5462 9.1378 9.1378 13.6342 13.6342 14.2941 14.2941 18.1858 18.1858 19.2224 19.2224 k =-0.5000 0.4521 0.2620 ( 2816 PWs) bands (ev): 0.1024 0.1024 0.5382 0.5382 3.6260 3.6260 3.7330 3.7330 4.3353 4.3353 4.4744 4.4744 5.1869 5.1869 5.3101 5.3101 5.7394 5.7394 5.9322 5.9322 6.2672 6.2672 6.3975 6.3975 6.7608 6.7608 7.2713 7.2713 7.4573 7.4573 8.0934 8.0934 8.6625 8.6625 9.2239 9.2239 13.4613 13.4613 14.1591 14.1591 17.9765 17.9765 19.0889 19.0889 k =-0.5000 0.4521 0.2489 ( 2818 PWs) bands (ev): 0.0790 0.0790 0.5493 0.5493 3.6301 3.6301 3.7392 3.7392 4.3271 4.3271 4.4799 4.4799 5.1751 5.1751 5.3144 5.3144 5.7262 5.7262 5.9013 5.9013 6.2543 6.2543 6.3959 6.3959 6.7540 6.7540 7.3258 7.3258 7.3930 7.3930 8.1902 8.1902 8.7789 8.7789 9.3115 9.3115 13.2872 13.2872 14.0178 14.0178 17.7581 17.7581 18.9584 18.9584 k =-0.5000 0.4521 0.2358 ( 2810 PWs) bands (ev): 0.0561 0.0561 0.5597 0.5597 3.6350 3.6350 3.7447 3.7447 4.3184 4.3184 4.4846 4.4846 5.1623 5.1623 5.3190 5.3190 5.7145 5.7145 5.8719 5.8719 6.2441 6.2441 6.3965 6.3965 6.7466 6.7466 7.3277 7.3277 7.3861 7.3861 8.2921 8.2921 8.8935 8.8935 9.4011 9.4011 13.1135 13.1135 13.8715 13.8715 17.5333 17.5333 18.8312 18.8312 k =-0.5000 0.4521 0.2227 ( 2810 PWs) bands (ev): 0.0337 0.0337 0.5693 0.5693 3.6404 3.6404 3.7495 3.7495 4.3093 4.3093 4.4883 4.4883 5.1485 5.1485 5.3240 5.3240 5.7036 5.7036 5.8459 5.8459 6.2358 6.2358 6.3988 6.3988 6.7386 6.7386 7.2659 7.2659 7.4486 7.4486 8.3982 8.3982 9.0047 9.0047 9.4931 9.4931 12.9417 12.9417 13.7213 13.7213 17.3042 17.3042 18.7078 18.7078 k =-0.5000 0.4521 0.2096 ( 2810 PWs) bands (ev): 0.0120 0.0120 0.5782 0.5782 3.6463 3.6463 3.7535 3.7535 4.3000 4.3000 4.4908 4.4908 5.1338 5.1338 5.3293 5.3293 5.6927 5.6927 5.8250 5.8250 6.2289 6.2289 6.4023 6.4023 6.7300 6.7300 7.2055 7.2055 7.5158 7.5158 8.5079 8.5079 9.1106 9.1106 9.5876 9.5876 12.7735 12.7735 13.5684 13.5684 17.0726 17.0726 18.5885 18.5885 k =-0.5000 0.4521 0.1965 ( 2804 PWs) bands (ev): -0.0088 -0.0088 0.5864 0.5864 3.6525 3.6525 3.7569 3.7569 4.2906 4.2906 4.4921 4.4921 5.1185 5.1185 5.3350 5.3350 5.6810 5.6810 5.8105 5.8105 6.2232 6.2232 6.4067 6.4067 6.7206 6.7206 7.1474 7.1474 7.5875 7.5875 8.6207 8.6207 9.2097 9.2097 9.6845 9.6845 12.6108 12.6108 13.4135 13.4135 16.8399 16.8399 18.4739 18.4739 k =-0.5000 0.4521 0.1834 ( 2804 PWs) bands (ev): -0.0289 -0.0289 0.5939 0.5939 3.6589 3.6589 3.7596 3.7596 4.2813 4.2813 4.4919 4.4919 5.1029 5.1029 5.3410 5.3410 5.6684 5.6684 5.8026 5.8026 6.2183 6.2183 6.4117 6.4117 6.7102 6.7102 7.0921 7.0921 7.6639 7.6639 8.7359 8.7359 9.3008 9.3008 9.7827 9.7827 12.4557 12.4557 13.2575 13.2575 16.6074 16.6074 18.3642 18.3642 k =-0.5000 0.4521 0.1703 ( 2806 PWs) bands (ev): -0.0479 -0.0479 0.6008 0.6008 3.6654 3.6654 3.7617 3.7617 4.2725 4.2725 4.4901 4.4901 5.0872 5.0872 5.3471 5.3471 5.6551 5.6551 5.8008 5.8008 6.2142 6.2142 6.4169 6.4169 6.6984 6.6984 7.0401 7.0401 7.7451 7.7451 8.8530 8.8530 9.3831 9.3831 9.8800 9.8800 12.3112 12.3112 13.1012 13.1012 16.3760 16.3760 18.2600 18.2600 k =-0.5000 0.4521 0.1572 ( 2806 PWs) bands (ev): -0.0659 -0.0659 0.6070 0.6070 3.6717 3.6717 3.7632 3.7632 4.2644 4.2644 4.4867 4.4867 5.0719 5.0719 5.3533 5.3533 5.6421 5.6421 5.8041 5.8041 6.2106 6.2106 6.4221 6.4221 6.6847 6.6847 6.9922 6.9922 7.8309 7.8309 8.9716 8.9716 9.4563 9.4563 9.9732 9.9732 12.1806 12.1806 12.9453 12.9453 16.1470 16.1470 18.1615 18.1615 k =-0.5000 0.4521 0.1441 ( 2802 PWs) bands (ev): -0.0828 -0.0828 0.6127 0.6127 3.6778 3.6778 3.7643 3.7643 4.2572 4.2572 4.4818 4.4818 5.0573 5.0573 5.3595 5.3595 5.6299 5.6299 5.8113 5.8113 6.2076 6.2076 6.4272 6.4272 6.6687 6.6687 6.9490 6.9490 7.9214 7.9214 9.0909 9.0909 9.5201 9.5201 10.0578 10.0578 12.0683 12.0683 12.7904 12.7904 15.9212 15.9212 18.0693 18.0693 k =-0.5000 0.4521 0.1310 ( 2804 PWs) bands (ev): -0.0985 -0.0985 0.6178 0.6178 3.6835 3.6835 3.7649 3.7649 4.2511 4.2511 4.4753 4.4753 5.0437 5.0437 5.3655 5.3655 5.6190 5.6190 5.8217 5.8217 6.2050 6.2050 6.4319 6.4319 6.6499 6.6499 6.9114 6.9114 8.0165 8.0165 9.2099 9.2099 9.5745 9.5745 10.1288 10.1288 11.9794 11.9794 12.6375 12.6375 15.6999 15.6999 17.9835 17.9835 k =-0.5000 0.4521 0.1179 ( 2800 PWs) bands (ev): -0.1129 -0.1129 0.6223 0.6223 3.6887 3.6887 3.7654 3.7654 4.2462 4.2462 4.4675 4.4675 5.0313 5.0313 5.3712 5.3712 5.6094 5.6094 5.8346 5.8346 6.2027 6.2027 6.4361 6.4361 6.6282 6.6282 6.8798 6.8798 8.1160 8.1160 9.3272 9.3272 9.6192 9.6192 10.1816 10.1816 11.9186 11.9186 12.4873 12.4873 15.4840 15.4840 17.9047 17.9047 k =-0.5000 0.4521 0.1048 ( 2800 PWs) bands (ev): -0.1259 -0.1259 0.6263 0.6263 3.6932 3.6932 3.7656 3.7656 4.2427 4.2427 4.4585 4.4585 5.0203 5.0203 5.3765 5.3765 5.6013 5.6013 5.8493 5.8493 6.2005 6.2005 6.4395 6.4395 6.6041 6.6041 6.8542 6.8542 8.2195 8.2195 9.4390 9.4390 9.6551 9.6551 10.2134 10.2134 11.8896 11.8896 12.3409 12.3409 15.2753 15.2753 17.8331 17.8331 k =-0.5000 0.4521 0.0917 ( 2800 PWs) bands (ev): -0.1375 -0.1375 0.6299 0.6299 3.6970 3.6970 3.7658 3.7658 4.2406 4.2406 4.4487 4.4487 5.0107 5.0107 5.3813 5.3813 5.5945 5.5945 5.8654 5.8654 6.1984 6.1984 6.4419 6.4419 6.5786 6.5786 6.8341 6.8341 8.3267 8.3267 9.5348 9.5348 9.6894 9.6894 10.2250 10.2250 11.8921 11.8921 12.2000 12.2000 15.0753 15.0753 17.7690 17.7690 k =-0.5000 0.4521 0.0786 ( 2800 PWs) bands (ev): -0.1477 -0.1477 0.6329 0.6329 3.7000 3.7000 3.7660 3.7660 4.2397 4.2397 4.4385 4.4385 5.0026 5.0026 5.3856 5.3856 5.5890 5.5890 5.8822 5.8822 6.1963 6.1963 6.4427 6.4427 6.5535 6.5535 6.8187 6.8187 8.4371 8.4371 9.5858 9.5858 9.7463 9.7463 10.2217 10.2217 11.9202 11.9202 12.0683 12.0683 14.8865 14.8865 17.7128 17.7128 k =-0.5000 0.4521 0.0655 ( 2796 PWs) bands (ev): -0.1564 -0.1564 0.6354 0.6354 3.7024 3.7024 3.7663 3.7663 4.2399 4.2399 4.4283 4.4283 4.9960 4.9960 5.3893 5.3893 5.5845 5.5845 5.8990 5.8990 6.1941 6.1941 6.4413 6.4413 6.5310 6.5310 6.8072 6.8072 8.5500 8.5500 9.5805 9.5805 9.8323 9.8323 10.2110 10.2110 11.9187 11.9187 11.9960 11.9960 14.7119 14.7119 17.6647 17.6647 k =-0.5000 0.4521 0.0524 ( 2796 PWs) bands (ev): -0.1636 -0.1636 0.6375 0.6375 3.7041 3.7041 3.7666 3.7666 4.2410 4.2410 4.4187 4.4187 4.9907 4.9907 5.3923 5.3923 5.5811 5.5811 5.9151 5.9151 6.1918 6.1918 6.4370 6.4370 6.5132 6.5132 6.7986 6.7986 8.6642 8.6642 9.5395 9.5395 9.9235 9.9235 10.1998 10.1998 11.8154 11.8154 12.0488 12.0488 14.5556 14.5556 17.6250 17.6250 k =-0.5000 0.4521 0.0393 ( 2804 PWs) bands (ev): -0.1692 -0.1692 0.6391 0.6391 3.7052 3.7052 3.7669 3.7669 4.2426 4.2426 4.4103 4.4103 4.9867 4.9867 5.3947 5.3947 5.5785 5.5785 5.9294 5.9294 6.1895 6.1895 6.4299 6.4299 6.5014 6.5014 6.7925 6.7925 8.7781 8.7781 9.4749 9.4749 10.0059 10.0059 10.1919 10.1919 11.7181 11.7181 12.1131 12.1131 14.4230 14.4230 17.5939 17.5939 k =-0.5000 0.4521 0.0262 ( 2808 PWs) bands (ev): -0.1732 -0.1732 0.6402 0.6402 3.7060 3.7060 3.7672 3.7672 4.2441 4.2441 4.4037 4.4037 4.9839 4.9839 5.3964 5.3964 5.5768 5.5768 5.9409 5.9409 6.1874 6.1874 6.4219 6.4219 6.4948 6.4948 6.7884 6.7884 8.8881 8.8881 9.3960 9.3960 10.0708 10.0708 10.1889 10.1889 11.6411 11.6411 12.1698 12.1698 14.3205 14.3205 17.5716 17.5716 k =-0.5000 0.4521 0.0131 ( 2814 PWs) bands (ev): -0.1756 -0.1756 0.6409 0.6409 3.7063 3.7063 3.7674 3.7674 4.2453 4.2453 4.3994 4.3994 4.9822 4.9822 5.3975 5.3975 5.5758 5.5758 5.9484 5.9484 6.1859 6.1859 6.4159 6.4159 6.4917 6.4917 6.7860 6.7860 8.9842 8.9842 9.3168 9.3168 10.1107 10.1107 10.1904 10.1904 11.5912 11.5912 12.2088 12.2088 14.2552 14.2552 17.5582 17.5582 k =-0.5000 0.4521 0.0000 ( 2818 PWs) bands (ev): -0.1764 -0.1764 0.6411 0.6411 3.7065 3.7065 3.7674 3.7674 4.2458 4.2458 4.3980 4.3980 4.9817 4.9817 5.3978 5.3978 5.5754 5.5754 5.9510 5.9510 6.1854 6.1854 6.4136 6.4136 6.4908 6.4908 6.7852 6.7852 9.0310 9.0310 9.2754 9.2754 10.1234 10.1234 10.1924 10.1924 11.5738 11.5738 12.2228 12.2228 14.2326 14.2326 17.5536 17.5536 k = 0.0000 0.0000 0.4062 ( 2804 PWs) bands (ev): -0.4570 -0.4570 -0.4570 -0.4570 3.7345 3.7345 3.7345 3.7345 3.8225 3.8225 3.8225 3.8225 5.3119 5.3119 5.3119 5.3119 5.6502 5.6502 5.6502 5.6502 6.0830 6.0830 6.0830 6.0830 8.8279 8.8279 8.8279 8.8279 9.6639 9.6639 9.6639 9.6639 10.1036 10.1036 10.1036 10.1036 14.2796 14.2796 14.2796 14.2796 17.3634 17.3634 17.3634 17.3634 k =-0.0096 0.0087 0.4062 ( 2808 PWs) bands (ev): -0.4561 -0.4561 -0.4561 -0.4561 3.7343 3.7343 3.7343 3.7343 3.8226 3.8226 3.8226 3.8226 5.3110 5.3110 5.3110 5.3110 5.6503 5.6503 5.6503 5.6503 6.0829 6.0829 6.0829 6.0829 8.8138 8.8138 8.8138 8.8138 9.6672 9.6672 9.6672 9.6672 10.1167 10.1167 10.1167 10.1167 14.2783 14.2783 14.2783 14.2783 17.3660 17.3660 17.3660 17.3660 k =-0.0192 0.0174 0.4062 ( 2812 PWs) bands (ev): -0.4532 -0.4532 -0.4532 -0.4532 3.7338 3.7338 3.7338 3.7338 3.8228 3.8228 3.8228 3.8228 5.3085 5.3085 5.3085 5.3085 5.6505 5.6505 5.6505 5.6505 6.0827 6.0827 6.0827 6.0827 8.7740 8.7740 8.7740 8.7740 9.6748 9.6748 9.6748 9.6748 10.1557 10.1557 10.1557 10.1557 14.2744 14.2744 14.2744 14.2744 17.3736 17.3736 17.3736 17.3736 k =-0.0288 0.0261 0.4062 ( 2812 PWs) bands (ev): -0.4485 -0.4485 -0.4485 -0.4485 3.7330 3.7330 3.7330 3.7330 3.8231 3.8231 3.8231 3.8231 5.3043 5.3043 5.3043 5.3043 5.6507 5.6507 5.6507 5.6507 6.0824 6.0824 6.0824 6.0824 8.7145 8.7145 8.7145 8.7145 9.6817 9.6817 9.6817 9.6817 10.2194 10.2194 10.2194 10.2194 14.2677 14.2677 14.2677 14.2677 17.3861 17.3861 17.3861 17.3861 k =-0.0385 0.0348 0.4062 ( 2812 PWs) bands (ev): -0.4419 -0.4419 -0.4419 -0.4419 3.7318 3.7318 3.7318 3.7318 3.8235 3.8235 3.8235 3.8235 5.2984 5.2984 5.2984 5.2984 5.6511 5.6511 5.6511 5.6511 6.0819 6.0819 6.0819 6.0819 8.6418 8.6418 8.6418 8.6418 9.6843 9.6843 9.6843 9.6843 10.3050 10.3050 10.3050 10.3050 14.2579 14.2579 14.2579 14.2579 17.4032 17.4032 17.4032 17.4032 k =-0.0481 0.0435 0.4062 ( 2822 PWs) bands (ev): -0.4334 -0.4334 -0.4334 -0.4334 3.7303 3.7303 3.7303 3.7303 3.8241 3.8241 3.8241 3.8241 5.2908 5.2908 5.2908 5.2908 5.6516 5.6516 5.6516 5.6516 6.0814 6.0814 6.0814 6.0814 8.5612 8.5612 8.5612 8.5612 9.6815 9.6815 9.6815 9.6815 10.4082 10.4082 10.4082 10.4082 14.2445 14.2445 14.2445 14.2445 17.4240 17.4240 17.4240 17.4240 k =-0.0577 0.0522 0.4062 ( 2814 PWs) bands (ev): -0.4232 -0.4232 -0.4232 -0.4232 3.7285 3.7285 3.7285 3.7285 3.8248 3.8248 3.8248 3.8248 5.2817 5.2817 5.2817 5.2817 5.6521 5.6521 5.6521 5.6521 6.0809 6.0809 6.0809 6.0809 8.4766 8.4766 8.4766 8.4766 9.6733 9.6733 9.6733 9.6733 10.5248 10.5248 10.5248 10.5248 14.2272 14.2272 14.2272 14.2272 17.4452 17.4452 17.4452 17.4452 k =-0.0673 0.0609 0.4062 ( 2816 PWs) bands (ev): -0.4111 -0.4111 -0.4111 -0.4111 3.7264 3.7264 3.7264 3.7264 3.8257 3.8257 3.8257 3.8257 5.2711 5.2711 5.2711 5.2711 5.6526 5.6526 5.6526 5.6526 6.0803 6.0803 6.0803 6.0803 8.3905 8.3905 8.3905 8.3905 9.6605 9.6605 9.6605 9.6605 10.6513 10.6513 10.6513 10.6513 14.2051 14.2051 14.2051 14.2051 17.4513 17.4513 17.4513 17.4513 k =-0.0769 0.0696 0.4062 ( 2808 PWs) bands (ev): -0.3974 -0.3974 -0.3974 -0.3974 3.7241 3.7241 3.7241 3.7241 3.8267 3.8267 3.8267 3.8267 5.2589 5.2589 5.2589 5.2589 5.6532 5.6532 5.6532 5.6532 6.0798 6.0798 6.0798 6.0798 8.3048 8.3048 8.3048 8.3048 9.6436 9.6436 9.6436 9.6436 10.7850 10.7850 10.7850 10.7850 14.1776 14.1776 14.1776 14.1776 17.4020 17.4020 17.4021 17.4021 k =-0.0865 0.0783 0.4062 ( 2806 PWs) bands (ev): -0.3820 -0.3820 -0.3820 -0.3820 3.7216 3.7216 3.7216 3.7216 3.8279 3.8279 3.8279 3.8279 5.2455 5.2455 5.2455 5.2455 5.6537 5.6537 5.6537 5.6537 6.0793 6.0793 6.0793 6.0793 8.2207 8.2207 8.2207 8.2207 9.6232 9.6232 9.6232 9.6232 10.9236 10.9236 10.9236 10.9236 14.1438 14.1438 14.1438 14.1438 17.3165 17.3165 17.3165 17.3165 k =-0.0962 0.0869 0.4062 ( 2806 PWs) bands (ev): -0.3650 -0.3650 -0.3650 -0.3650 3.7188 3.7188 3.7188 3.7188 3.8293 3.8293 3.8293 3.8293 5.2307 5.2307 5.2307 5.2307 5.6542 5.6542 5.6542 5.6542 6.0790 6.0790 6.0790 6.0790 8.1390 8.1390 8.1390 8.1390 9.5997 9.5997 9.5997 9.5997 11.0654 11.0654 11.0654 11.0654 14.1029 14.1029 14.1029 14.1029 17.2246 17.2246 17.2246 17.2246 k =-0.1058 0.0956 0.4062 ( 2810 PWs) bands (ev): -0.3464 -0.3464 -0.3464 -0.3464 3.7158 3.7158 3.7158 3.7158 3.8309 3.8309 3.8309 3.8309 5.2147 5.2147 5.2147 5.2147 5.6546 5.6546 5.6546 5.6546 6.0788 6.0788 6.0788 6.0788 8.0603 8.0603 8.0603 8.0603 9.5734 9.5734 9.5734 9.5734 11.2088 11.2088 11.2088 11.2088 14.0540 14.0540 14.0540 14.0540 17.1356 17.1356 17.1356 17.1356 k =-0.1154 0.1043 0.4062 ( 2818 PWs) bands (ev): -0.3265 -0.3265 -0.3265 -0.3265 3.7127 3.7127 3.7127 3.7127 3.8327 3.8327 3.8327 3.8327 5.1978 5.1978 5.1978 5.1978 5.6549 5.6549 5.6549 5.6549 6.0789 6.0789 6.0789 6.0789 7.9850 7.9850 7.9850 7.9850 9.5446 9.5446 9.5446 9.5446 11.3524 11.3524 11.3524 11.3524 13.9967 13.9967 13.9967 13.9967 17.0535 17.0535 17.0535 17.0535 k =-0.1250 0.1130 0.4062 ( 2820 PWs) bands (ev): -0.3052 -0.3052 -0.3052 -0.3052 3.7094 3.7094 3.7094 3.7094 3.8349 3.8349 3.8349 3.8349 5.1800 5.1800 5.1800 5.1800 5.6551 5.6551 5.6551 5.6551 6.0791 6.0791 6.0791 6.0791 7.9133 7.9133 7.9133 7.9133 9.5135 9.5135 9.5135 9.5135 11.4945 11.4945 11.4945 11.4945 13.9306 13.9306 13.9306 13.9306 16.9817 16.9817 16.9817 16.9817 k =-0.1346 0.1217 0.4062 ( 2824 PWs) bands (ev): -0.2827 -0.2827 -0.2827 -0.2827 3.7060 3.7060 3.7060 3.7060 3.8374 3.8374 3.8374 3.8374 5.1616 5.1616 5.1616 5.1616 5.6552 5.6552 5.6552 5.6552 6.0797 6.0797 6.0797 6.0797 7.8454 7.8454 7.8454 7.8454 9.4804 9.4804 9.4804 9.4804 11.6333 11.6333 11.6333 11.6333 13.8560 13.8560 13.8560 13.8560 16.9224 16.9224 16.9224 16.9224 k =-0.1442 0.1304 0.4062 ( 2812 PWs) bands (ev): -0.2591 -0.2591 -0.2591 -0.2591 3.7025 3.7025 3.7025 3.7025 3.8404 3.8404 3.8404 3.8404 5.1426 5.1426 5.1426 5.1426 5.6552 5.6552 5.6552 5.6552 6.0806 6.0806 6.0806 6.0806 7.7813 7.7813 7.7813 7.7813 9.4454 9.4454 9.4454 9.4454 11.7666 11.7666 11.7666 11.7666 13.7743 13.7743 13.7743 13.7743 16.8775 16.8775 16.8775 16.8775 k =-0.1538 0.1391 0.4062 ( 2824 PWs) bands (ev): -0.2344 -0.2344 -0.2344 -0.2344 3.6989 3.6989 3.6989 3.6989 3.8438 3.8438 3.8438 3.8438 5.1234 5.1234 5.1234 5.1234 5.6550 5.6550 5.6550 5.6550 6.0819 6.0819 6.0819 6.0819 7.7210 7.7210 7.7210 7.7210 9.4088 9.4088 9.4088 9.4088 11.8911 11.8911 11.8911 11.8911 13.6876 13.6876 13.6876 13.6876 16.8482 16.8482 16.8482 16.8482 k =-0.1635 0.1478 0.4062 ( 2816 PWs) bands (ev): -0.2088 -0.2088 -0.2088 -0.2088 3.6952 3.6952 3.6952 3.6952 3.8478 3.8478 3.8478 3.8478 5.1042 5.1042 5.1042 5.1042 5.6547 5.6547 5.6547 5.6547 6.0835 6.0835 6.0835 6.0835 7.6644 7.6644 7.6644 7.6644 9.3706 9.3706 9.3706 9.3706 12.0029 12.0029 12.0029 12.0029 13.5999 13.5999 13.5999 13.5999 16.8353 16.8353 16.8353 16.8353 k =-0.1731 0.1565 0.4062 ( 2812 PWs) bands (ev): -0.1826 -0.1826 -0.1826 -0.1826 3.6915 3.6915 3.6915 3.6915 3.8525 3.8525 3.8525 3.8525 5.0852 5.0852 5.0852 5.0852 5.6544 5.6544 5.6544 5.6544 6.0854 6.0854 6.0854 6.0854 7.6114 7.6114 7.6114 7.6114 9.3312 9.3312 9.3312 9.3312 12.0958 12.0958 12.0958 12.0958 13.5173 13.5173 13.5173 13.5173 16.8393 16.8393 16.8393 16.8393 k =-0.1827 0.1652 0.4062 ( 2820 PWs) bands (ev): -0.1556 -0.1556 -0.1556 -0.1556 3.6878 3.6878 3.6878 3.6878 3.8580 3.8580 3.8580 3.8580 5.0666 5.0666 5.0666 5.0666 5.6539 5.6539 5.6539 5.6539 6.0878 6.0878 6.0878 6.0878 7.5618 7.5618 7.5618 7.5618 9.2907 9.2907 9.2907 9.2907 12.1616 12.1616 12.1616 12.1616 13.4483 13.4483 13.4483 13.4483 16.8599 16.8599 16.8599 16.8599 k =-0.1923 0.1739 0.4062 ( 2816 PWs) bands (ev): -0.1283 -0.1283 -0.1283 -0.1283 3.6841 3.6841 3.6841 3.6841 3.8643 3.8643 3.8643 3.8643 5.0487 5.0487 5.0487 5.0487 5.6533 5.6533 5.6533 5.6533 6.0905 6.0905 6.0905 6.0905 7.5156 7.5156 7.5156 7.5156 9.2491 9.2491 9.2491 9.2491 12.1909 12.1909 12.1909 12.1909 13.4028 13.4028 13.4028 13.4028 16.8970 16.8970 16.8970 16.8970 k =-0.2019 0.1826 0.4062 ( 2816 PWs) bands (ev): -0.1006 -0.1006 -0.1006 -0.1006 3.6805 3.6805 3.6805 3.6805 3.8717 3.8717 3.8717 3.8717 5.0317 5.0317 5.0317 5.0317 5.6527 5.6527 5.6527 5.6527 6.0936 6.0936 6.0936 6.0936 7.4725 7.4725 7.4725 7.4725 9.2068 9.2068 9.2068 9.2068 12.1763 12.1763 12.1763 12.1763 13.3890 13.3890 13.3890 13.3890 16.9500 16.9500 16.9500 16.9500 k =-0.2115 0.1913 0.4062 ( 2816 PWs) bands (ev): -0.0728 -0.0728 -0.0728 -0.0728 3.6769 3.6769 3.6769 3.6769 3.8801 3.8801 3.8801 3.8801 5.0159 5.0159 5.0159 5.0159 5.6520 5.6520 5.6520 5.6520 6.0971 6.0971 6.0971 6.0971 7.4324 7.4324 7.4324 7.4324 9.1639 9.1639 9.1639 9.1639 12.1171 12.1171 12.1171 12.1171 13.4082 13.4082 13.4082 13.4082 17.0183 17.0183 17.0183 17.0183 k =-0.2212 0.2000 0.4062 ( 2812 PWs) bands (ev): -0.0449 -0.0449 -0.0449 -0.0449 3.6735 3.6735 3.6735 3.6735 3.8898 3.8898 3.8898 3.8898 5.0013 5.0013 5.0013 5.0013 5.6513 5.6513 5.6513 5.6513 6.1010 6.1010 6.1010 6.1010 7.3950 7.3950 7.3950 7.3950 9.1204 9.1204 9.1204 9.1204 12.0195 12.0195 12.0195 12.0195 13.4547 13.4547 13.4547 13.4547 17.1013 17.1013 17.1013 17.1013 k =-0.2308 0.2087 0.4062 ( 2816 PWs) bands (ev): -0.0172 -0.0172 -0.0172 -0.0172 3.6701 3.6701 3.6702 3.6702 3.9008 3.9008 3.9008 3.9008 4.9883 4.9883 4.9883 4.9883 5.6506 5.6506 5.6506 5.6506 6.1052 6.1052 6.1052 6.1052 7.3602 7.3602 7.3602 7.3602 9.0767 9.0767 9.0767 9.0767 11.8930 11.8930 11.8930 11.8930 13.5201 13.5201 13.5201 13.5201 17.1981 17.1981 17.1981 17.1981 k =-0.2404 0.2174 0.4062 ( 2812 PWs) bands (ev): 0.0101 0.0101 0.0101 0.0101 3.6670 3.6670 3.6670 3.6670 3.9132 3.9132 3.9132 3.9132 4.9770 4.9770 4.9770 4.9770 5.6499 5.6499 5.6499 5.6499 6.1098 6.1098 6.1098 6.1098 7.3278 7.3278 7.3278 7.3278 9.0327 9.0327 9.0327 9.0327 11.7459 11.7459 11.7459 11.7459 13.5968 13.5968 13.5968 13.5968 17.3079 17.3079 17.3079 17.3079 k =-0.2500 0.2261 0.4062 ( 2812 PWs) bands (ev): 0.0370 0.0370 0.0370 0.0370 3.6640 3.6640 3.6640 3.6640 3.9272 3.9272 3.9272 3.9272 4.9676 4.9676 4.9676 4.9676 5.6494 5.6494 5.6494 5.6494 6.1147 6.1147 6.1147 6.1147 7.2975 7.2975 7.2975 7.2975 8.9887 8.9887 8.9887 8.9887 11.5844 11.5844 11.5844 11.5844 13.6791 13.6791 13.6791 13.6791 17.4296 17.4296 17.4296 17.4296 k =-0.2596 0.2348 0.4062 ( 2806 PWs) bands (ev): 0.0633 0.0633 0.0633 0.0633 3.6613 3.6613 3.6613 3.6613 3.9428 3.9428 3.9428 3.9428 4.9601 4.9601 4.9601 4.9601 5.6489 5.6489 5.6489 5.6489 6.1200 6.1200 6.1200 6.1200 7.2693 7.2693 7.2693 7.2693 8.9449 8.9449 8.9449 8.9449 11.4130 11.4130 11.4130 11.4130 13.7634 13.7634 13.7634 13.7634 17.5622 17.5622 17.5622 17.5622 k =-0.2692 0.2435 0.4062 ( 2802 PWs) bands (ev): 0.0889 0.0889 0.0889 0.0889 3.6587 3.6587 3.6587 3.6587 3.9600 3.9600 3.9600 3.9600 4.9549 4.9549 4.9549 4.9549 5.6487 5.6487 5.6487 5.6487 6.1257 6.1257 6.1257 6.1257 7.2430 7.2430 7.2430 7.2430 8.9013 8.9013 8.9013 8.9013 11.2347 11.2347 11.2347 11.2347 13.8475 13.8475 13.8475 13.8475 17.7045 17.7045 17.7045 17.7045 k =-0.2788 0.2521 0.4062 ( 2802 PWs) bands (ev): 0.1135 0.1135 0.1135 0.1135 3.6564 3.6564 3.6564 3.6564 3.9789 3.9789 3.9789 3.9789 4.9520 4.9520 4.9520 4.9520 5.6488 5.6488 5.6488 5.6488 6.1317 6.1317 6.1317 6.1317 7.2184 7.2184 7.2184 7.2184 8.8581 8.8581 8.8581 8.8581 11.0518 11.0518 11.0518 11.0518 13.9299 13.9299 13.9299 13.9299 17.8549 17.8549 17.8549 17.8549 k =-0.2885 0.2608 0.4062 ( 2802 PWs) bands (ev): 0.1371 0.1371 0.1371 0.1371 3.6543 3.6543 3.6543 3.6543 3.9995 3.9995 3.9995 3.9995 4.9515 4.9515 4.9515 4.9515 5.6493 5.6493 5.6493 5.6493 6.1380 6.1380 6.1380 6.1380 7.1953 7.1953 7.1953 7.1953 8.8154 8.8154 8.8154 8.8154 10.8658 10.8658 10.8658 10.8658 14.0098 14.0098 14.0098 14.0098 18.0119 18.0119 18.0119 18.0119 k =-0.2981 0.2695 0.4062 ( 2798 PWs) bands (ev): 0.1597 0.1597 0.1597 0.1597 3.6524 3.6524 3.6524 3.6524 4.0216 4.0216 4.0216 4.0216 4.9536 4.9536 4.9536 4.9536 5.6502 5.6502 5.6502 5.6502 6.1447 6.1447 6.1447 6.1447 7.1737 7.1737 7.1737 7.1737 8.7734 8.7734 8.7734 8.7734 10.6780 10.6780 10.6780 10.6780 14.0865 14.0865 14.0865 14.0865 18.1733 18.1733 18.1733 18.1733 k =-0.3077 0.2782 0.4062 ( 2790 PWs) bands (ev): 0.1810 0.1810 0.1810 0.1810 3.6508 3.6508 3.6508 3.6508 4.0452 4.0452 4.0452 4.0452 4.9583 4.9583 4.9583 4.9583 5.6518 5.6518 5.6518 5.6518 6.1517 6.1517 6.1517 6.1517 7.1534 7.1534 7.1534 7.1534 8.7321 8.7321 8.7321 8.7321 10.4894 10.4894 10.4894 10.4894 14.1599 14.1599 14.1599 14.1599 18.3367 18.3367 18.3367 18.3367 k =-0.3173 0.2869 0.4062 ( 2792 PWs) bands (ev): 0.2011 0.2011 0.2011 0.2011 3.6494 3.6494 3.6494 3.6494 4.0701 4.0701 4.0701 4.0701 4.9657 4.9657 4.9657 4.9657 5.6542 5.6542 5.6542 5.6542 6.1592 6.1592 6.1592 6.1592 7.1343 7.1343 7.1343 7.1343 8.6916 8.6916 8.6916 8.6916 10.3008 10.3008 10.3008 10.3008 14.2298 14.2298 14.2298 14.2298 18.4987 18.4987 18.4987 18.4987 k =-0.3269 0.2956 0.4062 ( 2792 PWs) bands (ev): 0.2199 0.2199 0.2199 0.2199 3.6482 3.6482 3.6482 3.6482 4.0960 4.0960 4.0960 4.0960 4.9759 4.9759 4.9759 4.9759 5.6575 5.6575 5.6575 5.6575 6.1670 6.1670 6.1670 6.1670 7.1163 7.1163 7.1163 7.1163 8.6521 8.6521 8.6521 8.6521 10.1130 10.1130 10.1130 10.1130 14.2961 14.2961 14.2961 14.2961 18.6550 18.6550 18.6550 18.6550 k =-0.3365 0.3043 0.4062 ( 2796 PWs) bands (ev): 0.2373 0.2373 0.2373 0.2373 3.6472 3.6472 3.6472 3.6472 4.1225 4.1225 4.1225 4.1225 4.9890 4.9890 4.9890 4.9890 5.6621 5.6621 5.6621 5.6621 6.1753 6.1753 6.1753 6.1753 7.0993 7.0993 7.0993 7.0993 8.6135 8.6135 8.6135 8.6135 9.9267 9.9267 9.9267 9.9267 14.3588 14.3588 14.3588 14.3588 18.8003 18.8003 18.8003 18.8003 k =-0.3462 0.3130 0.4062 ( 2796 PWs) bands (ev): 0.2534 0.2534 0.2534 0.2534 3.6463 3.6463 3.6463 3.6463 4.1495 4.1495 4.1495 4.1495 5.0047 5.0047 5.0047 5.0047 5.6681 5.6681 5.6681 5.6681 6.1842 6.1842 6.1842 6.1842 7.0832 7.0832 7.0832 7.0832 8.5760 8.5760 8.5760 8.5760 9.7424 9.7424 9.7424 9.7424 14.4181 14.4181 14.4181 14.4181 18.9288 18.9288 18.9288 18.9288 k =-0.3558 0.3217 0.4062 ( 2792 PWs) bands (ev): 0.2681 0.2681 0.2681 0.2681 3.6457 3.6457 3.6457 3.6457 4.1765 4.1765 4.1765 4.1765 5.0231 5.0231 5.0231 5.0231 5.6760 5.6760 5.6760 5.6760 6.1937 6.1937 6.1937 6.1937 7.0679 7.0679 7.0679 7.0679 8.5394 8.5394 8.5394 8.5394 9.5608 9.5608 9.5608 9.5608 14.4738 14.4738 14.4738 14.4738 19.0357 19.0357 19.0357 19.0357 k =-0.3654 0.3304 0.4062 ( 2796 PWs) bands (ev): 0.2815 0.2815 0.2815 0.2815 3.6451 3.6451 3.6451 3.6451 4.2030 4.2030 4.2030 4.2030 5.0438 5.0438 5.0438 5.0438 5.6860 5.6860 5.6860 5.6860 6.2039 6.2039 6.2039 6.2039 7.0533 7.0533 7.0533 7.0533 8.5036 8.5036 8.5036 8.5036 9.3828 9.3828 9.3828 9.3828 14.5261 14.5261 14.5261 14.5261 19.1187 19.1187 19.1187 19.1187 k =-0.3750 0.3391 0.4062 ( 2802 PWs) bands (ev): 0.2936 0.2936 0.2936 0.2936 3.6447 3.6447 3.6447 3.6447 4.2288 4.2288 4.2288 4.2288 5.0665 5.0665 5.0665 5.0665 5.6987 5.6987 5.6987 5.6987 6.2151 6.2151 6.2151 6.2151 7.0393 7.0393 7.0393 7.0393 8.4684 8.4684 8.4684 8.4684 9.2092 9.2092 9.2092 9.2092 14.5749 14.5749 14.5749 14.5749 19.1798 19.1798 19.1798 19.1798 k =-0.3846 0.3478 0.4062 ( 2802 PWs) bands (ev): 0.3044 0.3044 0.3044 0.3044 3.6444 3.6444 3.6444 3.6444 4.2534 4.2534 4.2534 4.2534 5.0905 5.0905 5.0905 5.0905 5.7143 5.7143 5.7143 5.7143 6.2274 6.2274 6.2274 6.2274 7.0258 7.0258 7.0258 7.0258 8.4330 8.4330 8.4330 8.4330 9.0414 9.0414 9.0414 9.0414 14.6203 14.6203 14.6203 14.6203 19.2231 19.2231 19.2231 19.2231 k =-0.3942 0.3565 0.4062 ( 2798 PWs) bands (ev): 0.3140 0.3140 0.3140 0.3140 3.6442 3.6442 3.6442 3.6442 4.2765 4.2765 4.2765 4.2765 5.1151 5.1151 5.1151 5.1151 5.7332 5.7332 5.7332 5.7332 6.2413 6.2413 6.2413 6.2413 7.0127 7.0127 7.0127 7.0127 8.3960 8.3960 8.3960 8.3960 8.8814 8.8814 8.8814 8.8814 14.6623 14.6623 14.6623 14.6623 19.2532 19.2532 19.2532 19.2532 k =-0.4038 0.3652 0.4062 ( 2798 PWs) bands (ev): 0.3225 0.3225 0.3225 0.3225 3.6441 3.6441 3.6441 3.6441 4.2979 4.2979 4.2979 4.2979 5.1396 5.1396 5.1396 5.1396 5.7556 5.7556 5.7556 5.7556 6.2571 6.2571 6.2571 6.2571 6.9997 6.9997 6.9997 6.9997 8.3543 8.3543 8.3543 8.3543 8.7333 8.7333 8.7333 8.7333 14.7008 14.7008 14.7008 14.7008 19.2741 19.2741 19.2741 19.2741 k =-0.4135 0.3739 0.4062 ( 2798 PWs) bands (ev): 0.3299 0.3299 0.3299 0.3299 3.6440 3.6440 3.6440 3.6440 4.3174 4.3174 4.3174 4.3174 5.1631 5.1631 5.1631 5.1631 5.7813 5.7813 5.7813 5.7813 6.2756 6.2756 6.2756 6.2756 6.9867 6.9867 6.9867 6.9867 8.3015 8.3015 8.3015 8.3015 8.6043 8.6043 8.6043 8.6043 14.7358 14.7358 14.7358 14.7358 19.2887 19.2887 19.2887 19.2887 k =-0.4231 0.3826 0.4062 ( 2802 PWs) bands (ev): 0.3363 0.3363 0.3363 0.3363 3.6440 3.6440 3.6440 3.6440 4.3349 4.3349 4.3349 4.3349 5.1849 5.1849 5.1849 5.1849 5.8098 5.8098 5.8098 5.8098 6.2974 6.2974 6.2974 6.2974 6.9734 6.9734 6.9734 6.9734 8.2280 8.2280 8.2280 8.2280 8.5050 8.5050 8.5050 8.5050 14.7673 14.7673 14.7673 14.7673 19.2990 19.2990 19.2990 19.2990 k =-0.4327 0.3913 0.4062 ( 2808 PWs) bands (ev): 0.3418 0.3418 0.3418 0.3418 3.6440 3.6440 3.6440 3.6440 4.3503 4.3503 4.3503 4.3503 5.2044 5.2044 5.2044 5.2044 5.8399 5.8399 5.8399 5.8399 6.3234 6.3234 6.3234 6.3234 6.9592 6.9592 6.9592 6.9592 8.1315 8.1315 8.1315 8.1315 8.4393 8.4393 8.4393 8.4393 14.7952 14.7952 14.7952 14.7952 19.3063 19.3063 19.3063 19.3063 k =-0.4423 0.4000 0.4062 ( 2808 PWs) bands (ev): 0.3464 0.3464 0.3464 0.3464 3.6440 3.6440 3.6440 3.6440 4.3636 4.3636 4.3636 4.3636 5.2212 5.2212 5.2212 5.2212 5.8701 5.8701 5.8701 5.8701 6.3544 6.3544 6.3544 6.3544 6.9438 6.9438 6.9438 6.9438 8.0231 8.0231 8.0231 8.0231 8.3977 8.3977 8.3977 8.3977 14.8196 14.8196 14.8196 14.8196 19.3117 19.3117 19.3117 19.3117 k =-0.4519 0.4087 0.4062 ( 2808 PWs) bands (ev): 0.3501 0.3501 0.3501 0.3501 3.6440 3.6440 3.6440 3.6440 4.3748 4.3748 4.3748 4.3748 5.2352 5.2352 5.2352 5.2352 5.8986 5.8986 5.8986 5.8986 6.3908 6.3908 6.3908 6.3908 6.9264 6.9264 6.9264 6.9264 7.9153 7.9153 7.9153 7.9153 8.3700 8.3700 8.3700 8.3700 14.8403 14.8403 14.8403 14.8403 19.3156 19.3156 19.3156 19.3156 k =-0.4615 0.4173 0.4062 ( 2804 PWs) bands (ev): 0.3531 0.3531 0.3531 0.3531 3.6441 3.6441 3.6441 3.6441 4.3839 4.3839 4.3839 4.3839 5.2464 5.2464 5.2464 5.2464 5.9237 5.9237 5.9237 5.9237 6.4323 6.4323 6.4323 6.4323 6.9065 6.9065 6.9065 6.9065 7.8165 7.8165 7.8165 7.8165 8.3505 8.3505 8.3505 8.3505 14.8573 14.8573 14.8573 14.8573 19.3184 19.3184 19.3184 19.3184 k =-0.4712 0.4260 0.4062 ( 2804 PWs) bands (ev): 0.3554 0.3554 0.3554 0.3554 3.6441 3.6441 3.6441 3.6441 4.3909 4.3909 4.3909 4.3909 5.2548 5.2548 5.2548 5.2548 5.9441 5.9441 5.9441 5.9441 6.4767 6.4767 6.4767 6.4767 6.8838 6.8838 6.8838 6.8838 7.7328 7.7328 7.7328 7.7328 8.3367 8.3367 8.3367 8.3367 14.8705 14.8705 14.8705 14.8705 19.3204 19.3204 19.3204 19.3204 k =-0.4808 0.4347 0.4062 ( 2800 PWs) bands (ev): 0.3570 0.3570 0.3570 0.3570 3.6442 3.6442 3.6442 3.6442 4.3959 4.3959 4.3959 4.3959 5.2608 5.2608 5.2608 5.2608 5.9589 5.9589 5.9589 5.9589 6.5197 6.5197 6.5197 6.5197 6.8596 6.8596 6.8596 6.8596 7.6689 7.6689 7.6689 7.6689 8.3273 8.3273 8.3273 8.3273 14.8800 14.8800 14.8800 14.8800 19.3218 19.3218 19.3218 19.3218 k =-0.4904 0.4434 0.4062 ( 2800 PWs) bands (ev): 0.3580 0.3580 0.3580 0.3580 3.6442 3.6442 3.6442 3.6442 4.3989 4.3989 4.3989 4.3989 5.2642 5.2642 5.2642 5.2642 5.9678 5.9678 5.9678 5.9678 6.5534 6.5534 6.5534 6.5534 6.8389 6.8389 6.8389 6.8389 7.6287 7.6287 7.6287 7.6287 8.3219 8.3219 8.3219 8.3219 14.8857 14.8857 14.8857 14.8857 19.3226 19.3226 19.3226 19.3226 k =-0.5000 0.4521 0.4062 ( 2796 PWs) bands (ev): 0.3583 0.3583 0.3583 0.3583 3.6442 3.6442 3.6442 3.6442 4.3999 4.3999 4.3999 4.3999 5.2654 5.2654 5.2654 5.2654 5.9708 5.9708 5.9708 5.9708 6.5668 6.5668 6.5668 6.5668 6.8301 6.8301 6.8301 6.8301 7.6151 7.6151 7.6151 7.6151 8.3201 8.3201 8.3201 8.3201 14.8876 14.8876 14.8876 14.8876 19.3229 19.3229 19.3229 19.3229 Writing output data file HgTe.save init_run : 0.27s CPU 0.42s WALL ( 1 calls) electrons : 211.24s CPU 214.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 211.22s CPU 214.85s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.05s WALL ( 426 calls) cegterg : 199.94s CPU 203.00s WALL ( 887 calls) Called by sum_band: Called by *egterg: h_psi : 109.32s CPU 111.40s WALL ( 13973 calls) s_psi : 7.75s CPU 8.03s WALL ( 13973 calls) g_psi : 0.28s CPU 0.31s WALL ( 12660 calls) cdiaghg : 71.56s CPU 72.51s WALL ( 13086 calls) cegterg:over : 7.22s CPU 7.21s WALL ( 12660 calls) cegterg:upda : 4.96s CPU 4.99s WALL ( 12660 calls) cegterg:last : 3.43s CPU 3.43s WALL ( 2591 calls) cdiaghg:chol : 3.84s CPU 3.88s WALL ( 13086 calls) cdiaghg:inve : 2.16s CPU 2.28s WALL ( 13086 calls) cdiaghg:para : 4.10s CPU 4.07s WALL ( 26172 calls) Called by h_psi: h_psi:vloc : 92.61s CPU 94.49s WALL ( 13973 calls) h_psi:vnl : 16.44s CPU 16.66s WALL ( 13973 calls) add_vuspsi : 9.30s CPU 9.21s WALL ( 13973 calls) General routines calbec : 7.09s CPU 7.41s WALL ( 13973 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.75s CPU 87.56s WALL ( 1367468 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.26s WALL ( 852 calls) Parallel routines fft_scatter : 33.62s CPU 34.18s WALL ( 1367491 calls) PWSCF : 3m45.82s CPU 4m 1.96s WALL This run was terminated on: 19:49:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=